bluuebunny/crossref_metadata_2025 huggingface dataset:
Emulator-based Bayesian optimization for efficient multi-objective calibration of an individual-based model of malaria
Authors: Reiker Theresa , Golumbeanu Monica , Shattock Andrew , Burgert Lydia , Smith Thomas A. , Filippi Sarah , Cameron Ewan , Penny Melissa A.
Published: December 2021

Individual-based models have become important tools in the global battle against infectious diseases, yet model complexity can make calibration to biological and epidemiological data challenging. We propose using a Bayesian optimization framework employing Gaussian process or machine learning emulator functions to calibrate a complex malaria transmission simulator. We demonstrate our approach by optimizing over a high-dimensional parameter space with respect to a portfolio of multiple fitting objectives built from datasets capturing the natural history of malaria transmission and disease progression. Our approach quickly outperforms previous calibrations, yielding an improved final goodness of fit. Per-objective parameter importance and sensitivity diagnostics provided by our approach offer epidemiological insights and enhance trust in predictions through greater interpretability.
Correlated states in doubly-aligned hBN/graphene/hBN heterostructures
Authors: Sun Xingdan , Zhang Shihao , Liu Zhiyong , Zhu Honglei , Huang Jinqiang , Yuan Kai , Wang Zhenhua , Watanabe Kenji , Taniguchi Takashi , Li Xiaoxi , Zhu Mengjian , Mao Jinhai , Yang Teng , Kang Jun , Liu Jianpeng , Ye Yu , Han Zheng Vitto , Zhang Zhidong
Published: December 2021

Interfacial moiré superlattices in van der Waals vertical assemblies effectively reconstruct the crystal symmetry, leading to opportunities for investigating exotic quantum states. Notably, a two-dimensional nanosheet has top and bottom open surfaces, allowing the specific case of doubly aligned super-moiré lattice to serve as a toy model for studying the tunable lattice symmetry and the complexity of related electronic structures. Here, we show that by doubly aligning a graphene monolayer to both top and bottom encapsulating hexagonal boron nitride (h-BN), multiple conductivity minima are observed away from the main Dirac point, which are sensitively tunable with respect to the small twist angles. Moreover, our experimental evidences together with theoretical calculations suggest correlated insulating states at integer fillings of −5, −6, −7 electrons per moiré unit cell, possibly due to inter-valley coherence. Our results provide a way to construct intriguing correlations in 2D electronic systems in the weak interaction regime.
Electroresistance in multipolar antiferroelectric Cu2Se semiconductor
Authors: Bai Hui , Wu Jinsong , Su Xianli , Peng Haoyang , Li Zhi , Yang Dongwang , Zhang Qingjie , Uher Ctirad , Tang Xinfeng
Published: December 2021

Electric field-induced changes in the electrical resistance of a material are considered essential and enabling processes for future efficient large-scale computations. However, the underlying physical mechanisms of electroresistance are currently remain largely unknown. Herein, an electrically reversible resistance change has been observed in the thermoelectric α-Cu2Se. The spontaneous electric dipoles formed by Cu+ ions displaced from their positions at the centers of Se-tetrahedrons in the ordered α-Cu2Se phase are examined, and α-Cu2Se phase is identified to be a multipolar antiferroelectric semiconductor. When exposed to the applied voltage, a reversible switching of crystalline domains aligned parallel to the polar axis results in an observed reversible resistance change. The study expands on opportunities for semiconductors with localized polar symmetry as the hardware basis for future computational architectures.
Divergent functionalization of aldehydes photocatalyzed by neutral eosin Y with sulfone reagents
Authors: Yan Jianming , Tang Haidi , Kuek Eugene Jun Rong , Shi Xiangcheng , Liu Chenguang , Zhang Muliang , Piper Jared L. , Duan Shengquan , Wu Jie
Published: December 2021

While aldehydes represent a classic class of electrophilic synthons, the corresponding acyl radicals are inherently nucleophilic, which exhibits umpolung reactivity. Generation of acyl radicals typically requires noble metal catalysts or excess oxidants to be added. Herein, we report a convenient and green approach to access acyl radicals, capitalizing on neutral eosin Y-enabled hydrogen atom transfer (HAT) photocatalysis with aldehydes. The generated acyl radicals underwent SOMOphilic substitutions with various functionalized sulfones (X–SO2R’) to deliver value-added acyl products. The merger of eosin Y photocatalysis and sulfone-based SOMOphiles provides a versatile platform for a wide array of aldehydic C–H functionalizations, including fluoromethylthiolation, arylthiolation, alkynylation, alkenylation and azidation. The present protocol features green characteristics, such as being free of metals, harmful oxidants and additives; step-economic; redox-neutral; and amenable to scale-up assisted by continuous-flow technology.
Systematic analysis of PINK1 variants of unknown significance shows intact mitophagy function for most variants
Authors: Ma Kai Yu , Fokkens Michiel R. , van Laar Teus , Verbeek Dineke S.
Published: December 2021

Pathogenic variants inPINK1cause early-onset Parkinson’s disease. Although manyPINK1variants have been reported, the clinical significance is uncertain for the majority of them. To gain insights into the consequences ofPINK1missense variants in a systematic manner, we selected 50PINK1missense variants from patient- and population-wide databases and systematically classified them using Sherloc, a comprehensive framework for variant interpretation based on ACMG-AMP guidelines. We then performed functional experiments, including mitophagy and Parkin recruitment assays, to assess the downstream consequences ofPINK1variants. Analysis ofPINK1missense variants based on Sherloc showed that the patient databases over-annotate variants aslikely pathogenic. Furthermore, our study shows thatpathogenic PINK1variants are most often linked to a loss-of-function for mitophagy and Parkin recruitment, while this is not observed for variants of unknown significance. In addition to the Sherloc framework, the added layer of evidence of our functional tests suggests a reclassification of 9/50 missense variants. In conclusion, we suggest the assessment of multiple layers of evidence, including functional data on top of available clinical and population-based data, to support the clinical classification of a variant and show that the presence of a missense variant inPINK1in a Parkinson’s disease case does not automatically imply pathogenicity.
A longitudinal analysis of collapsibility with predictions over the southeastern Loess Plateau in China
Authors: Zheng Ziyu , Li Xi-an , Wang Li
Published: December 2021

