bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Parkinson’s disease and two therapeutic interventions on muscle activity during walking: a systematic review
Authors: Islam Aisha , Alcock Lisa , Nazarpour Kianoush , Rochester Lynn , Pantall Annette
Published: September 2020

Gait deficits are a common feature of Parkinson’s disease (PD) and predictors of future motor and cognitive impairment. Understanding how muscle activity contributes to gait impairment and effects of therapeutic interventions on motor behaviour is crucial for identifying potential biomarkers and developing rehabilitation strategies. This article reviews sixteen studies that investigate the electromyographic (EMG) activity of lower limb muscles in people with PD during walking and reports on their quality. The weight of evidence establishing differences in motor activity between people with PD and healthy older adults (HOAs) is considered. Additionally, the effect of dopaminergic medication and deep brain stimulation (DBS) on modifying motor activity is assessed. Results indicated greater proximal and decreased distal activity of lower limb muscles during walking in individuals with PD compared to HOA. Dopaminergic medication was associated with increased distal lower limb muscle activity whereas subthalamic nucleus DBS increased activity of both proximal and distal lower limb muscles. Tibialis anterior was impacted most by the interventions. Quality of the studies was not strong, with a median score of 61%. Most studies investigated only distal muscles, involved small sample sizes, extracted limited EMG features and lacked rigorous signal processing. Few studies related changes in motor activity with functional gait measures. Understanding mechanisms underpinning gait impairment in PD is essential for development of personalised rehabilitative interventions. Recommendations for future studies include greater participant numbers, recording more functionally diverse muscles, applying multi-muscle analyses, and relating EMG to functional gait measures.
Post-GWAS knowledge gap: the how, where, and when
Authors: Pierce Steven E. , Booms Alix , Prahl Jordan , van der Schans Edwin J. C. , Tyson Trevor , Coetzee Gerhard A.
Published: September 2020

Genetic risk for complex diseases very rarely reflects only Mendelian-inherited phenotypes where single-gene mutations can be followed in families by linkage analysis. More commonly, a large set of low-penetrance, small effect-size variants combine to confer risk; they are normally revealed in genome-wide association studies (GWAS), which compare large population groups. Whereas Mendelian inheritance points toward disease mechanisms arising from the mutated genes, in the case of GWAS signals, the effector proteins and even general risk mechanism are mostly unknown. Instead, the utility of GWAS currently lies primarily in predictive and diagnostic information. Although an amazing body of GWAS-based knowledge now exists, we advocate for more funding towards the exploration of the fundamental biology in post-GWAS studies; this research will bring us closer to causality and risk gene identification. Using Parkinson’s Disease as an example, we ask, how, where, and when do risk loci contribute to disease?
Electrical control of coherent spin rotation of a single-spin qubit
Authors: Wang Xiaoche , Xiao Yuxuan , Liu Chuanpu , Lee-Wong Eric , McLaughlin Nathan J. , Wang Hanfeng , Wu Mingzhong , Wang Hailong , Fullerton Eric E. , Du Chunhui Rita
Published: September 2020

Nitrogen vacancy (NV) centers, optically active atomic defects in diamond, have attracted tremendous interest for quantum sensing, network, and computing applications due to their excellent quantum coherence and remarkable versatility in a real, ambient environment. One of the critical challenges to develop NV-based quantum operation platforms results from the difficulty in locally addressing the quantum spin states of individual NV spins in a scalable, energy-efficient manner. Here, we report electrical control of the coherent spin rotation rate of a single-spin qubit in NV-magnet based hybrid quantum systems. By utilizing electrically generated spin currents, we are able to achieve efficient tuning of magnetic damping and the amplitude of the dipole fields generated by a micrometer-sized resonant magnet, enabling electrical control of the Rabi oscillation frequency of NV spins. Our results highlight the potential of NV centers in designing functional hybrid solid-state systems for next-generation quantum-information technologies. The demonstrated coupling between the NV centers and the propagating spin waves harbored by a magnetic insulator further points to the possibility to establish macroscale entanglement between distant spin qubits.
On the topological immunity of corner states in two-dimensional crystalline insulators
Authors: van Miert Guido , Ortix Carmine
Published: September 2020

A higher-order topological insulator (HOTI) in two dimensions is an insulator without metallic edge states but with robust zero-dimensional topological boundary modes localized at its corners. Yet, these corner modes do not carry a clear signature of their topology as they lack the anomalous nature of helical or chiral boundary states. Here, we demonstrate using immunity tests that the corner modes found in the breathing kagome lattice represent a prime example of a mistaken identity. Contrary to previous theoretical and experimental claims, we show that these corner modes are inherently fragile: the kagome lattice does not realize a higher-order topological insulator. We support this finding by introducing a criterion based on a corner charge-mode correspondence for the presence of topological midgap corner modes in n-fold rotational symmetric chiral insulators that explicitly precludes the existence of a HOTI protected by a threefold rotational symmetry.
Vortex fluidic mediated encapsulation of functional fish oil featuring in situ probed small angle neutron scattering
Authors: He Shan , Joseph Nikita , Mirzamani Marzieh , Pye Scott J. , Al-anataki Ahmed Hussein Mohammed , Whitten Andrew E. , Chen Yaonan , Kumari Harshita , Raston Colin L.
Published: September 2020

