bluuebunny/crossref_metadata_2025 huggingface dataset:
Male Antarctic fur seals: neglected food competitors of bioindicator species in the context of an increasing Antarctic krill fishery
Authors: Lowther A. D. , Staniland I. , Lydersen C. , Kovacs K. M.
Published: October 2020

The fishery for Antarctic krill is currently managed using a precautionary, ecosystem-based approach to limiting catch, with performance indices from a long-term monitoring program focused on several krill-dependent predators that are used to track ecosystem health. Concerns over increased fishing in concentrated areas and ongoing efforts to establish a Marine Protected Area along the Peninsula, a key fishing region, is driving the development of an adaptive management system for the fishery. The cumulative effects of fishing effort and interactions among krill-dependent predators and their performance is at present neglected in the CCAMLR Ecosystem Monitoring Program. However, we show considerable overlap between male Antarctic fur seals and the krill fishery in a complex mosaic, suggesting potential for cumulative impacts on other krill dependent predators. A holistic view is required as part of future efforts to manage the krill fishery that incorporates various sources of potential impacts on the performance of bioindicator species, including the fishery and its interactions with various krill dependent predators.
Non-contact vital-sign monitoring of patients undergoing haemodialysis treatment
Authors: Villarroel Mauricio , Jorge João , Meredith David , Sutherland Sheera , Pugh Chris , Tarassenko Lionel
Published: October 2020

A clinical study was designed to record a wide range of physiological values from patients undergoing haemodialysis treatment in the Renal Unit of the Churchill Hospital in Oxford. Video was recorded for a total of 84 dialysis sessions from 40 patients during the course of 1 year, comprising an overall video recording time of approximately 304.1 h. Reference values were provided by two devices in regular clinical use. The mean absolute error between the heart rate estimates from the camera and the average from two reference pulse oximeters (positioned at the finger and earlobe) was 2.8 beats/min for over 65% of the time the patient was stable. The mean absolute error between the respiratory rate estimates from the camera and the reference values (computed from the Electrocardiogram and a thoracic expansion sensor—chest belt) was 2.1 breaths/min for over 69% of the time for which the reference signals were valid. To increase the robustness of the algorithms, novel methods were devised for cancelling out aliased frequency components caused by the artificial light sources in the hospital, using auto-regressive modelling and pole cancellation. Maps of the spatial distribution of heart rate and respiratory rate information were developed from the coefficients of the auto-regressive models. Most of the periods for which the camera could not produce a reliable heart rate estimate lasted under 3 min, thus opening the possibility to monitor heart rate continuously in a clinical environment.
Post-seismic deformation mechanism of the July 2015 MW 6.5 Pishan earthquake revealed by Sentinel-1A InSAR observation
Authors: Wang Sijia , Zhang Yongzhi , Wang Yipeng , Jiao Jiashuang , Ji Zongtong , Han Ming
Published: October 2020

On 3 July 2015, the Mw 6.5 Pishan earthquake occurred at the junction of the southwestern margin of the Tarim Basin and the northwestern margin of the Tibetan Plateau. To understand the seismogenic mechanism and the post-seismic deformation behavior, we investigated the characteristics of the post-seismic deformation fields in the seismic area, using 9 Sentinel-1A TOPS synthetic aperture radar (SAR) images acquired from 18 July 2015 to 22 September 2016 with the Small Baseline Subset Interferometric SAR (SBAS-InSAR) technique. Postseismic LOS deformation displayed logarithmic behavior, and the temporal evolution of the post-seismic deformation is consistent with the aftershock sequence. The main driving mechanism of near-field post-seismic displacement was most likely to be afterslip on the fault and the entire creep process consists of three creeping stages. Afterward, we used the steepest descent method to invert the afterslip evolution process and analyzed the relationship between post-seismic afterslip and co-seismic slip. The results witness that 447 days after the mainshock (22 September 2016), the afterslip was concentrated within one principal slip center. It was located 5–25 km along the fault strike, 0–10 km along with the fault dip, with a cumulative peak slip of 0.18 m. The 447 days afterslip seismic moment was approximately 2.65 × 1017 N m, accounting for approximately 4.1% of the co-seismic geodetic moment. The deep afterslip revealed that a creeping process from steady-state “secondary” creeping to accelerating “tertiary” creep in the deep of fault. The future seismic hazard deserves further attention and research.
Validation of the Third Molar Maturation Index (I3M) to assess the legal adult age in the Portuguese population
Authors: Albernaz Neves João , Antunes-Ferreira Nathalie , Machado Vanessa , Botelho João , Proença Luís , Quintas Alexandre , Delgado Ana Sintra , Mendes José João , Cameriere Roberto
Published: October 2020

Age estimation is a major step in forensic and legal procedures. Its relevance has been increasing due to growing society issues, such as identification of missing people, crimes against minors or lack of valid identification papers from locals or foreigners. Evaluation of the cut-off value of the Third Molar Maturation Index (I3M) = 0.08 for discriminating minors from adults in the Portuguese population. The left lower third molars were analysed by applying a specific cut-off value of 0.08 determined by Cameriere et al. in 2008. A sample of 778 digital panoramic radiographs of a representative Portuguese sample (442 females and 336 males), in the age range of 12–24 years (mean age 17.7 ± 2.98 years in females and 18.1 ± 3.0 years in males), was retrospectively evaluated. I3M decreased as the real age gradually increased in both sexes. The 0.08 cut-off score was valuable in discriminating adults from minors. According to the pooled results, the accuracy, by means of area under the curve, was 92.8% (95% confidence interval (CI) 91.0–94.6%). The proportion of correctly classified subjects (sensitivity) was 90.7% (95% CI 88.7–92.8%) and the specificity was 94.9% (95% CI 93.3–96.4%). The results show that I3M is a valuable method to differentiate minors from adults in the Portuguese population.
Piglets vocally express the anticipation of pseudo-social contexts in their grunts
Authors: Villain A. S. , Hazard A. , Danglot M. , Guérin C. , Boissy A. , Tallet C.
Published: October 2020