Loess presents very unique collapsible behaviour due to its special under-compactness, weak cementation and porousness. Many environmental issues and geological hazards including subgrade subsidences, slope collapses or failures, building cracking and so on are directly caused by the collapsible deformation of loess. Such collapsible behaviour may also severe accidents due to sinkholes, underground caves or loess gullies. Moreover, with the increasing demand of construction and development in the loess areas, an in-depth research towards effective evaluation of loess collapsibility is urged. Currently no studies have made attempts to explore a rather complete and representative area of Loess Plateau. This paper thus provides a novel approach on spatial modelling over Jin-Shan Loess Plateau as an extension to experimental studies. The in-lab experiment results have shown that shown that the porosity ratio and collapsibility follow a Gaussian distribution and a Gamma distribution respectively for both sampling areas: Yan’an and Lv Liang. This establishes the prior intuition towards spatial modelling which provides insights of potential influential factors on loess collapsibility and further sets a potential direction of the loess studies by considering an extra dimension of spatial correlation. Such modelling allows robust predictions taken into account of longitudinal information as well as structural parameters and basic physical properties. Water contents, dry densities, pressure levels and elevations of samples are determined to be statistically significant factors which affect the loess collapsibility. All regions in Lv Liang area are at risk of high collapsibility with average around 0.03, out of which roughly a third of them are predicted to be at high risk. Clear spatial patterns of higher expected collapsibility in the southwest comparing to the northeast are shown adjusting for influential covariates. On reference guidelines for potential policy makings, county-level regions with the highest expected loess collapsibility are also identified.
The role of calcium oscillations in the phenotype selection in endothelial cells
Authors: Debir Birses , Meaney Cameron , Kohandel Mohammad , Unlu M. Burcin
Published: December 2021

Angiogenesis is an important process in the formation and maintenance of tissues which is driven by a complex system of intracellular and intercellular signaling mechanisms. Endothelial cells taking part in early angiogenesis must select their phenotype as either a tip cells (leading, migratory) or a stalk cells (following). Recent experiments have demonstrated that rapid calcium oscillations within active cells characterize this phenotype selection process and that these oscillations play a necessary role in governing phenotype selection and eventual vessel architecture. In this work, we develop a mathematical model capable of describing these oscillations and their role in phenotype selection then use it to improve our understanding of the biological mechanisms at play. We developed a model based on two previously published and experimentally validated mathematical models of calcium and angiogenesis then use our resulting model to simulate various multi-cell scenarios. We are able to capture essential calcium oscillation dynamics and intercellular communication between neighboring cells. The results of our model show that although the late DLL4 (a transmembrane protein that activates Notch pathway) levels of a cell are connected with its initial IP3 (Inositol 1,4,5-trisphosphate) level, cell-to-cell communication determines its eventual phenotype.
Fetal abdominal overgrowth is already present at 20–24 gestational weeks prior to diagnosis of gestational diabetes mellitus
Authors: Kim Wonjin , Park Soo Kyung , Kim Yoo Lee
Published: December 2021

Fetal abdominal obesity (FAO) was detected at the time of gestational diabetes mellitus (GDM) diagnosis at 24–28 gestational weeks (GW) in older (≥ 35 years) and/or obese (≥ body mass index 25 kg/m2) women and persisted until delivery. We investigated whether FAO is already present at 20–24 GW. Medical records of 7820 singleton pregnancy including 384 GDM were reviewed. Fetal abdominal overgrowth was assessed by the fetal abdominal overgrowth ratios (FAORs) of the ultrasonographically estimated gestational age (GA) of abdominal circumference per actual GA by the last menstruation period, biparietal diameter or femur length, respectively. FAO was defined as FAOR ≥ 90th percentile. FAORs measured at 20–24 GW in older and/or obese but not in young and non-obese GDM subjects were significantly higher than those in NGT subjects. Relative to NGT subjects without FAO at 20–24 GW, odds ratios for exhibiting FAO at GDM diagnosis and large for gestational age in GDM with FAO at 20–24 GW were 10.15 and 5.57, and their primary cesarean delivery rate was significantly higher than those in GDM without FAO (44% vs. 29%). Earlier diagnosis and active interventions of GDM well before 20–24 GW might be necessary to prevent FAO in the older and/or obese women.
Trends in neonatal intensive care unit admissions by race/ethnicity in the United States, 2008–2018
Authors: Kim Youngran , Ganduglia-Cazaban Cecilia , Chan Wenyaw , Lee MinJae , Goodman David C.
Published: December 2021