Major challenges for optimizing the benefits of fish oil on human health are improved bioavailability while overcoming the strong odor and avoiding significant oxidation of the omega-3 polyunsaturated fatty acids (PUFAs). The scalable continuous flow thin film vortex fluidic device (VFD) improves the Tween 20 encapsulation of fish oil relative to conventional homogenization processing, with the fish oil particles significantly smaller and the content of the valuable omega-3 fatty acids higher. In addition, after 14 days storage the remaining omega-3 fatty acids content was higher, from ca 31.0% for raw fish oil to ca 62.0% of freeze-dried encapsulated fish oil. The VFD mediated encapsulated fish oil was used to enrich the omega-3 fatty acid content of apple juice, as a model water-based food product, without changing its sensory values. The versatility of the VFD was further demonstrated in forming homogenous suspensions of fish oil containing water-insoluble bioactive molecules, curcumin and quercetin. We have also captured, for the first time, real-time structural changes in nanoencapsulation by installing a VFD with in in situ small angle neutron scattering. Real-time measurements afford valuable insights about self-assembly in solution.
A global-scale data set of mining areas
Authors: Maus Victor , Giljum Stefan , Gutschlhofer Jakob , da Silva Dieison M. , Probst Michael , Gass Sidnei L. B. , Luckeneder Sebastian , Lieber Mirko , McCallum Ian
Published: September 2020

The area used for mineral extraction is a key indicator for understanding and mitigating the environmental impacts caused by the extractive sector. To date, worldwide data products on mineral extraction do not report the area used by mining activities. In this paper, we contribute to filling this gap by presenting a new data set of mining extents derived by visual interpretation of satellite images. We delineated mining areas within a 10 km buffer from the approximate geographical coordinates of more than six thousand active mining sites across the globe. The result is a global-scale data set consisting of 21,060 polygons that add up to 57,277 km2. The polygons cover all mining above-ground features that could be identified from the satellite images, including open cuts, tailings dams, waste rock dumps, water ponds, and processing infrastructure. The data set is available for download from https://doi.org/10.1594/PANGAEA.910894 and visualization at www.fineprint.global/viewer.
Materials Cloud, a platform for open computational science
Authors: Talirz Leopold , Kumbhar Snehal , Passaro Elsa , Yakutovich Aliaksandr V. , Granata Valeria , Gargiulo Fernando , Borelli Marco , Uhrin Martin , Huber Sebastiaan P. , Zoupanos Spyros , Adorf Carl S. , Andersen Casper Welzel , Schütt Ole , Pignedoli Carlo A. , Passerone Daniele , VandeVondele Joost , Schulthess Thomas C. , Smit Berend , Pizzi Giovanni , Marzari Nicola
Published: September 2020

Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts (1) archival and dissemination services for raw and curated data, together with their provenance graph, (2) modelling services and virtual machines, (3) tools for data analytics, and pre-/post-processing, and (4) educational materials. Data is citable and archived persistently, providing a comprehensive embodiment of entire simulation pipelines (calculations performed, codes used, data generated) in the form of graphs that allow retracing and reproducing any computed result. When an AiiDA database is shared on Materials Cloud, peers can browse the interconnected record of simulations, download individual files or the full database, and start their research from the results of the original authors. The infrastructure is agnostic to the specific simulation codes used and can support diverse applications in computational science that transcend its initial materials domain.
Comparing the visual outcome, visual quality, and satisfaction among three types of multi-focal intraocular lenses
Authors: Paik Dong Won , Park Jun Sang , Yang Chan Min , Lim Dong Hui , Chung Tae-Young
Published: September 2020

This study compared the visual outcome, visual quality, and satisfaction following implantation of the Mix-and-Match bifocal IOLs (+ 2.75 D and + 3.25 D add power Tecnis Multifocal Model), EDOF IOL (Tecnis Symfony IOL), and Trifocal IOL (FineVision PodFT, PhysIOL). All outcomes were compared among the three groups. The manifest refraction indicated that the EDOF group had significantly higher myopic spherical equivalent values than did the others. In the terms of visual acuity, there were no significant differences in far or intermediate visual acuity among the three groups. Only in near (33 cm), the EDOF group had significantly worse binocular visual acuity than did the Trifocal group (p = 0.002). Regarding to defocus curve, the Trifocal group had better defocus curves at near distances (− 2.0 to − 3.5 D; p = 0.001 vs. EDOF) than did the other two groups. In contrast sensitivity test, the EDOF group had relatively lower value than did the other two groups. In reading speed, only at 0.3 logMAR (6.5-point font), Mix-and-Match group had a significantly higher reading speed than did the other two groups (p =  < 0.001 vs. EDOF, p = 0.007 vs. Trifocal). also Mix-and-Match group showed significantly fewer visual artifacts. There were no differences between the three groups in terms of patient satisfaction.