Emotions not only arise in reaction to an event but also while anticipating it, making this context a means of accessing the emotional value of events. Before now, anticipatory studies have rarely considered whether vocalisations carry information about emotional states. We studied both the grunts of piglets and their spatial behaviour as they anticipated two (pseudo)social events known to elicit positive emotions of different intensity: arrival of familiar conspecifics and arrival of a familiar human. Piglets spatially anticipated both pseudo-social contexts, and the spectro temporal features of grunts differed according to the emotional context. Piglets produced low-frequency grunts at a higher rate when anticipating conspecifics compared to anticipating a human. Spectral noise increased when piglets expected conspecifics, whereas the duration and frequency range increased when expecting a human. When the arrival of conspecifics was delayed, the grunt duration increased, whereas when the arrival of the human was delayed, the spectral parameters were comparable to those during isolation. This shows that vocal expressions in piglets during anticipation are specific to the expected reward. Vocal expressions—both their temporal and spectral features- are thus a good way to explore the emotional state of piglets during the anticipation of challenging events.
Predicting stroke severity with a 3-min recording from the Muse portable EEG system for rapid diagnosis of stroke
Authors: Wilkinson Cassandra M. , Burrell Jennifer I. , Kuziek Jonathan W. P. , Thirunavukkarasu Sibi , Buck Brian H. , Mathewson Kyle E.
Published: October 2020

In this study, we demonstrated the use of low-cost portable electroencephalography (EEG) as a method for prehospital stroke diagnosis. We used a portable EEG system to record data from 25 participants, 16 had acute ischemic stroke events, and compared the results to age-matched controls that included stroke mimics. Delta/alpha ratio (DAR), (delta + theta)/(alpha + beta) ratio (DBATR) and pairwise-derived Brain Symmetry Index (pdBSI) were investigated, as well as head movement using the on-board accelerometer and gyroscope. We then used machine learning to distinguish between different subgroups. DAR and DBATR increased in ischemic stroke patients with increasing stroke severity (p = 0.0021, partial η2 = 0.293; p = 0.01, partial η2 = 0.234). Also, pdBSI decreased in low frequencies and increased in high frequencies in patients who had a stroke (p = 0.036, partial η2 = 0.177). Using classification trees, we were able to distinguish moderate to severe stroke patients and from minor stroke and controls, with a 63% sensitivity, 86% specificity and accuracy of 76%. There are significant differences in DAR, DBATR, and pdBSI between patients with ischemic stroke when compared to controls, and these effects scale with severity. We have shown the utility of a low-cost portable EEG system to aid in patient triage and diagnosis as an early detection tool.
Balloon-assisted sacroplasty as a successful procedure for osteoporotic sacral insufficiency fractures after failure of the conservative treatment
Authors: Schwetje D. , Wahd Y. El Sayed Hassan , Bornemann R. , Jansen T. R. , Pflugmacher R. , Kasapovic A.
Published: October 2020

Osteoporotic vertebral fractures without prior adequate traumatization are frequent diagnosed in orthopedics because of the increasing life expectancy and incidence of osteoporosis. The associated high mortality is caused by reduced mobilization which leads to a higher risk of infection and a bedridden state. On the other hand the diagnosis of sacral insufficiency fractures is often prolonged because of unspecific symptoms while being associated with similar risks. This article presents an overview of the present scientific literature and a retrospective analysis of patients treated via balloon-assisted sacroplasty. In 8 years, ten patients (three men and seven women) were treated. The average age was 78.4 years and the average time until the diagnosis 4.6 weeks. In most patients a significant pain reduction after the failure of conservative treatment thanks to operative treatment as well as increased mobility was observed. Only one experienced a minor surgical complication being cement leakage with nerval impaction which did not compromise her clinical outcome or satisfaction with the procedure. Balloon-assisted sacroplasty can possibly be seen as an effective symptomatic therapy in osteoporotic insufficiency fractures.
Modulation of solute diffusivity in brain tissue as a novel mechanism of transcranial direct current stimulation (tDCS)
Authors: Xia Yifan , Khalid Wasem , Yin Zhaokai , Huang Guangyao , Bikson Marom , Fu Bingmei M.
Published: October 2020

The breadth of brain disorders and functions reported responsive to transcranial direct current stimulation (tDCS) suggests a generalizable mechanism of action. Prior efforts characterized its cellular targets including neuron, glia and endothelial cells. We propose tDCS also modulates the substance transport in brain tissue. High resolution multiphoton microscopy imaged the spread across rat brain tissue of fluorescently-labeled solutes injected through the carotid artery after tDCS. The effective solute diffusion coefficient of brain tissue (Deff) was determined from the spatio-temporal solute concentration profiles using an unsteady diffusion transport model. 5–10 min post 20 min–1 mA tDCS, Deff increased by ~ 10% for a small solute, sodium fluorescein, and ~ 120% for larger solutes, BSA and Dex-70k. All increases in Deff returned to the control level 25–30 min post tDCS. A mathematical model for Deff in the extracelluar space (ECS) further predicts that this dose of tDCS increases Deff by transiently enhancing the brain ECS gap spacing by ~ 1.5-fold and accordingly reducing the extracellular matrix density. The cascades leading ECS modulation and its impact on excitability, synaptic function, plasticity, and brain clearance require further study. Modulation of solute diffusivity and ECS could explain diverse outcomes of tDCS and suggest novel therapeutic strategies.
Treeline ecotones shape the distribution of avian species richness and functional diversity in south temperate mountains
Authors: Altamirano Tomás A. , de Zwaan Devin R. , Ibarra José Tomás , Wilson Scott , Martin Kathy
Published: October 2020