To examine temporal trends of NICU admissions in the U.S. by race/ethnicity, we conducted a retrospective cohort analysis using natality files provided by the National Center for Health Statistics at the U.S. Centers for Disease Control and Prevention. A total of 38,011,843 births in 2008–2018 were included. Crude and risk-adjusted NICU admission rates, overall and stratified by birth weight group, were compared between white, black, and Hispanic infants. Crude NICU admission rates increased from 6.62% (95% CI 6.59–6.65) to 9.07% (95% CI 9.04–9.10) between 2008 and 2018. The largest percentage increase was observed among Hispanic infants (51.4%) compared to white (29.1%) and black (32.4%) infants. Overall risk-adjusted rates differed little by race/ethnicity, but birth weight-stratified analysis revealed that racial/ethnic differences diminished in the very low birth weight (< 1500 g) and moderately low birth weight (1500–2499 g) groups. Overall NICU admission rates increased by 37% from 2008 to 2018, and the increasing trends were observed among all racial and ethnic groups. Diminished racial/ethnic differences in NICU admission rates in very low birth weight infants may reflect improved access to timely appropriate NICU care among high-risk infants through increasing health care coverage coupled with growing NICU supply.
Antibacterial efficacy of non-thermal atmospheric plasma against Streptococcus mutans biofilm grown on the surfaces of restorative resin composites
Authors: Nima Gabriel , Harth-Chu Erika , Hiers Rochelle Denise , Pecorari Vanessa Gallego Arias , Dyer David W. , Khajotia Sharukh Soli , Giannini Marcelo , Florez Fernando Luis Esteban
Published: December 2021

The aim of this study was to evaluate the antimicrobial efficacy of non-thermal atmospheric plasma (NTAP) against Streptococcus mutans biofilms. Resin discs were fabricated, wet-polished, UV sterilized, and immersed in water for monomer extraction (37 °C, 24 h). Biofilms of bioluminescent S. mutans strain JM10 was grown on resin discs in anaerobic conditions for (37 °C, 24 h). Discs were divided into seven groups: control (CON), 2% chlorhexidine (CHX), only argon gas 150 s (ARG) and four NTAP treatments (30 s, 90 s, 120 s, 150 s). NTAP was applied using a plasma jet device. After treatment, biofilms were analyzed through the counting of viable colonies (CFU), bioluminescence assay (BL), scanning electron microscopy (SEM), and polymerase chain reaction (PCR). All NTAP-treated biofilm yielded a significant CFU reduction when compared to ARG and CON. BL values showed that NTAP treatment for 90 s, 120 s or 150 s resulted in statistically significantly lower metabolic activity when compared to the other groups. CHX displayed the lowest means of CFU and BL. SEM showed significant morphological changes in NTAP-treated biofilm. PCR indicated damage to the DNA structure after NTAP treatment. NTAP treatment was effective in lowering the viability and metabolism of S. mutans in a time-dependent manner, suggesting its use as an intraoral surface-decontamination strategy.
Formation mechanism of carbide slag composite sustained-alkalinity-release particles for the source control of acid mine drainage
Authors: Bai Jichi , Zhang Haiqin , Xiao Liping
Published: December 2021

Acid mine drainage (AMD) has caused serious and long-lasting damage to the environment in many countries. Preventing AMD formation at the source is considered the most direct and effective method of remediation. Carbide slag, an industrial waste, is a potential AMD treatment material due to its strong alkalinity. However, applying carbide slag at the source carries difficulties due to its rapid release of alkalinity. This is the first attempt to mix carbide slag with bentonite to prepare sustained-alkalinity-release particles for source control of AMD. The size of Ca(OH)2 crystallites is decreased from 267 to 211 nm, and the reduced part forms calcium silicate hydrate gel (C–S–H) between the carbide slag and bentonite. C–S–H encapsulated on the surface of the carbide slag, increasing the mechanical strength of the particles, and achieving slow release of alkalinity. The suggested optimum preparation conditions for the particles are as follows: bentonite-to-carbide slag mass ratio of 3:7, Na2CO3 dose of 10 wt%, and calcination temperature of 500 °C for 1 h. The particles can remove 105 mg/g Cu2+ within 12 h, and the loss rate is only 7.4%. The alkalinity release time of the particles is 4 times greater than that of carbide slag.
Sleep as a random walk: a super-statistical analysis of EEG data across sleep stages
Authors: Metzner Claus , Schilling Achim , Traxdorf Maximilian , Schulze Holger , Krauss Patrick
Published: December 2021

In clinical practice, human sleep is classified into stages, each associated with different levels of muscular activity and marked by characteristic patterns in the EEG signals. It is however unclear whether this subdivision into discrete stages with sharply defined boundaries is truly reflecting the dynamics of human sleep. To address this question, we consider one-channel EEG signals as heterogeneous random walks: stochastic processes controlled by hyper-parameters that are themselves time-dependent. We first demonstrate the heterogeneity of the random process by showing that each sleep stage has a characteristic distribution and temporal correlation function of the raw EEG signals. Next, we perform a super-statistical analysis by computing hyper-parameters, such as the standard deviation, kurtosis, and skewness of the raw signal distributions, within subsequent 30-second epochs. It turns out that also the hyper-parameters have characteristic, sleep-stage-dependent distributions, which can be exploited for a simple Bayesian sleep stage detection. Moreover, we find that the hyper-parameters are not piece-wise constant, as the traditional hypnograms would suggest, but show rising or falling trends within and across sleep stages, pointing to an underlying continuous rather than sub-divided process that controls human sleep. Based on the hyper-parameters, we finally perform a pairwise similarity analysis between the different sleep stages, using a quantitative measure for the separability of data clusters in multi-dimensional spaces.
Heterogeneous dissociation process of truncated RNAs by oligomerized Vasa helicase
Authors: Kinoshita Yoshimi , Murakami Ryo , Muto Nao , Kubo Shintaroh , Iizuka Ryo , Uemura Sotaro
Published: December 2021