ClinicalTrials.gov number: NCT04019691.
Evolution of isoprenyl diphosphate synthase-like terpene synthases in fungi
Authors: Wei Guo , Eberl Franziska , Chen Xinlu , Zhang Chi , Unsicker Sybille B. , Köllner Tobias G. , Gershenzon Jonathan , Chen Feng
Published: September 2020

Terpene synthases (TPSs) and trans-isoprenyl diphosphate synthases (IDSs) are among the core enzymes for creating the enormous diversity of terpenoids. Despite having no sequence homology, TPSs and IDSs share a conserved “α terpenoid synthase fold” and a trinuclear metal cluster for catalysis, implying a common ancestry with TPSs hypothesized to evolve from IDSs anciently. Here we report on the identification and functional characterization of novel IDS-like TPSs (ILTPSs) in fungi that evolved from IDS relatively recently, indicating recurrent evolution of TPSs from IDSs. Through large-scale bioinformatic analyses of fungal IDSs, putative ILTPSs that belong to the geranylgeranyl diphosphate synthase (GGDPS) family of IDSs were identified in three species of Melampsora. Among the GGDPS family of the two Melampsora species experimentally characterized, one enzyme was verified to be bona fide GGDPS and all others were demonstrated to function as TPSs. Melampsora ILTPSs displayed kinetic parameters similar to those of classic TPSs. Key residues underlying the determination of GGDPS versus ILTPS activity and functional divergence of ILTPSs were identified. Phylogenetic analysis implies a recent origination of these ILTPSs from a GGDPS progenitor in fungi, after the split of Melampsora from other genera within the class of Pucciniomycetes. For the poplar leaf rust fungus Melampsora larici-populina, the transcripts of its ILTPS genes were detected in infected poplar leaves, suggesting possible involvement of these recently evolved ILTPS genes in the infection process. This study reveals the recurrent evolution of TPSs from IDSs since their ancient occurrence and points to the possibility of a wide distribution of ILTPS genes in three domains of life.
Assessing the effect of wind farms in fauna with a mathematical model
Authors: Refoyo Román Pablo , Olmedo Salinas Cristina , Muñoz Araújo Benito
Published: September 2020

Energy production by wind turbines has many advantages. The wind is a renewable energy that does not emit greenhouse gases and has caused a considerable increase in wind farms around the world. However, this type of energy is not completely free of impact. In particular, wind turbines displace and kill a wide variety of wild species what forces us to plan their location well. In any case, the determination of the effects of wind farms on fauna, especially the flying one, is difficult to determine and depends on several factors. In this work, we will try to establish a mathematical algorithm that allows us to combine all variables that affect the species with the idea of quantifying the effect that can cause the installation of a wind farm with certain characteristics in a given place. We have considered specific parameters of wind farms, the most relevant environmental characteristics related to the location of the wind farm, and morphological, ethological and legal characteristics in the species. Two types of assessment are established for the definitive valuation. Total Assessment and Weighted Assessment. Total Valuation is established based on a reference scale that will allow us to establish categories of affection for the different species while Weighted valuation allows us to establish which species are most affected.
Effects of time and temperature during melanging on the volatile profile of dark chocolate
Authors: Clark Caitlin , Bettenhausen Harmonie M. , Heuberger Adam L. , Miller Jeffrey , Yao Linxing , Stone Martha
Published: September 2020

Chocolate made from small-batch production is known for distinct sensory properties that differentiate its products from large-scale production. Specifically, small-batch processing includes a melanging step, a chocolate refining (a process involving time and temperature to refine texture and flavor) process that occurs in a stone wet-grinder. Chocolatiers understand that melanging is essential to flavor and overall quality, however the influence of melanging on the aroma chemistry of the finished chocolate is anecdotal and largely uncharacterized. Here, we evaluated the effects of time and temperature of melanging on the volatile chemistry of the finished chocolate. Specifically, chocolate aroma was profiled using HS/SPME–GC–MS for three different time and temperature combinations. A total of 88 compounds were annotated by mass spectrometry and included a diverse set of chemical classes such as pyrazines, aldehydes, terpenes, alcohols, esters, and ketones. Analysis of variance (ANOVA), principal component analysis (PCA), and partial least squares analysis (PLS) revealed that the overall aroma profile was influenced by the type of melanging, and time had a greater effect than temperature. Example compounds affected by time include 2-methylpropanal, dimethyl sulfide, and benzaldehyde. Particle size was also measured for each sample. Majority particle size was found to be below 25 microns generally at all time points beyond 8 h. Analysis showed significantp-values for the temperature variable for several compounds, but significantp-values for the time variable were apparent for a greater number of compounds. For compounds which showed dependency on both time and temperature, thep-value for the time variable was much smaller in most cases. Both PCA and OPLS analyses suggested the same trends. These data support that time is a critical factor in determining the aroma chemistry of chocolate and affects a diverse set of known flavor active compounds.
In vivo non-invasive staining-free visualization of dermal mast cells in healthy, allergy and mastocytosis humans using two-photon fluorescence lifetime imaging
Authors: Kröger Marius , Scheffel Jörg , Nikolaev Viktor V. , Shirshin Evgeny A. , Siebenhaar Frank , Schleusener Johannes , Lademann Jürgen , Maurer Marcus , Darvin Maxim E.
Published: September 2020