Mountains produce distinct environmental gradients that may constrain or facilitate both the presence of avian species and/or specific combinations of functional traits. We addressed species richness and functional diversity to understand the relative importance of habitat structure and elevation in shaping avian diversity patterns in the south temperate Andes, Chile. During 2010–2018, we conducted 2202 point-counts in four mountain habitats (successional montane forest, old-growth montane forest, subalpine, and alpine) from 211 to 1,768 m in elevation and assembled trait data associated with resource use for each species to estimate species richness and functional diversity and turnover. We detected 74 species. Alpine specialists included 16 species (22%) occurring only above treeline with a mean elevational range of 298 m, while bird communities below treeline (78%) occupied a mean elevational range of 1,081 m. Treeline was an inflection line, above which species composition changed by 91% and there was a greater turnover in functional traits (2–3 times greater than communities below treeline). Alpine birds were almost exclusively migratory, inhabiting a restricted elevational range, and breeding in rock cavities. We conclude that elevation and habitat heterogeneity structure avian trait distributions and community composition, with a diverse ecotonal sub-alpine and a distinct alpine community.
Fluorescent enzyme-coupled activity assay for phenylalanine ammonia-lyases
Authors: Moisă Mădălina E. , Amariei Diana A. , Nagy Emma Z. A. , Szarvas Nóra , Toșa Monica I. , Paizs Csaba , Bencze László C.
Published: October 2020

Phenylalanine ammonia-lyases (PALs) catalyse the non-oxidative deamination of l-phenylalanine to trans-cinnamic acid, while in the presence of high ammonia concentration the reverse reaction occurs. PALs have been intensively studied, however, their industrial applications for amino acids synthesis remained limited, mainly due to their decreased operational stability or limited substrate specificity. The application of extensive directed evolution procedures to improve their stability, activity or selectivity, is hindered by the lack of reliable activity assays allowing facile screening of PAL-activity within large-sized mutant libraries. Herein, we describe the development of an enzyme-coupled fluorescent assay applicable for PAL-activity screens at whole cell level, involving decarboxylation of trans-cinnamic acid (the product of the PAL reaction) by ferulic acid decarboxylase (FDC1) and a photochemical reaction of the produced styrene with a diaryltetrazole, that generates a detectable, fluorescent pyrazoline product. The general applicability of the fluorescent assay for PALs of different origin, as well as its versatility for the detection of tyrosine ammonia-lyase (TAL) activity have been also demonstrated. Accordingly, the developed procedure provides a facile tool for the efficient activity screens of large mutant libraries of PALs in presence of non-natural substrates of interest, being essential for the substrate-specificity modifications/tailoring of PALs through directed evolution-based protein engineering.
Co-haplotyping symbiont and host to unravel invasion pathways of the exotic pest Halyomorpha halys in Italy
Authors: Martinez-Sañudo Isabel , Perotti M. Alejandra , Scaccini Davide , Pozzebon Alberto , Marri Laura , Mazzon Luca
Published: October 2020

The brown marmorated stink bug Halyomorpha halys (Stål) is a globally invasive species that harbours the primary bacterial symbiont ‘Candidatus Pantoea carbekii’. In this work, P. carbekii was used as another genetic marker to investigate the biodiversity and biogeographical patterns of this important pest, in native and newly invaded areas, especially in Italy. The correlation between the genetic structure of the symbiont and that of its host was studied through the analyses of one bacterial and one host marker, the putative pseudogene ΔybgF and the mitochondrial gene COI, respectively. As a result, five new P. carbekii haplotypes were identified, and an association pattern between host-symbiont haplotypes was observed. Host species showed higher haplotype diversity than symbiont, which can be expected in a long term host-symbiont association. Populations from the north-eastern Italy showed the highest values of genetic diversity for both markers, highlighting that this particular Italian area could be the result of multiple ongoing introductions. Moreover, some of the symbiont-host haplotypes observed were shared only by populations from north-eastern Italy and native areas, especially Japan, suggesting further introductions from this native country to Italy. Overall, our findings improve the understanding of the potential origin of multiple accidental introductions of H. halys in Italy.
Early lineage segregation of the retinal basal glia in the Drosophila eye disc
Authors: Tsao Chia-Kang , Huang Yu Fen , Sun Y. Henry
Published: October 2020

The retinal basal glia (RBG) is a group of glia that migrates from the optic stalk into the third instar larval eye disc while the photoreceptor cells (PR) are differentiating. The RBGs are grouped into three major classes based on molecular and morphological characteristics: surface glia (SG), wrapping glia (WG) and carpet glia (CG). The SGs migrate and divide. The WGs are postmitotic and wraps PR axons. The CGs have giant nucleus and extensive membrane extension that each covers half of the eye disc. In this study, we used lineage tracing methods to determine the lineage relationships among these glia subtypes and the temporal profile of the lineage decisions for RBG development. We found that the CG lineage segregated from the other RBG very early in the embryonic stage. It has been proposed that the SGs migrate under the CG membrane, which prevented SGs from contacting with the PR axons lying above the CG membrane. Upon passing the front of the CG membrane, which is slightly behind the morphogenetic furrow that marks the front of PR differentiation, the migrating SG contact the nascent PR axon, which in turn release FGF to induce SGs’ differentiation into WG. Interestingly, we found that SGs are equally distributed apical and basal to the CG membrane, so that the apical SGs are not prevented from contacting PR axons by CG membrane. Clonal analysis reveals that the apical and basal RBG are derived from distinct lineages determined before they enter the eye disc. Moreover, the basal SG lack the competence to respond to FGFR signaling, preventing its differentiation into WG. Our findings suggest that this novel glia-to-glia differentiation is both dependent on early lineage decision and on a yet unidentified regulatory mechanism, which can provide spatiotemporal coordination of WG differentiation with the progressive differentiation of photoreceptor neurons.
Study of domain configurations in (Bi,Na)ZrO3-modified (K,Na)(Nb,Sb)O3 piezoelectric ceramics by acid-etching at different temperatures
Authors: Zhang Jialiang , Zhou Chunming
Published: October 2020