RNA helicases are enzymes that generally unwind double-stranded RNA using ATP hydrolysis energy, mainly involved in RNA metabolism, transcription, translation, and mRNA splicing. While the helicase core is crucial for RNA unwinding activity, N- and C-terminal extensions of specific helicases may contain an intrinsically disordered region for electrostatic interaction, resulting in the formation of droplets in the cytoplasm. However, how the disordered region of the RNA helicase contributes to RNA unwinding and dissociation remains unclear. Here, we focused on Bombyx mori Vasa, which unwinds truncated target transposon RNAs from the piRNA-induced silencing complex piRISC. In this study, we used single-molecule techniques to visualise how Vasa dynamically interacts with piRISC and investigate how Vasa oligomerization is involved in the process of piRNA amplification, named the ping-pong pathway. We found that Vasa’s oligomerization is required during these processes in vitro and in vivo, and that Vasa triggers the dissociation of truncated RNA in heterogeneous pathways. Our single-molecule results suggest that oligomerized Vasa guides the timing of the process regulating overall dissociation efficiency.
Rapid and specific detection of intact viral particles using functionalized microslit silicon membranes as a fouling-based sensor
Authors: Klaczko Michael E. , Lucas Kilean , Salminen Alec T. , McCloskey Molly C. , Ozgurun Baturay , Ward Brian M. , Flax Jonathan , McGrath James L.
Published: December 2021

Developing a POC sensor for viral particles which requires both size and affinity for a positive test and uses a hand pipette injection for power. Achieved by applying a novel principle of fouling-based detection on ultrathin silicon-based membranes.
Retroreflection-based sandwich type affinity sensing of isothermal gene amplification products for foodborne pathogen detection
Authors: Lee Danbi , Kim Eunsuk , Lee Kyung Won , Kim Ka Ram , Chun Hyeong Jin , Yoon Hyunjin , Yoon Hyun C.
Published: December 2021

Loop-mediated isothermal amplification (LAMP), associated with nonspectroscopic retroreflection-based affinity sensing, is an outstanding method for quantitative analysis of pathogen.
Rhodamine 6G-based efficient chemosensor for trivalent metal ions (Al3+, Cr3+ and Fe3+) upon single excitation with applications in combinational logic circuits and memory devices
Authors: Das Dipankar , Alam Rabiul , Ali Mahammad
Published: December 2021

A new rhodamine 6G-based chemosensor (L3) exhibits excellent CHEF-based recognition of trivalent metal ions M3+ (M = Fe, Al, and Cr) over mono and di- and other trivalent metal ions with applications in combinational logic circuits and memory devices.
Facile discovery of a therapeutic agent for NK-mediated synergistic antitumor effects using a patient-derived 3D platform
Authors: Lee Young Eun , Yuk Chae Min , Lee Minseok , Han Ki-Cheol , Jun Eunsung , Kim Tae Sung , Ku Ja-Lok , Im Sung G. , Lee Eunjung , Jang Mihue
Published: December 2021

3D tumor spheroid/NK co-culture platform facilitates the discovery of a small drug, C19, for synergistic NK-mediated cytolysis against pancreatic cancer patient-derived cancer spheroid.
Sensitivity of the glass transition and melting in a metal–organic framework to ligand chemistry
Authors: Madsen Rasmus S. K. , Sarkar Sounak , Iversen Bo Brummerstedt , Yue Yuanzheng
Published: December 2021

The effect of substituting linkers with electron-donating moieties for part of the conventional ones on the melting and glass transition behaviours of ZIF-62 was investigated by calorimetry and X-ray diffraction.
Metal–biomolecule frameworks (BioMOFs): a novel approach for “green” optoelectronic applications
Authors: Martin Cristina , Jonckheere Dries , Coutino-Gonzalez Eduardo , Smolders Simon , Bueken Bart , Marquez Carlos , Krajnc Andraž , Willhammar Tom , Kennes Koen , Fenwick Oliver , Richard Fanny , Samorì Paolo , Mali Gregor , Hofkens Johan , Roeffaers Maarten B. J. , De Vos Dirk E.
Published: December 2021

A water-stable, BDC-bioMOF was synthesized, characterized, and loaded with silver ions or highly emissive rare earth (RE). The materials were used as active layers in a proof-of-concept sustainable light-emitting device.
Derivatization of an especially electron-rich diborane
Authors: Vogler Daniel , Haas Lea , Wolf Nina , Kaifer Elisabeth , Himmel Hans-Jörg
Published: December 2021

Novel symmetric and unsymmetric diboranes with sp3-hybridized boron atoms and especially electron-donating bridging guanidinate substituents are synthesized and their properties analysed. Moreover, dismutation equilibria are disclosed.
Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives
Authors: Tan Sang Loon , Cardoso Laura N. F. , de Souza Marcus V. N. , Wardell Solange M. S. V. , Wardell James L. , Tiekink Edward R. T.
Published: December 2021

Stabilising π[C(O)N(H)NC]⋯π(phenyl) interactions are described.
Integration of global ring currents using the Ampère–Maxwell law
Authors: Berger Raphael J. F. , Dimitrova Maria , Nasibullin Rinat T. , Valiev Rashid R. , Sundholm Dage
Published: December 2021

We present a method based on Ampère–Maxwell's integral law for calculating strengths of magnetically induced ring currents.
Supramolecular assemblies of organo-functionalised hybrid polyoxometalates: from functional building blocks to hierarchical nanomaterials
Authors: Cameron Jamie M. , Guillemot Geoffroy , Galambos Theodor , Amin Sharad S. , Hampson Elizabeth , Mall Haidaraly Kevin , Newton Graham N. , Izzet Guillaume
Published: December 2021

Organic–inorganic hybrid polyoxometalates are versatile building blocks for the self-assembly of functional supramolecular materials.
Efficient phosphate recovery as vivianite: synergistic effect of iron minerals and microorganisms
Authors: Lu Yongsheng , Feng Wei , Liu Hui , Chen Chen , Xu Yunfeng , Chen Xueping
Published: December 2021

Dissimilatory iron reducing bacteria greatly increased the production of vivianite. Phosphate promoted the dissimilatory reduction of iron minerals and a high Fe/P ratio (2–4) is conducive for phosphorus recovery as vivianite.
Influence of extraction technology on rapeseed oil functional quality: a study on rapeseed polyphenols
Authors: He Mengxue , Nian Binbin , Shi Jiachen , Sun Xian , Du Runfeng , Tan Chin Ping , Xu Yong-Jiang , Liu Yuanfa
Published: December 2021