Mast cells (MCs) are multifunctional cells of the immune system and are found in skin and all major tissues of the body. They contribute to the pathology of several diseases including urticaria, psoriasis, atopic dermatitis and mastocytosis where they are increased at lesional sites. Histomorphometric analysis of skin biopsies serves as a routine method for the assessment of MC numbers and their activation status, which comes with major limitations. As of now, non-invasive techniques to study MCs in vivo are not available. Here, we describe a label-free imaging technique to visualize MCs and their activation status in the human papillary dermis in vivo. This technique uses two-photon excited fluorescence lifetime imaging (TPE-FLIM) signatures, which are different for MCs and other dermal components. TPE-FLIM allows for the visualization and quantification of dermal MCs in healthy subjects and patients with skin diseases. Moreover, TPE-FLIM can differentiate between two MC populations in the papillary dermis in vivo—resting and activated MCs with a sensitivity of 0.81 and 0.87 and a specificity of 0.85 and 0.84, respectively. Results obtained on healthy volunteers and allergy and mastocytosis patients indicate the existence of other MC subpopulations within known resting and activated MC populations. The developed method may become an important tool for non-invasive in vivo diagnostics and therapy control in dermatology and immunology, which will help to better understand pathomechanisms involving MC accumulation, activation and degranulation and to characterize the effects of therapies that target MCs.
Poor prognosis of NSCLC located in lower lobe is partly mediated by lower frequency of EGFR mutations
Authors: Lee Hyun Woo , Park Young Sik , Park Sangshin , Lee Chang-Hoon
Published: September 2020

It is controversial whether a tumor located in the lower lobe is related with worse outcome of non-small cell lung cancer (NSCLC). This study aimed to clarify the prognostic role of primary tumor location in NSCLC. Patients newly diagnosed with NSCLC in a tertiary referral hospital from January 2011 to December 2014 were followed up for 5 years. Of the 2,289 NSCLC cases, 911 (39.8%) cases pertained to lower lobe cancers. Patients with lower lobe cancer showed a higher all-cause mortality rate than those with non-lower lobe cancer (48.6% vs. 40.3%, p < 0.001). Patients with lower lobe cancer had a lower proportion of adenocarcinoma histology and epidermal growth factor receptor (EGFR) mutations. Furthermore, compared to patients with non-lower lobe cancer, those with lower lobe cancer had a higher level of tumor markers (neuron-specific enolase and cytokeratin fragment 21-1). Mediation analysis revealed that the association between lower lobe cancer and higher all-cause mortality could be explained by an indirect pathway through EGFR mutations (percent mediated = 17.3%, p = 0.005). The sensitivity analysis for adenocarcinoma patients showed similar results (percent mediated = 18.8%, p = 0.021). Lower lobe cancer is associated with a higher all-cause mortality risk in patients with NSCLC, which is partly mediated by a lower proportion of EGFR mutations.
A digital health intervention for cardiovascular disease management in primary care (CONNECT) randomized controlled trial
Authors: Redfern Julie , Coorey Genevieve , Mulley John , Scaria Anish , Neubeck Lis , Hafiz Nashid , Pitt Chris , Weir Kristie , Forbes Joanna , Parker Sharon , Bampi Fiona , Coenen Alison , Enright Gemma , Wong Annette , Nguyen Theresa , Harris Mark , Zwar Nick , Chow Clara K. , Rodgers Anthony , Heeley Emma , Panaretto Katie , Lau Annie , Hayman Noel , Usherwood Tim , Peiris David
Published: September 2020

Digital health applications (apps) have the potential to improve health behaviors and outcomes. We aimed to examine the effectiveness of a consumer web-based app linked to primary care electronic health records (EHRs). CONNECT was a multicenter randomized controlled trial involving patients with or at risk of cardiovascular disease (CVD) recruited from primary care (Clinical Trial registration ACTRN12613000715774). Intervention participants received an interactive app which was pre-populated and refreshed with EHR risk factor data, diagnoses and, medications. Interactive risk calculators, motivational messages and lifestyle goal tracking were also included. Control group received usual health care. Primary outcome was adherence to guideline-recommended medications (≥80% of days covered for blood pressure (BP) and statin medications). Secondary outcomes included attainment of risk factor targets and eHealth literacy. In total, 934 patients were recruited; mean age 67.6 (±8.1) years. At 12 months, the proportion with >80% days covered with recommended medicines was low overall and there was no difference between the groups (32.8% vs. 29.9%; relative risk [RR] 1.07 [95% CI, 0.88–1.20] p = 0.49). There was borderline improvement in the proportion meeting BP and LDL targets in intervention vs. control (17.1% vs. 12.1% RR 1.40 [95% CI, 0.97–2.03] p = 0.07). The intervention was associated with increased attainment of physical activity targets (87.0% intervention vs. 79.7% control, p = 0.02) and e-health literacy scores (72.6% intervention vs. 64.0% control, p = 0.02). In conclusion, a consumer app integrated with primary health care EHRs was not effective in increasing medication adherence. Borderline improvements in risk factors and modest behavior changes were observed.
Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor
Authors: Olson Linda J. , Misra Sandeep K. , Ishihara Mayumi , Battaile Kevin P. , Grant Oliver C. , Sood Amika , Woods Robert J. , Kim Jung-Ja P. , Tiemeyer Michael , Ren Gang , Sharp Joshua S. , Dahms Nancy M.
Published: September 2020