Domain structure often greatly affects piezoelectric performance of a ferroelectric ceramic. Accordingly, a convenient method that can well characterize the domain structure at various temperatures is highly desired for understanding the underlying mechanism. An improved acid-etching technique was recently developed for such purpose. Domain structure of poled 0.96(K0.48Na0.52)(Nb0.96Sb0.04)O3–0.04(Bi0.50Na0.50)ZrO3 ceramics with a large piezoelectric coefficient d33 of 535 pC/N was systematically investigated at three typical temperatures. It was found that domain configurations change significantly with temperature. Hierarchical nanodomain structure is widely observed in domain patterns acid-etched at 25 °C, due to the orthorhombic-tetragonal phase coexistence. By contrast, the majority part of those acid-etched at − 60 °C are simply some long parallel stripes, while a small amount of banded structure appears in broad stripes inside some grains. A nearly 63° intersectional angle is seen between two adjacent sets of parallel stripes in the domain pattern of a cuboid-shaped grain, indicating that orthorhombic phase remains down to − 60 °C. The domain patterns acid-etched at 80 °C become even simpler, mainly consisting of long parallel stripes that are several hundred nanometers wide and have quite straight edges. Fundamental issues associating with the possible domain configurations and the acid-etching were discussed on the simple mathematical basis.
Author Correction: The spatiotemporal organization of episodic memory and its disruption in a neurodevelopmental disorder
Authors: Mastrogiuseppe Marilina , Bertelsen Natasha , Bedeschi Maria Francesca , Lee Sang Ah
Published: October 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Assignment of protonated R-homocitrate in extracted FeMo-cofactor of nitrogenase via vibrational circular dichroism spectroscopy
Authors: Deng Lan , Wang Hongxin , Dapper Christie H. , Newton William E. , Shilov Sergey , Wang Shunlin , Cramer Stephen P. , Zhou Zhao-Hui
Published: October 2020

Protonation of FeMo-cofactor (FeMo-co) is important for the process of substrate hydrogenation. Its structure has been clarified as Δ-Mo*Fe7S9C(R-homocit*)(cys)(Hhis) after the efforts of nearly 30 years, but it remains controversial whether FeMo-co is protonated or deprotonated with chelated ≡C − O(H) homocitrate. We have used protonated molybdenum(V) lactate 1 and its enantiomer as model compounds for R-homocitrate in FeMo-co of nitrogenase. Vibrational circular dichroism (VCD) spectrum of 1 at 1051 cm−1 is attributed to ≡C − OH vibration, and molybdenum(VI) R-lactate at 1086 cm−1 is assigned as ≡C − Oα-alkoxy vibration. These vibrations set up labels for the protonation state of coordinated α-hydroxycarboxylates. The characteristic VCD band of NMF-extracted FeMo-co is assigned to ν(C − OH), which is based on the comparison of molybdenum(VI) R-homocitrate. Density functional theory calculations are consistent with these assignments. To the best of our knowledge, this is the first time that protonated R-homocitrate in FeMo-co is confirmed by VCD spectra.
Direct N-substituted N-thiocarboxyanhydride polymerization towards polypeptoids bearing unprotected carboxyl groups
Authors: Zheng Botuo , Bai Tianwen , Ling Jun , Sun Jihong
Published: October 2020

Synthesis of poly(α-amino acid)s bearing carboxyl groups is a critical pathway to prepare biomaterials to simulate functional proteins. The traditional approaches call for carboxyl-protected monomers to prevent degradation of monomers or wrong linkage. In this contribution, we synthesize N-carboxypentyl glycine N-thiocarboxyanhydride (CPG-NTA) and iminodiacetic acid N-thiocarboxyanhydride (IDA-NTA) without protection. Initiated by amines, CPG-NTA directly polymerizes into polyCPG bearing unprotected carboxyl groups with controlled molecular weight (2.8–9.3 kg mol−1) and low dispersities (1.08–1.12). Block and random copolymerizations of CPG-NTA with N-ethyl glycine N-thiocarboxyanhydride (NEG-NTA) demonstrate its versatile construction of complicated polypeptoids. On the contrary, IDA-NTA transforms amines into cyclic IDA dimer-capped species with carboxyl end group in decent yields (>89%) regio-selectively. Density functional theory calculation elucidates that IDA repeating unit is prone to cyclize to be the six-membered ring product with low ΔG. The polymer is a good adhesive reagent to various materials with adhesive strength of 33–229 kPa.
Colorimetric reverse transcription loop-mediated isothermal amplification (RT-LAMP) as a visual diagnostic platform for the detection of the emerging coronavirus SARS-CoV-2
Authors: Nawattanapaiboon Kawin , Pasomsub Ekawat , Prombun Photchanathorn , Wongbunmak Akanit , Jenjitwanich Akarawit , Mahasupachai Pantanat , Vetcho Purichaya , Chayrach Cholticha , Manatjaroenlap Natthapon , Samphaongern Chonchanok , Watthanachockchai Treewat , Leedorkmai Phonthanat , Manopwisedjaroen Suwimon , Akkarawongsapat Radeekorn , Thitithanyanont Arunee , Phanchana Matthew , Panbangred Watanalai , Chauvatcharin Somchai , Srikhirin Toemsak
Published: October 2020