Hot pressing can be considered the best extraction method for rapeseed oil from the perspective of phenolic compounds, because hot pressing produces the highest content of sinapine, and sinapine inhibits TMA production.
The functional role of sulforaphane in intestinal inflammation: a review
Authors: Wei Li-Yang , Zhang Jiu-Kai , Zheng Lei , Chen Ying
Published: December 2021

The preventive and interventional effects of sulforaphane on intestinal inflammation are shown.
In situreactive extraction with oleic acid for process intensification in amine transaminase catalyzed reactions
Authors: Doeker Moritz , Grabowski Laura , Rother Dörte , Jupke Andreas
Published: December 2021

Efficiency of the enzymatic metaraminol production with the amine donorl-alanine was increased by applying reactive extraction as suitablein situproduct removal strategy.
Liquid-assisted grinding/compression: a facile mechanosynthetic route for the production of high-performing Co–N–C electrocatalyst materials
Authors: Kosimov Akmal , Yusibova Gulnara , Aruväli Jaan , Paiste Päärn , Käärik Maike , Leis Jaan , Kikas Arvo , Kisand Vambola , Šmits Krišjānis , Kongi Nadezda
Published: December 2021

Mechanochemical synthesis of bifunctional Co–N–C electrocatalysts.
Visible-light-driven hydrogen evolution from waste toner powder activated by Ni species
Authors: Zhang Wenyan , Guan Hangmin , Hu Yingfei , Wang Wei , Hao Linyun , Yang Xiaoli , Tian Wenjie
Published: December 2021

This work reports visible-light-driven hydrogen evolution with waste toner activated with a Ni species as the photocatalyst, which is a promising approach for making good use of waste toner in clean energy production.
Volumeless reagent delivery: a liquid handling method for adding reagents to microscale droplets without increasing volume
Authors: Juang Duane S. , Lang Joshua M. , Beebe David J.
Published: December 2021

We report a versatile method for delivering reagents into microscale droplets without increasing volume.
A sample-to-answer electrochemical biosensor system for biomarker detection
Authors: Kikkeri Kruthika , Wu Dan , Voldman Joel
Published: December 2021

We interfaced with a painless blood collection device and integrated on-chip blood-to-plasma separation with an electronic bead-based biomarker detection assay to enable true sample-to-answer detection of biomarkers.
Magnetoconductance modulations due to interlayer tunneling in radial superlattices
Authors: Zhong Yu-Jie , Huang Angus , Liu Hui , Huang Xuan-Fu , Jeng Horng-Tay , You Jhih-Shih , Ortix Carmine , Chang Ching-Hao
Published: December 2021

We prove, in the first theoretical model, that unique boundary conditions and interlayer tunneling dominate the nature of electronic states in radial superlattices, leading to strongly momentum-dependent magnetoconductance modulations.
An oxygen-bridged bimetallic [Cu–O–Se] catalyst for Sonogashira cross-coupling
Authors: Sahu Santosh Kumar , Choudhury Prabhupada , Behera Pradyota Kumar , Bisoyi Tanmayee , Sahu Rashmi Ranjan , Bisoyi Abinash , Gorantla Koteswara Rao , Mallik Bhabani S. , Mohapatra Manoj , Rout Laxmidhar
Published: December 2021

Oxygen bridged bimetallic CuSeO3·2H2O catalyst is used for Sonogashira cross-coupling under ligand free condition. Catalyst is free from palladium up to 0.2 ppm.
Theoretical insights into CO2 reduction reaction on a CuPc/graphene single-atomic catalyst
Authors: Yan Zhiguo , Xia Pin , Huang Ling , Xu Haiquan , Fu Heqing , Xiao Yang
Published: December 2021

A theoretical insight into the CO2 reduction reaction on a CuPc/graphene single atomic catalyst.
Synthesis of red/black phosphorus-based composite nanosheets with a Z-scheme heterostructure for high-performance cancer phototherapy
Authors: Kang Yong , Li Zhengjun , Lu Fengying , Su Zhiguo , Ji Xiaoyuan , Zhang Songping
Published: December 2021

The cell membrane-coated heterojunction M-RP/BP@ZnFe2O4 NS could decompose water to produce O2 and H2O2 and oxidize glutathione to damage the tumor microenvironment. Meanwhile, the ZnFe2O4 nanoparticles could improve the production of ˙OH and ROS.
Advanced asymmetric supercapacitors with a squirrel cage structure Fe3O4@carbon nanocomposite as a negative electrode
Authors: Sun Chengxiang , Pan Wenxia , Zheng Dianyuan , Guo Gengtao , Zheng Yuhang , Zhu Jianhong , Liu Cheng
Published: December 2021

Carbon materials have been used as negative electrodes for supercapacitor applications; nevertheless, owing to the low capacitance, they have limited ability to enhance the supercapacitor electrochemical properties.
3-Methoxybutan-2-one as a sustainable bio-based alternative to chlorinated solvents
Authors: Jin Saimeng , Byrne Fergal P. , Clark James H. , McElroy Con Robert , Quinn Alex , Sherwood James , Hunt Andrew J.
Published: December 2021

Methylation of acetoin with dimethyl carbonate was performed in a sustainable one-step process, with improved process mass intensity (PMI) and atom economy. 3-Methoxybutan-2-one is a sustainable bio-based alternative to chlorinated solvents.
The dolabellane diterpenes as potential inhibitors of the SARS-CoV-2 main protease: molecular insight of the inhibitory mechanism through computational studies
Authors: Aminah Nanik Siti , Abdjan Muhammad Ikhlas , Wardana Andika Pramudya , Kristanti Alfinda Novi , Siswanto Imam , Rakhman Khusna Arif , Takaya Yoshiaki
Published: December 2021