The cation-independent mannose 6-phosphate receptor (CI-MPR, IGF2 receptor or CD222), is a multifunctional glycoprotein required for normal development. Through the receptor’s ability to bind unrelated extracellular and intracellular ligands, it participates in numerous functions including protein trafficking, lysosomal biogenesis, and regulation of cell growth. Clinically, endogenous CI-MPR delivers infused recombinant enzymes to lysosomes in the treatment of lysosomal storage diseases. Although four of the 15 domains comprising CI-MPR’s extracellular region bind phosphorylated glycans on lysosomal enzymes, knowledge of how CI-MPR interacts with ~60 different lysosomal enzymes is limited. Here, we show by electron microscopy and hydroxyl radical protein footprinting that the N-terminal region of CI-MPR undergoes dynamic conformational changes as a consequence of ligand binding and different pH conditions. These data, coupled with X-ray crystallography, surface plasmon resonance and molecular modeling, allow us to propose a model explaining how high-affinity carbohydrate binding is achieved through allosteric domain cooperativity.
A neoceratopsian dinosaur from the early Cretaceous of Mongolia and the early evolution of ceratopsia
Authors: Yu Congyu , Prieto-Marquez Albert , Chinzorig Tsogtbaatar , Badamkhatan Zorigt , Norell Mark
Published: September 2020

Ceratopsia is a diverse dinosaur clade from the Middle Jurassic to Late Cretaceous with early diversification in East Asia. However, the phylogeny of basal ceratopsians remains unclear. Here we report a new basal neoceratopsian dinosaurBeg tsebased on a partial skull from Baruunbayan, Ömnögovi aimag, Mongolia.Begis diagnosed by a unique combination of primitive and derived characters including a primitively deep premaxilla with four premaxillary teeth, a trapezoidal antorbital fossa with a poorly delineated anterior margin, very short dentary with an expanded and shallow groove on lateral surface, the derived presence of a robust jugal having a foramen on its anteromedial surface, and five equally spaced tubercles on the lateral ridge of the surangular. This is to our knowledge the earliest known occurrence of basal neoceratopsian in Mongolia, where this group was previously only known from Late Cretaceous strata. Phylogenetic analysis indicates that it is sister to all other neoceratopsian dinosaurs.
L-Arginine prevents cereblon-mediated ubiquitination of glucokinase and stimulates glucose-6-phosphate production in pancreatic β-cells
Authors: Cho Jaeyong , Horikawa Yukio , Enya Mayumi , Takeda Jun , Imai Yoichi , Imai Yumi , Handa Hiroshi , Imai Takeshi
Published: September 2020

We sought to determine a mechanism by which L-arginine increases glucose-stimulated insulin secretion (GSIS) in β-cells by finding a protein with affinity to L-arginine using arginine-immobilized magnetic nanobeads technology. Glucokinase (GCK), the key regulator of GSIS and a disease-causing gene of maturity-onset diabetes of the young type 2 (MODY2), was found to bind L-arginine. L-Arginine stimulated production of glucose-6-phosphate (G6P) and induced insulin secretion. We analyzed glucokinase mutants and identified three glutamate residues that mediate binding to L-arginine. One MODY2 patient with GCKE442* demonstrated lower C-peptide-to-glucose ratio after arginine administration. In β-cell line, GCKE442* reduced L-arginine-induced insulin secretion compared with GCKWT. In addition, we elucidated that the binding of arginine protects glucokinase from degradation by E3 ubiquitin ligase cereblon mediated ubiquitination. We conclude that L-arginine induces insulin secretion by increasing G6P production by glucokinase through direct stimulation and by prevention of degradation.
Structure of an anti-PEG antibody reveals an open ring that captures highly flexible PEG polymers
Authors: Huckaby Justin T. , Jacobs Tim M. , Li Zhongbo , Perna Robert J. , Wang Anting , Nicely Nathan I. , Lai Samuel K.
Published: September 2020

Polyethylene glycol (PEG) is a polymer routinely used to modify biologics and nanoparticles to prolong blood circulation and reduce immunogenicity of the underlying therapeutic. However, several PEGylated therapeutics induce the development of anti-PEG antibodies (APA), leading to reduced efficacy and increased adverse events. Given the highly flexible structure of PEG, how APA specifically bind PEG remains poorly understood. Here, we report a crystal structure illustrating the structural properties and conformation of the APA 6-3 Fab bound to the backbone of PEG. The structure reveals an open ring-like sub-structure in the Fab paratope, whereby PEG backbone is captured and then stabilized via Van der Waals interactions along the interior and exterior of the ring paratope surface. Our finding illustrates a strategy by which antibodies can bind highly flexible repeated structures that lack fixed conformations, such as polymers. This also substantially advances our understanding of the humoral immune response generated against PEG.
Phage-based biosensors: in vivo analysis of native T4 phage promoters to enhance reporter enzyme expression
Authors: Duong Michelle M. , Carmody Caitlin M. , Nugen Sam R.
Published: September 2020