RT-LAMP to detect SARS-CoV-2: in a positive sample, RT-LAMP leads to a color change from pink to yellow.
Review of the distribution and detection methods of heavy metals in the environment
Authors: Jin Mengting , Yuan Hao , Liu Bo , Peng Jiajia , Xu Liping , Yang Dezheng
Published: October 2020

The spatial distribution of heavy metals, representative detection methods of heavy metals and related research trends are summarized.
A quantitative analysis of two-fold electrical conductivity relaxation behaviour in mixed proton–oxide-ion–electron conductors upon hydration
Authors: Falkenstein Andreas , De Souza Roger A. , Meulenberg Wilhelm A. , Martin Manfred
Published: October 2020

Amplitude factors (Ã, B̃, C̃) for two-fold relaxation kinetics upon hydration of a mixed conductor are derived.
Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches
Authors: Le Barbu-Debus Katia , Bowles Jessica , Jähnigen Sascha , Clavaguéra Carine , Calvo Florent , Vuilleumier Rodolphe , Zehnacker Anne
Published: October 2020

Solvation effects are essential for defining the shape of vibrational circular dichroism (VCD) spectra.
Two-dimensional diamine-linked covalent organic frameworks for CO2/N2 capture and separation: theoretical modeling and simulations
Authors: Apriliyanto Yusuf Bramastya , Darmawan Noviyan , Faginas-Lago Noelia , Lombardi Andrea
Published: October 2020

2D-COFs with diamine-based linkers have been designed and investigated for CO2/N2 gaseous mixture adsorption and separation via a systematic theoretical study by combining DFT calculations and force field-based MD simulations.
Fluorescence decay route of optical transition calculation for trivalent rare earth ions and its application for Er3+-doped NaYF4 phosphor
Authors: Luo Mengyan , Chen Baojiu , Li Xiangping , Zhang Jinsu , Xu Sai , Zhang Xizhen , Cao Yongze , Sun Jiashi , Zhang Yanqiu , Wang Xin , Zhang Yuhang , Gao Duan , Wang Li
Published: October 2020

A novel route for calculating Judd–Ofelt parameters of rare earth ions in powdered samples was proposed by using the fluorescence decay values.
Dynamics and kinetics of the OH + HO2 → H2O + O2 (1Δg) reaction on a global full-dimensional singlet-state potential energy surface
Authors: Lu Xiaoxiao , Fu Bina , Zhang Dong H.
Published: October 2020

The reaction dynamics and kinetics of OH + HO2 → H2O + O2 on the singlet state were revealed by theory, based on an accurate full-dimensional PES.
Molecular level picture of the interplay between pH and phosphate binding at the goethite–water interface
Authors: Ahmed Ashour A. , Gypser Stella , Freese Dirk , Leinweber Peter , Kühn Oliver
Published: October 2020

The present experimental–theoretical approach describes at a molecular level how the soil pH plays a substantial role in controlling the mechanism of the P binding process and the formed P binding motifs at the goethite/water interface.
An enhanced electrochemical CO2 reduction reaction on the SnOx–PdO surface of SnPd nanoparticles decorated on N-doped carbon fibers
Authors: Narayanaru Sreekanth , Anilkumar Gopinathan M. , Ito Masaki , Tamaki Takanori , Yamaguchi Takeo
Published: October 2020

Electrochemical reduction of CO2 to formate on SnPd–NCF. The adsorbed bicarbonate ion promotes the protonation of CO2˙− to HCO2−.
Dynamic metal–organic frameworks for the separation of hydrogen isotopes
Authors: Ju Zhanfeng , El-Sayed El-Sayed M. , Yuan Daqiang
Published: October 2020

Reversible structural transformation along with breathing effect or gate-opening phenomena in some dynamic MOFs provide opportunity to operate or to enhance kinetic quantum sieving (KQS) for hydrogen isotope separation.
C–C coupling formation using nitron complexes
Authors: Sevim Mehmet , Kavukcu Serdar Batıkan , Kınal Armağan , Şahin Onur , Türkmen Hayati
Published: October 2020

A series of RuII(1), RhIII(2), IrIII(3,4), IrI(5) and PdII(6–9) complexes of the ‘instant carbene’ nitron were prepared and characterized by1H- and13C-NMR, FT-IR and elemental analysis. They were used to form C–C coupling reactions.
Above room-temperature dielectric switching and semiconducting properties of a layered organic–inorganic hybrid compound: (C6H12N)2Pb(NO3)4
Authors: Jiang Jia-Ying , Xu Qi , Ma Jia-Jun , Gong Zhi-Xin , Shi Chao , Zhang Yi
Published: October 2020

(C6H12N)2Pb(NO3)4, a layered hybrid semiconductor with switchable dielectric constant, undergoes a structural phase transition around 352 K.
Cyclometalated Ru(ii) complexes with tunable redox and optical properties for dye-sensitized solar cells
Authors: Lavrova Maria A. , Mishurinskiy Sergey A. , Smirnov Daniil E. , Kalle Paulina , Krivogina Ekaterina V. , Kozyukhin Sergey A. , Emets Viktor V. , Mariasina Sofia S. , Dolzhenko Vladimir D. , Bezzubov Stanislav I.
Published: October 2020

Cyclometalated Ru(ii) complexes with 2-arylbenzimidazoles demonstrate enhanced light-harvesting properties and good characteristics in dye-sensitized solar cells.
A mechanistic study of cellulase adsorption onto lignin
Authors: Yao Lan , Yang Haitao , Yoo Chang Geun , Chen Congxin , Meng Xianzhi , Dai Jun , Yang Chunlei , Yu Jun , Ragauskas Arthur J. , Chen Xiong
Published: October 2020