An investigation on dolabellane derivatives to understand their potential in inhibiting the SARS-CoV-2 main protease (3CLpro) using anin silicoapproach.
Rapid diagnosis of egg allergy by targeting ovalbumin specific IgE and IgG4 in serum on a disposable electrochemical immunoplatform
Authors: Gordón Pidal José M. , Valverde Alejandro , Benedé Sara , Molina Elena , Moreno-Guzmán María , López Miguel Ángel , Pingarrón José M. , Escarpa Alberto , Campuzano Susana
Published: December 2021

First electrochemical bioplatforms described for the single and simultaneous determination of two immunoglobulin (Ig) subtypes, IgE and IgG4 specific to ovalbumin (OVA), considered as reliable markers for the diagnosis and monitoring of egg allergy.
Polymer brush coated upconverting nanoparticles with improved colloidal stability and cellular labeling
Authors: Klimkevicius Vaidas , Voronovic Evelina , Jarockyte Greta , Skripka Artiom , Vetrone Fiorenzo , Rotomskis Ricardas , Katelnikovas Arturas , Karabanovas Vitalijus
Published: December 2021

Upconverting nanoparticles (UCNPs) possess great potential for biomedical application. UCNPs absorb and convert near-infrared (NIR) radiation in the biological imaging window to visible (Vis) and even ultraviolet (UV) radiation.
Cationic amphiphilic dendrons with effective antibacterial performance
Authors: Guo Wei , Wang Yongjie , Wan Pengqi , Wang Hao , Chen Li , Zhang Shaokun , Xiao Chunsheng , Chen Xuesi
Published: December 2021

We designed and synthesized a series of cationic amphiphilic dendrons with cationic dendrons and hydrophobic alkyl chains, which exhibited rapid and broad-spectrum bactericidal activity.
Cilostazol-imprinted polymer film-coated electrode as an electrochemical chemosensor for selective determination of cilostazol and its active primary metabolite
Authors: Jyoti  , Rybakiewicz-Sekita Renata , Żołek Teresa , Maciejewska Dorota , Gilant Edyta , Buś-Kwaśnik Katarzyna , Kutner Andrzej , Noworyta Krzysztof R. , Kutner Wlodzimierz
Published: December 2021

An electrochemical chemosensor for cilostazol (CIL) determination was devised, engineered, and tested.
A single dual-targeting fluorescent probe enables exploration of the correlation between the plasma membrane and lysosomes
Authors: Yu Shimo , Wu Shining , Zhang Jing , Zhao Xinfu , Liu Xiaochan , Yi Xibin , Li Xuechen
Published: December 2021

A dual-targeting probe was constructed to explore simultaneously label plasma membrane and lysosomes. With this probe, the correlation of the two organelles were investigated and the cholesterol (CL) contents in plasma membrane were spatially detected.
Tunable magnetic order in two-dimensional layered GdGe2
Authors: Wang Yuwan , Cui Zichun , Zeng Hanghang , Wang Zijie , Zhang Xian , Shi Junqin , Cao Tengfei , Fan Xiaoli
Published: December 2021

Robust ferromagnetic coupling; stacking-dependent magnetism.
A Longitudinal Study of Language Use During Early Mother–Child Interactions in Spanish-Speaking Families Experiencing Low Income
Authors: Pace Amy , Rojas Raúl , Bakeman Roger , Adamson Lauren B. , Tamis-LeMonda Catherine S. , O'Brien Caughy Margaret , Owen Margaret Tresch , Suma Katharine
Published: December 2021

Purpose:

This longitudinal study assessed continuity and stability of productive language (vocabulary and grammar) and discourse features (turn-taking; asking and responding to questions) during mother–child play.

Method:

Parent–child language use in 119 Spanish-speaking, Mexican immigrant mothers and their children at two ages (
M
= 2.5 and 3.6 years) was evaluated from transcriptions of interactions.

Results:

Child productive language significantly increased over the year, whereas mothers showed commensurate increases in vocabulary diversity but very little change in grammatical complexity. Mother–child discourse was characterized by discontinuity: Mothers decreased their turn length and asked fewer questions while children increased on both measures. Rates of responding to questions remained high for both mothers and children even as children increased and mothers decreased over time. Mothers and children showed significant rank-order stability in productive language and measures of discourse. Mothers' rate of asking questions and children's responses to questions during the first interaction predicted children's receptive vocabulary a year later.

Conclusions:

As children become more sophisticated communicators, language input remains important, with discourse features growing in relevance. Children's early opportunities to respond to parents' questions in the context of play benefit their language skills. This work extends the evidence base from monolingual English-speaking families and is interpreted in the context of prior research on parenting practices in U.S. families of Mexican origin.
AC‐SDBSCAN: Toward concealed object detection of passive terahertz images
Authors: Liu Ya , Xu Fan , Pu Ziqi , Huang Xuyang , Chen Jun , Shao Shuning
Published: December 2021

The passive terahertz (THz) detection on objects concealed under clothing is quite challenging due to the heavy noise interference. In this paper, an active‐contour‐based self‐adaptive DBSCAN (AC‐SDBSCAN) detection algorithm is proposed. The core of AC‐SDBSCAN algorithm lies in that the object contours are first extracted by AC method in a noise scenario and then the statistical features of the contours are used to motivate a SDBSCAN to complete clustering without initialization. Benefiting from the strong robustness of AC and DBSCAN to the noise, the concealed objects in the noisy THz images can be detected accurately. Extensive simulations are verified on four passive THz image datasets. The results indicate that the AC method in our solution can achieve over 87% accuracy for contour extraction of passive THz images, while the classical methods achieve less than 77%; in addition, the SDBSCAN can achieve over 90% clustering accuracy without manual initialization which is significantly superior to the conventional DBSCAN. Eventually, the proposed method completes the object detection of passive THz images with a maximum recall of 90.38% and a maximum precision of 94%.
An improved long‐horizon model predictive control for DFIG in WECS with variable sampling‐time
Authors: Younesi Aria , Tohidi Sajjad , Feyzi Mohammad R.
Published: December 2021