Phage-based biosensors have shown significant promise in meeting the present needs of the food and agricultural industries due to a combination of sufficient portability, speed, ease of use, sensitivity, and low production cost.
A reduced polydopamine nanoparticle-coupled sprayable PEG hydrogel adhesive with anti-infection activity for rapid wound sealing
Authors: Sun Junjie , Tan Haoqi , Liu Huan , Jin Dawei , Yin Meng , Lin Haodong , Qu Xue , Liu Changsheng
Published: September 2020

A novel sprayable PEG-PDA hydrogel adhesive can instantly gel to close wounds, providing synergistic antibacterial activities through ROS and hyperthermia.
Transition metal-free coupling reactions of benzylic trimethylammonium salts with di(hetero)aryl disulfides and diselenides
Authors: Li Fuhai , Wang Dan , Chen Hongyi , He Ze , Zhou Lihong , Zeng Qingle
Published: September 2020

Benzylic thioethers and selenoethers with high enantiopurity and yield were synthesized via transition-metal-free coupling reactions of benzylic trimethylammonium salts.
A theoretical study of adsorption on iron sulfides towards nanoparticle modeling
Authors: Kolos Miroslav , Tunega Daniel , Karlický František
Published: September 2020

The adsorption properties of two iron sulfide minerals (mackinawite and pyrite) and zero-valent iron with respect to two small polar molecules (H2O and H2S) and trichloroethylene (TCE) were modeled.
Insights into lithium ion deposition on lithium metal surfaces
Authors: Angarita-Gomez Stefany , Balbuena Perla B.
Published: September 2020

Barriers for desolvation, diffusion through electrolyte, and reduction on metal surface and electrolyte effects are evaluated.
Excited-state intramolecular proton transfer in the kinetic-control regime
Authors: Liu Zong-Ying , Hu Jiun-Wei , Huang Teng-Hsing , Chen Kew-Yu , Chou Pi-Tai
Published: September 2020

A new series of ESIPT molecules has been investigated. We found that these compounds undergo kinetic-control ESIPT and the reaction barriers along proton transfer coordinate can be finetuned by different substitution on amino group.
Synergistic effects of lanthanide surface adhesion and photon-upconversion for enhanced near-infrared responsive photodegradation of organic contaminants in wastewater
Authors: Wang Jiaying , Wang Haiying , Zuo Sijin , Jin Xuming , Zheng Bingzhu , Deng Renren , Liu Weiping , Wang Juan
Published: September 2020

Upconversion nanoparticle-TiO2 catalyst with Gd3+-rich surface shows stronger binding coefficiency to the carboxyl groups, resulting in faster ring cleavage and higher mineralization efficiency of rhodamine B under NIR light irradiation.
Continuous and spontaneous nanoparticle separation by diffusiophoresis
Authors: Seo Myungjin , Park Sungmin , Lee Dokeun , Lee Hyomin , Kim Sung Jae
Published: September 2020

We present a simple but robust nanoparticle separation method based on spontaneously induced diffusiophoresis, which is operated in a continuous manner.
Bio-inspired wettability patterns for biomedical applications
Authors: Chi Junjie , Zhang Xiaoxuan , Wang Yuetong , Shao Changmin , Shang Luoran , Zhao Yuanjin
Published: September 2020

This article reviews the recent progress of the bio-inspired wettability patterns and their biomedical applications.
Data acquisition and imaging using wavelet transform: a new path for high speed transient force microscopy
Authors: Farokh Payam Amir , Biglarbeigi Pardis , Morelli Alessio , Lemoine Patrick , McLaughlin James , Finlay Dewar
Published: September 2020

This paper introduces a fundamentally new approach for dynamic AFM data acquisition and imaging based on applying the wavelet transform on the data stream from the photodetector.
Synthesis, characterisation and applications of core–shell carbon–hexagonal boron nitride nanotubes
Authors: Jones Ruth Sang , Maciejewska Barbara , Grobert Nicole
Published: September 2020

This review explores the rapidly emerging field of hetero-nanotubes consisting of a carbon core and hexagonal boron nitride shell.
Beckmann rearrangement catalysis: a review of recent advances
Authors: Kaur Kamalpreet , Srivastava Suman
Published: September 2020

The Beckmann rearrangement is an elegant transformation and has been used to great success in the synthesis of natural products and pharmaceuticals. In this review, the role of different catalysts as well as different medium for Beckmann rearrangement has been discussed over the last 20 years.
Silylation of silanols with hydrosilanes via main-group catalysis: the synthesis of unsymmetrical siloxanes and hydrosiloxanes
Authors: Kuciński Krzysztof , Stachowiak Hanna , Hreczycho Grzegorz
Published: September 2020

Apart from some specific synthetic solutions, a dehydrogenative coupling of silanols with hydrosilanes seems to be the most atom-economical and practical method for the formation of unsymmetrical siloxanes.
A bio-inspired transpiration ion pump based on MXene
Authors: Li Xiaoyan , Lao Junchao , Li Guojie , Song Jian , Luo Jiayan
Published: September 2020