To explore the effect of lignin composition on cellulase adsorption, in this study, dehydrogenation polymers (DHPs) were first prepared fromp-glucocoumaryl alcohol/coniferin/syringin, giving rise to H-DHP, G-DHP, and S-DHP, respectively.
Catalysis of carbon dioxide and oxetanes to produce aliphatic polycarbonates
Authors: Bhat Gulzar A. , Luo Ming , Darensbourg Donald J.
Published: October 2020

This review summarizes the literature for the coupling of CO2and oxetanes utilizing a broad range of metal and metal-free catalysts for the production of copolymers either directly orviaring-opening polymerization of preformed cyclic carbonates.
Everything in its right place: controlling the local composition of hydrogels using microfluidic traps
Authors: Kessler Michael , Elettro Hervé , Heimgartner Isabelle , Madasu Soujanya , Brakke Kenneth A. , Gallaire François , Amstad Esther
Published: October 2020

We introduce a microfluidic Hele-Shaw trapping cell that enables the fabrication of hydrogel sheets whose composition can be abruptly and controllably changed.
Modular off-chip emulsion generator enabled by a revolving needle
Authors: Zhang Yuxin , Zhao Qianbin , Yuan Dan , Liu Hangrui , Yun Guolin , Lu Hongda , Li Ming , Guo Jinhong , Li Weihua , Tang Shi-Yang
Published: October 2020

An integrated revolving needle emulsion generator (RNEG) is developed to achieve high-throughput production of monodispersed droplets in an off-chip manner.
Context contribution to the intermolecular recognition of human ACE2-derived peptides by SARS-CoV-2 spike protein: implications for improving the peptide affinity but not altering the peptide specificity by optimizing indirect readout
Authors: Zhou Peng , Wang Heyi , Chen Zheng , Liu Qian
Published: October 2020

Disrupting the intermolecular interaction of SARS-CoV-2 S protein with its cell surface receptor hACE2 is a therapeutic strategy against COVID-19. The protein context plays an essential role in hACE α1-helix recognition by viral S protein.
Prediction of topological nontrivial semimetals and pressure-induced Lifshitz transition in 1T′-MoS2layered bulk polytypes
Authors: Guo Zhiying , Hao Xingyu , Dong Juncai , Li Haijing , Gong Yu , Yang Dongliang , Liao Jiangwen , Chu Shengqi , Li Yanchun , Li Xiaodong , Chen Dongliang
Published: October 2020

Nontrivial topological states are discovered in the three predicted bulk structures of 2M-, 1T′-, and β-MoS2.
Tyrosine bioconjugation – an emergent alternative
Authors: Szijj Peter A. , Kostadinova Kristina A. , Spears Richard J. , Chudasama Vijay
Published: October 2020

A review of the heretofore less explored approach of tyrosine bioconjugation, which is rapidly becoming a constructive alternative/complement to the more well-established strategies, is provided.
Synthesis and intramolecular ring transformation of N,N′-dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes
Authors: Nakaike Yumi , Yoshida Yusuke , Yokoyama Soichi , Ito Akitaka , Nishiwaki Nagatoshi
Published: October 2020

N,N′-Dialkylated 2,6,9-triazabicyclo[3.3.1]nonadienes were firstly synthesized, and are interconvertible when only dissolved in a solvent via intramolecular ring transformation.
Pervaporative separation of water–ethanol mixtures using an Algerian Na+ montmorillonite nanoclay-incorporated poly(vinyl alcohol) nanocomposite membrane
Authors: Allel Amina , Wahib Naceur Mohamed , Benguergoura Hassiba , Ledoux Alain , Saeed Waseem Sharaf , Al-Odayni Abdel-Basit , Aouak Taïeb
Published: October 2020

This work aims to study the role of bentonite, Na+ montmorillonite (Na+MMT), as a filler to design a new poly(vinyl alcohol) (PVA)-based membrane for the pervaporation of an azeotropic water/ethanol mixture to enhance its separation efficiency.
Recent applications of Rose Bengal catalysis in N-heterocycles: a short review
Authors: Srivastava Arjita , Singh Pravin K. , Ali Akram , Singh Praveen P. , Srivastava Vishal
Published: October 2020

The recent applications of Rose Bengal as a photocatalyst for the synthesis and functionalization of N-heterocycles have been discussed.
Dynamics and mechanism of light harvesting in UV photoreceptor UVR8
Authors: Li Xiankun , Liu Zheyun , Ren Haisheng , Kundu Mainak , Wang Lijuan , Gao Jiali , Zhong Dongping
Published: October 2020

The light-harvesting network from distal and peripheral to central tryptophans with transfer efficiencies determined from measured energy-transfer rates.
Low cost, facile, environmentally friendly all biomass-based squid ink-starch hydrogel for efficient solar-steam generation
Authors: Xu Yuanlu , Xiao Xin , Fan Xinfei , Yang Yi , Song Chengwen , Fan Yaofang , Liu Yanming
Published: October 2020

An all biomass-based hydrogel evaporator was fabricated for efficient solar steam generation, in which squid ink was employed as the photothermal material and starch as the hydrogel matrix.
Multifunctional nanoparticles for targeting the tumor microenvironment to improve synergistic drug combinations and cancer treatment effects
Authors: Chen Mei-Lin , Lai Chih-Jen , Lin Yi-Nan , Huang Chien-Ming , Lin Yu-Hsin
Published: October 2020

Nanoparticles can internalize into cancer cells through CD44 and P-selectin ligand recognition, leading to significant enhancement of anti-prostate tumor activity.
A multi-model, large range and anti-freezing sensor based on a multi-crosslinked poly(vinyl alcohol) hydrogel for human-motion monitoring
Authors: Gao Yafei , Peng Junbo , Zhou Manhua , Yang Yanyu , Wang Xing , Wang Jianfeng , Cao Yanxia , Wang Wanjie , Wu Decheng
Published: October 2020