This paper presents an improved finite‐control‐set model predictive control (MPC) strategy for the doubly fed induction generator (DFIG). The MPC‐based controller's main drawback is high computational burden, which requires a long time to perform online optimization. In this regard, real‐time implementation becomes impossible in some cases. Thereupon, this paper suggests a variable sampling time in the prediction process to achieve a balance between the prediction horizon and computational burden. In other words, compared to the conventional MPC‐based techniques, longer horizon is predicted with fewer samples. In this method, there are two sampling times including a fixed sampling time for the system discretization structure, and a variable sampling time used in the prediction process. The proposed technique also utilizes a comparative incremental algorithm to prevent checking all possible control inputs over the objective function in order to reduce the computational time further. In addition, a penalty term, which includes the number of switch changes, is added to the cost function to reduce the switching frequency. Both the simulation and experimental results show that the proposed MPC can significantly improve the DFIG control system's performance by increasing the accuracy of tracking response and reducing the computational time. The experimental test is carried out by the hardware in loop system by using TMS320F28338 and PC‐Lab card. The computational delay caused by the digital signal processor and other influential factors are compensated by using the prediction plus prediction approach. The results confirm that the proposed controller has a lower overshoot and power ripple compared to the vector controller and direct torque controller. It also reduces the computational time up to 40% and reduces the average switching frequency by 12% in comparison to the conventional MPC.
Spontanes Auftreten einer Prurigo pigmentosa
Authors: Koch J. , Pfeiff B. , Scholl F. , Dill D.
Published: December 2021

Die Prurigo pigmentosa (Nagashimaʼs disease) ist eine seltene entzündliche Dermatose unklarer Genese. Sie ist klinisch gekennzeichnet durch pruritische, stammbetonte, zumeist symmetrische, rezidivierende Effloreszenzen, gefolgt von netzartigen Hyperpigmentierungen.

Das 1971 erstmals in Japan beschriebene Krankheitsbild wurde mittlerweile bei Männern und Frauen aller Altersgruppen und Ethnien beobachtet, jedoch tritt es bevorzugt bei asiatischen jungen Frauen im gebärfähigen Alter auf. Häufig ist es mit diätetisch oder diabetisch bedingten ketotischen Zuständen assoziiert, daher auch im englischsprachigen Raum die Krankheitsbezeichnung „keto-rash“. Weiterhin wurden Assoziationen mit fettreduzierter Diät, Atopie, Schwangerschaft, Still-Syndrom, Sjögren-Syndrom und Helicobacter pylori beobachtet.

Begünstigende Faktoren können mechanische Irritation, Hitze, Sonnenexposition sowie vermehrtes Schwitzen sein. Topische Glukokortikoide zeigen typischerweise keine oder nur geringe Wirkung. Als Therapie der Wahl haben sich Tetrazykline wie Mino- oder Doxycyclin bewährt. Hyperpigmentierungen können auch nach erfolgreicher Therapie persistieren. Rezidive treten potenziell Monate bis Jahre nach Erstmanifestation auf.

Wir berichten über eine junge, mitteleuropäische Patientin ohne bekannte Vorerkrankungen, bei der anhand von Anamnese, Klinik und Histologie die Diagnose einer Prurigo pigmentosa gestellt werden konnte.
Therapiestrategien der Psoriasisarthritis
Authors: Köhm Michaela , Burkhardt Harald , Behrens Frank
Published: December 2021

Bestehende Therapieempfehlungen und deren Limitationen In den letzten Jahren haben sich die Basistherapieoptionen für die Behandlung der Psoriasisarthritis deutlich erweitert. Das Sicherheitsprofil der verfügbaren Therapien ist gut untersucht und für die verschiedenen Präparate bekannt. Verschiedene Empfehlungen zur Auswahl und Steuerung der geeigneten Therapie stehen dem Behandler zur Verfügung. Hierbei finden die Empfehlungen der European League Against Rheumatism (EULAR) und der Group for Research and Assessment of Psoriasis and Psoriatic Arthritis (GRAPPA) national und international in der Routine Anwendung.

Zugelassene Therapieoptionen zur Behandlung der Psoriasisarthritis csDMARD-Therapien haben im Vergleich zur RA in der PsA-Behandlung eine schlechte Evidenzlage. Für neue Substanzen in den Kategorien tsDMARD und bDMARD liegen höhere Evidenzniveaus vor. Da neue Therapien unterschiedliche Zielstrukturen adressieren, bieten sich zunehmend Chancen der personalisierten und individualisierten Therapieentscheidung. Gerade neue pathophysiologische Erkenntnisse zum Erkrankungsbild und die daraus resultierenden Therapieoptionen, die gezielt spezifische Targets adressieren, bieten Möglichkeiten einer immer differenzierteren und individualisierten medikamentösen Behandlung zur Verbesserung der Versorgung der PsA-Patienten, v. a. mit Fokus auf personalisierte Strategien zur optimalen Behandlung verschiedener Manifestationsformen und -muster.