Proposing a good idea for the construction of biomimetic ion pump that based on macroscale evaporation induces transport of nanofluidic ion in the Ti3C2Tx membrane.
The continuous-flow electrosynthesis of 4-(sulfonylmethyl)isoquinoline-1,3(2H,4H)-diones from N-alkyl-N-methacryloyl benzamides under metal-free and oxidant-free conditions
Authors: Xu Jia , Yang Zhao , Hua Jiawei , Lin Yang , Bian Mixue , Li Yuguang , Liu Chengkou , He Wei , Fang Zheng , Guo Kai
Published: September 2020

An efficient and green electrochemical continuous flow approach has been developed for the synthesis of 4-(sulfonylmethyl)isoquinoline-1,3(2H,4H)-diones through sulfonylation of alkenes under metal-free and oxidant-free conditions.
Phosphorus/nitrogen co-doped and bimetallic MOF-derived cathode for all-solid-state rechargeable zinc–air batteries
Authors: Yang Xing , Wu Xianghua , Guo Zeping , Li Qingyu , Wang Hongqiang , Ke Chujun , Zeng Wei , Qiu Xiafei , He Yun , Liang Xiaoguang , Kim Yoonseob
Published: September 2020

The bimetallic FeNi-MOFs are employed to fabricate P–FeNi and N–carbon co-doped bifunctional catalyst. Due to the enhanced catalytic performance, the peak power density of all-solid-state zinc–air battery is 159 mW cm−2.
Rice husk-SiO2 supported bimetallic Fe–Ni nanoparticles: as a new, powerful magnetic nanocomposite for the aqueous reduction of nitro compounds to amines
Authors: Ghadermazi Mohammad , Moradi Setareh , Mozafari Roya
Published: September 2020

This paper reports a novel green procedure for immobilization of bimetallic Fe/Ni on amorphous silica nanoparticles extracted from rice husk (RH-SiO2).
Hybrid structured CoNi2S4/Ni3S2 nanowires with multifunctional performance for hybrid capacitor electrodes and overall water splitting
Authors: Liu Xiaoyun , Li Qian , Zhang Xin , Jiang Yueqiu
Published: September 2020

Rational design of electrode materials plays a significant role in potential applications such as energy storage and conversion.
An overview of phytochemicals and potential health-promoting properties of black walnut
Authors: Vu Danh C. , Nguyen Trang H. D. , Ho Thi L.
Published: September 2020

Black walnut contains a diverse mixture of bioactive compounds, including phenolics, phytosterols, unsaturated fatty acids, and tocopherols potentially important to human health.
Two 3D Mn-based coordination polymers: synthesis, structure and magnetocaloric effect
Authors: Li Ning-Fang , Han Ye-Min , Li Jia-Nian , Cao Jia-Peng , Du Ze-Yu , Xu Yan
Published: September 2020

Two 3D coordination polymers (MnII6 and MnII12MnIII6) were synthesized. Magnetic studies revealed that they are potential magnetic materials.
Preactivated-thiolated polyacrylic acid/1-vinyl pyrrolidone nanoparticles as nicotine carriers for smoking cessation
Authors: Pornpitchanarong Chaiyakarn , Rojanarata Theerasak , Opanasopit Praneet , Ngawhirunpat Tanasait , Patrojanasophon Prasopchai
Published: September 2020

Preactivated-thiolated AA/VP NPs improved mucoadhesive property and prolonged nicotine release to 12 h.
Bimetallic Au–Pd alloy nanoparticles supported on MIL-101(Cr) as highly efficient catalysts for selective hydrogenation of 1,3-butadiene
Authors: Liu Lili , Zhou Xiaojing , Guo Luxia , Yan Shijuan , Li Yingjie , Jiang Shuai , Tai Xishi
Published: September 2020

Bimetallic Au–Pd alloy particles stabilized by MIL-101(Cr) showed high activity and butene selectivity for 1,3-butadiene hydrogenation reaction.
Sensing-range-tunable pressure sensors realized by self-patterned-spacer design and vertical CNT arrays embedded in PDMS
Authors: Xie Chao , Zhang Min , Du Wei , Zhou Changjian , Xiao Ying , Zhang Shuo , Chan Mansun
Published: September 2020

A pressure sensor design suitable for a broad sensing range with high sensitivity and good stability is highly desirable for the detection of various pressures and meeting the requirements of different applications.
Furo[3,2-c]coumarins carrying carbon substituents at C-2 and/or C-3. Isolation, biological activity, synthesis and reaction mechanisms
Authors: Cortés Iván , Cala L. Javier , Bracca Andrea B. J. , Kaufman Teodoro S.
Published: September 2020

The isolation, synthesis and biological activity of naturally occurring furo[3,2-c] coumarins carrying carbon substituents at C-2 and/or C-3, is discussed. Synthetic approaches toward the properly functionalized heterocyclic motif are also presented.
Numerical analysis of mixing chamber non-uniformities and feed conditions for optimal performance of urea SCR
Authors: Raju Risha , Chandran R Jishnu , Salih A. , Joseph Kuruvilla
Published: September 2020

Non-uniform ammonia concentration distribution in urea SCR.
Student discourse networks and instructor facilitation in process oriented guided inquiry physical chemistry classes
Authors: Liyanage Dilhara , Lo Stanley M. , Hunnicutt Sally S.
Published: September 2020