A high-mechanical, ionic conductive and anti-freezing multi-crosslinked poly(vinyl alcohol) hydrogel was assembled as a multi-model, large range and wearable sensor.
Exploration and validation of a novel prognostic signature based on comprehensive bioinformatics analysis in hepatocellular carcinoma
Authors: Wang Xiaofei , Qiao Jie , Wang Rongqi
Published: October 2020

The present study aimed to construct a novel signature for indicating the prognostic outcomes of hepatocellular carcinoma (HCC). Gene expression profiles were downloaded from Gene Expression Omnibus (GEO), The Cancer Genome Atlas (TCGA) and the International Cancer Genome Consortium (ICGC) databases. The prognosis-related genes with differential expression were identified with weighted gene co-expression network analysis (WGCNA), univariate analysis, the least absolute shrinkage and selection operator (LASSO). With the stepwise regression analysis, a risk score was constructed based on the expression levels of five genes: Risk score = (−0.7736* CCNB2) + (1.0083* DYNC1LI1) + (−0.6755* KIF11) + (0.9588* SPC25) + (1.5237* KIF18A), which can be applied as a signature for predicting the prognosis of HCC patients. The prediction capacity of the risk score for overall survival was validated with both TCGA and ICGC cohorts. The 1-, 3- and 5-year ROC curves were plotted, in which the AUC was 0.842, 0.726 and 0.699 in TCGA cohort and 0.734, 0.691 and 0.700 in ICGC cohort, respectively. Moreover, the expression levels of the five genes were determined in clinical tumor and normal specimens with immunohistochemistry. The novel signature has exhibited good prediction efficacy for the overall survival of HCC patients.
Event‐triggered synchronisation of Markovian reaction–diffusion inertial neural networks and its application in image encryption
Authors: Song Xiaona , Man Jingtao , Song Shuai , Ning Zhaoke
Published: October 2020

This study investigates the issue of dissipative synchronisation for inertial neural networks with Markovian jumping parameters and reaction–diffusion terms via the event‐based control strategy. First, for study convenience, by employing a suitable variable substitution, the original synchronisation error system is transformed to a first‐order differential one, and then it is reformed as a compact form. Second, an innovative event‐triggered communication scheme that consists of the system's state and its first‐order derivatives is proposed, with which the current sampling signal is judged whether should be released. Third, by constructing a novel Lyapunov–Krasovskii functional, and integrating the reciprocally convex combination method, free‐weighting matrix approach and Wirtinger‐based integral inequality, the dissipative synchronisation criterion that has less conservatism is derived. Finally, two examples are provided, one is a simple numerical example to account for the effectiveness of the main results, the other realises the application of this study in establishing a spatiotemporal chaotic cryptosystem to transmit the encrypted image. Furthermore, the proposed cryptosystem has been illustrated to have obvious advantages of large key space and high security by simulation results.
Multi‐sensor fusion SLAM approach for the mobile robot with a bio‐inspired polarised skylight sensor
Authors: Du Tao , Zeng Yun Hao , Yang Jian , Tian Chang Zheng , Bai Peng Fei
Published: October 2020

A multi‐sensor fusion approach for simultaneous localisation and mapping (SLAM) based on a bio‐inspired polarised skylight sensor is presented in this study. The innovation of the proposed approach is that a newly designed bio‐inspired polarised skylight sensor, which is inspired by the navigation principle of desert ant, is introduced to improve the accuracy of SLAM. The measurement equations based on a polarised skylight sensor and a lidar are derived to obtain the orientation and position of the mobile robot and landmarks. Three kinds of non‐linear filters, extended Kalman filter (EKF), unscented Kalman filter, and particle filter, are adopted and compared to fuse the polarised skylight sensor, lidar, and odometry to estimate the position, orientation, and map in the experiments. Simulation tests and experiments are conducted to validate the effectiveness of the proposed method. The simulations show that the EKF–SLAM with the polarised skylight sensor reduces the error of localisation about 30% and the error of mapping about 25%. Experiments indicate that the proposed EKF–SLAM approach can reduce the error of position and the heading angle, which verifies the proposed EKF–SLAM method, can be used for the outdoor with the low‐cost multi‐sensor.
Die Erfolgsgeschichte der OTA und ATA
Authors: Neukamm Benny , Loose André
Published: October 2020

In diesem Jahr feiern die Operationstechnischen Assistentinnen und Assistenten (OTA) ein rundes Jubiläum: Ihre Ausbildung wird 30 Jahre alt. Unsere Autoren lassen die letzten 3 Jahrzehnte Revue passieren, zeichnen die Geschichte der ATA und OTA nach und erläutern, warum die staatliche Anerkennung für beide Berufe dringend notwendig ist.
Nickel-Catalyzed Decarbonylative Alkynylation of Acyl Fluorides with Terminal Alkynes under Copper-Free Conditions
Authors: Nishihara Yasushi , Chen Qiang , Fu Liyan , You Jingwen
Published: October 2020

Nickel-catalyzed decarbonylative alkynylation of acyl fluorides with terminal silylethynes under copper-free conditions is described. This newly developed method has a wide substrate scope, affording internal silylethynes in moderate to high yields. The formation of 1,3-diynes as homocoupled products and conjugate enones as carbonyl-retentive products were effectively suppressed.
Reaction of Lithiated Propargyl Ethers with Carbonyl Compounds – A Regioselective Route to Furan Derivatives
Authors: Reissig Hans-Ulrich , Linder Igor , Klemme Robby
Published: October 2020