Randomisierte kontrollierte Studien und deren Relevanz für den Versorgungsalltag Studienendpunkte randomisierter kontrollierter Studien, deren Studiendesign oft aus der rheumatoiden Arthritis entliehen ist, dienen auch aufgrund der großen Heterogenität der Erkrankung kaum als Basis für individuelle Therapieentscheidungen. Ein mehrschrittiges Vorgehen bei der Auswahl eines individualisierten Behandlungsregimes ist wichtig unter Berücksichtigung der klinischen Manifestation, potenzieller Begleiterkrankungen, von Langzeitsicherheitsaspekten, Kontraindikationen, Applikationsformen und nicht zuletzt des Patientenwunschs.
Incidence of Primary Aldosteronism in Patients with Hypokalemia
(IPAHK+): Study Design and Baseline
Characteristics
Authors: Gruber Sven , Stasi Evangelia , Steiner Regula , Reincke Martin , Bornstein Stefan , Beuschlein Felix
Published: December 2021

Hypokalemia plays a central role for case finding, course, treatment decision,
and prognosis of patients with primary aldosteronism. However, to date there is
a lack of high-level evidence about the incidence of primary aldosteronism in
hypokalemic patients. The IPAHK+study is an epidemiological,
cross-sectional, monocentric study to provide evidence on the incidence of PA in
a hypokalemic population. The aim of the current analysis was to describe the
baseline characteristics of the first 100 patients eligible for study inclusion.
The recruitment of patients with hypokalemia (≤3 mmol/l) is
carried out continuously on a referral-basis by the central laboratory of the
University Hospital Zurich through an automated suitability testing and data
delivery system. The careful evaluation of the first 100 reported patients was
based on the available reporting system. Out of 28 140 screened patients, 222
(0.79%) were identified with a serum potassium value
of≤3 mmol/l (mean 2.89±0.02 mmol/l). Mean
potassium levels were slightly lower in non-hypertensive subjects compared to
hypertensive subjects (mean difference 0.07 mmol/l, p=0.033),
while no significant difference was found between the sexes and patients with
and without the diagnosis of primary aldosteronism, atrial fibrillation, or the
use of diuretics. The incidence of PA was 4% in the total population
studied and 7.5% in the subgroup of hypertensive patients. In
conclusion, the continuous enrollment of patients from the
IPHAK+hypokalemia registry into the
IPAHK+trial will provide evidence about the actual
incidence of primary aldosteronism in a hypokalemic outpatient population.
Evaporation kinetics of sessile droplets morphed by substrate curvature
Authors: Paul Arnov , Dhar Purbarun
Published: December 2021

In this article, we report the experimental evidence and an analytical model for the first time to predict the evaporation kinetics of sessile droplets seated on generic curved surfaces, either concave or convex. We appeal to the steady state, isothermal vapor diffusion theory, and incorporate conditions suitable to the geometry of curved substrates in a toroidal coordinate system, which is inherently different and more complicated than flat surfaces. We portray the mannerism in which the nature and magnitude of the curvature may dictate the evaporation behavior compared to a flat substrate. To validate the analytical model, we experimentally delineate the droplet evaporation phenomenon under the influence of substrate curvature. Convex cylinders and concave grooves of different radii have been employed for this purpose, and optical diagnostics of the droplet profile has been carried out to monitor evolution of the evaporation progress. Our model predicts that substrate convexity leads to substantial increase in evaporation rates due to augmented vapor diffusion domain over the liquid–vapor interface, whereas on a concave surface there is a decrease in evaporation rates due to droplet confinement phenomenon. The present model also addresses the fact that on the concave surface, the evaporation rate is not directly governed by substrate curvature, as discussed in the literature. The predictions from the model are found to be in good agreement with our detailed experimental observations.
Spin-glass-like state induced by Mn-doping into a moderate gap layered semiconductor SnSe2
Authors: Huang Hongrui , Rahman Azizur , Wang Jianlin , Lu Yalin , Akiyama Ryota , Hasegawa Shuji
Published: December 2021

Various types of magnetism can appear in emerging quantum materials such as van der Waals layered ones. Here, we report the successful doping of manganese atoms into a post-transition metal dichalcogenide semiconductor: SnSe2. We synthesized a single crystal Sn1−xMnxSe2 with x = 0.04 by the chemical vapor transport method and characterized it by x-ray diffraction and energy-dispersive x-ray spectroscopy. The magnetic properties indicated a competition between coexisting ferromagnetic and antiferromagnetic interactions, from the temperature dependence of the magnetization, together with magnetic hysteresis loops. This means that magnetic clusters having ferromagnetic interactions within a cluster form and the short-range antiferromagnetic interaction works between the clusters; a spin-glass-like state appears below ∼60 K. Furthermore, we confirmed by ab initio calculations that the ferromagnetic interaction comes from the 3d electrons of the manganese dopant. Our results offer a new material platform to understand and utilize the magnetism in the van der Waals layered materials.
The N-terminal cysteine is a dual sensor of oxygen and oxidative stress
Authors: Heo Ah Jung , Kim Su Bin , Ji Chang Hoon , Han Dohyun , Lee Su Jin , Lee Su Hyun , Lee Min Ju , Lee Ji Su , Ciechanover Aaron , Kim Bo Yeon , Kwon Yong Tae
Published: December 2021

Significance

Cellular homeostasis requires the sensing of and adaptation to dynamically changing levels of oxygen and reactive oxygen species (ROS). Here, we show that the Cys-branch of the Arg/N-degron pathway represents a cellular sensor for acute and chronic hypoxia, as well as oxidative stress. When the environment oscillates between normoxia and acute hypoxia, the enzymatic oxidation of the N-terminal cysteine (Nt-Cys) residues adjusts the levels of signaling molecules via the ubiquitin-proteasome system. However, if hypoxia becomes chronic, the Nt-Cys is chemically oxidized by consequent ROS to generate an N-degron that redirects the proteolytic flux of cognate substrates to the autophagy-lysosome system through reprograming of the ubiquitin code. These results provide critical insight into a first-line sensor and defense against oxidative stress.