The deprotonation of 3-aryl-substituted alkyl propargyl ethers with n-butyllithium provides an ambident anion that reacts with carbonyl compounds to provide mixtures of γ-substituted products with alkoxyallene substructure and of α-substituted propargyl ethers. The ratio of the two product types strongly depends on the solvent: in diethyl ether the γ-substituted products predominate whereas the more polar tetrahydrofuran favors the α-adducts. The primary addition products undergo 5-endo-trig or 5-endo-dig cyclizations under various reaction conditions to afford isomeric furan derivatives. The highest selectivity in favor of α-substituted products was achieved by employing a MOM-protected propargyl ether. During the protonation step no evidence for a proton shift leading to an isomeric allenyl anion was found. A brief mechanistic discussion tries to rationalize the observed regio­selectivities.
Long-Term Postoperative Total Knee Arthroplasty Flexion Scores in Relation to Body Mass Index
Authors: Siegel Matthew A. , Patetta Michael J. , Fuentes Angie M. , Haleem Armaan S. , Forsthoefel Craig W. , Sood Anshum , Gonzalez Mark H.
Published: October 2020

Knee range of motion (ROM) is an important postoperative measure of total knee arthroplasty (TKA). There is conflicting literature whether patients who are obese have worse absolute ROM outcomes than patients who are not obese. This study analyzed whether preoperative body mass index (BMI) influences knee ROM after patients' primary TKA. A retrospective investigation was performed on patients, who underwent primary TKA at an academic institution, by one of three fellowship-trained adult reconstruction surgeons. Patients were stratified according to their preoperative BMI into nonobese (BMI < 30.0 kg/m2) and obese (BMI ≥ 30.0 kg/m2) classifications. Passive ROM was assessed preoperatively as well as postoperatively at patients' most recent follow-up visit that was greater than 2 years. Mann–Whitney U tests were performed to determine statistical significance at p-value <0.05 for ROM outcomes. No statistically significant differences were observed when ROM in the nonobese group was compared with ROM in the obese group both preoperatively (105.73 ± 11.58 vs. 104.14 ± 13.58 degrees, p-value = 0.417) and postoperatively (105.83 ± 14.19 vs. 104.49 ± 13.52 degrees, p-value = 0.777). Mean follow-up time for all patients was 4.49 ± 1.92 years. In conclusion, long-term postoperative ROM outcomes were similar between patients who were nonobese and patients who were obese.
Application of the gyrokinetic velocity moment theory in finite beta plasma
Authors: Zhang Debing , Xu Yingfeng , Yu Limin , Xue Erbing , Zheng Shuyu , Zhang Xianmei
Published: October 2020

The calculation of the velocity moment in the gyrokinetic theory is investigated in the finite beta plasma. According to the scalar invariance property in the Lie-transform method, the particle velocity in terms of the gyrocenter coordinates is derived, where the drift velocity driven by the second-order Hamiltonian is illustrated. The parallel component of particle velocity is found to be the same as that from the pull-back transformation of the parallel velocity variable v¯∥. The parallel and perpendicular velocity moments are systematically calculated according to the parallel and perpendicular components of particle velocity. The poloidal Reynolds stress (PRS) driven by the electromagnetic fluctuation is illustrated. By considering the magnetic drift resonance in the quasilinear analysis, the PRS contains two parts: one is related to the electrostatic fluctuation and the other is related to the parallel magnetic vector fluctuation; compared to the case with the electrostatic fluctuation, the PRS in the case with the electromagnetic fluctuation is enhanced by the electromagnetic effects, which may be beneficial for the enhancement of zonal flows and the reduction of turbulent transport.
Assessing the limits of determinism and precision in ultrafast laser ablation
Authors: Garcia-Lechuga M. , Gebrayel El Reaidy G. , Ning H. , Delaporte P. , Grojo D.
Published: October 2020

Although ultrafast lasers provide unique capabilities for advanced manufacturing, important challenges remain since super-resolution naturally conflicts with high repeatability in material processing. In this work, we perform statistical analyses of ablation precision at varying pulse durations, down to the sub-picosecond regime. By comparing the results with a “noise model” accounting for laser fluctuations, we establish that pulses shorter than 200 fs allow us to obtain the highest achievable level of determinism. Our model is a simple extension of an extensively used method proposed by Liu in which error propagation theory is applied to allow us to derive and reach the limits of precision and reproducibility in laser machining. Its validity is confirmed by an experimental demonstration in which reproducible features as small as 1/10 of the beam size are produced with a stable laser source exhibiting energy fluctuations of 0.3%.
Picosecond ultrasonics for elasticity-based imaging and characterization of biological cells
Authors: Pérez-Cota Fernando , Fuentes-Domínguez Rafael , La Cavera Salvatore , Hardiman William , Yao Mengting , Setchfield Kerry , Moradi Emilia , Naznin Shakila , Wright Amanda , Webb Kevin F. , Huett Alan , Friel Claire , Sottile Virginie , Elsheikha Hany M. , Smith Richard J. , Clark Matt
Published: October 2020

Characterization of the elasticity of biological cells is growing as a new way to gain insight into cell biology. Cell mechanics are related to most aspects of cellular behavior, and applications in research and medicine are broad. Current methods are often limited since they require physical contact or lack resolution. From the methods available for the characterization of elasticity, those relying on high frequency ultrasound (phonons) are the most promising because they offer label-free, high (even super-optical) resolution and compatibility with conventional optical microscopes. In this Perspective contribution, we review the state of the art of picosecond ultrasonics for cell imaging and characterization, particularly for Brillouin scattering-based methods, offering an opinion for the challenges faced by the technology. The challenges are separated into biocompatibility, acquisition speed, resolution, and data interpretation and are discussed in detail along with new results.