A novel methodology has been developed to capture student interactions and engagement modes by mapping their discourse in Process Oriented Guided Inquiry Learning (POGIL) physical chemistry courses using graph theory and a modified ICAP (Interactive, Constructive, Active, Passive) framework. This work provides a deeply contextualized description of student teamwork in a POGIL setting with triangulation of data from talk-turn tracking and coding of student engagement. Graphs of student discussions in teams were constructed for 17 students in five teams in two courses taught by different instructors. Combined with the modified ICAP framework, our data illustrate the amount, extent, and quality of discussion along with students’ cognitive engagement. Specific facilitation strategies used by instructors appear to correlate with improved student discussion and interactivity. Such strategies include providing responsive versus prepared lectures and requiring students to publicly share their thinking.
Lithiation of V2O3(SO4)2 – a flexible insertion host
Authors: Linnell Stephanie F. , Payne Julia L. , Pickup David M. , Chadwick Alan V. , Armstong A. Robert , Irvine John T. S.
Published: September 2020

V2O3(SO4)2 acts as a host for lithium ions and offers structural stability upon the insertion of up to 4.0 Li+ ions.
Fuzzy inferencing‐based path planning with a cyber‐physical framework and adaptive second‐order SMC for routing and mobility control in a robotic network
Authors: Nandanwar Anuj , Nair Ranjith Ravindranathan , Behera Laxmidhar
Published: September 2020

In this study, the authors address the problem of optimal routing and relative motion control in a network of robots. The path planning scheme has been designed using a fuzzy‐based potential function employing optimal routing parameters. The optimal routing variables, such as routing probability and the transmission rate are obtained using a discrete optimisation problem. To deal with the disturbances and uncertainties in the physical system, an adaptive second‐order sliding mode control(SMC) scheme has been proposed for the relative motion control of the networks of robots, where the disturbances are estimated using a novel disturbance observer and the controller parameters are updated online using an adaptive tuning algorithm derived based on Lyapunov theory. The robustness of the proposed path planner and the control scheme are validated through simulation as well as through real‐time experimentation based on Pioneer P3‐DX robots. The comparison results based on conventional SMC and adaptive SMC are also drawn.
Dynamic parameter identification of upper‐limb rehabilitation robot system based on variable parameter particle swarm optimisation
Authors: Wang Jin Lei , Li Yafeng , An Aimin
Published: September 2020

To solve the problem of uncertain parameters in dynamic modelling of upper‐limb rehabilitation robots, a dynamic parameter identification method based on variable parameters particle swarm optimisation (PSO) is developed. Based on the dynamic model of the system, the algorithm changes the inertia parameter and learning law of the basic PSO algorithm from the fixed‐parameter to the function that changes with the number of iterations. It solves the problems of small search space in the early stage and slow convergence speed in the later stage of the basic PSO algorithm, which greatly improves its identification accuracy. Finally, through the comparison and analysis of the simulation results, compared with those of the least square (LS) and unmodified PSO identification algorithms, a great improvement in the identification accuracy of the algorithm is achieved. The control effect in the actual control system is also much better than those of the LS and PSO algorithms.
Impact of battery energy storage, controllable load and network reconfiguration on contemporary distribution network under uncertain environment
Authors: Sharma Sachin , Niazi Khaleequr Rehman , Verma Kusum , Rawat Tanuj
Published: September 2020

The design of future distribution systems involves the application of flexible technologies such as renewable‐based distributed generations (DGs), battery energy storage systems (BESSs), demand response for controllable load management and distribution network reconfiguration for achieving assets optimisation and for improving the efficiency of the distribution systems. The renewable‐based DGs are the source of uncertainty that can be overcome by the proper modelling of renewable resources and application of energy storage devices. However, the coordination of these flexible technologies is essential to avoid counterproductive results and to extract maximum possible benefits from these technologies. This work, therefore, aims to study the coordinated impact of controllable load with renewable‐based DGs, BESSs and network reconfiguration for improving the performance of distribution systems. The coordination of these technologies is a very complex optimisation problem due to various constraints associated with charging and discharging of BESSs, complex nature of controllable load management and feeder current limits of distribution network. In this study, an improved water evaporation optimisation algorithm is developed to solve this multi‐constraint complex optimisation problem to minimise the network loss and voltage profile improvement for distribution system. The results show that this coordinated operational problem significantly improves the performance of distribution systems.
Integrated data‐driven framework for fast SCUC calculation
Authors: Yang Yafei , Lu Xiaoyu , Wu Lei
Published: September 2020

Security‐constrained unit commitment (SCUC) is one of the most important optimisation problems for operation planning of power systems. Indeed, with the fast expansion of power grids and the increasing growth of heterogeneous market participants in electricity markets, the day‐ahead SCUC continuously encounters significant performance challenges. To improve the computational performance of SCUC and achieve solutions of good quality, an integrated framework which combines a data‐driven approach and a variable‐aggregation method is presented in this study. The variable‐aggregation method effectively approximates the original network security constraints with a reduced number of variables. Moreover, as aggregated constraints could reduce the feasible region of the original SCUC and potentially degrade solution quality for certain SCUC instances, it is preferable to only apply such an aggregation approach towards difficult SCUC instances. Therefore, a data‐driven classification method, by adopting relevant SCUC input data as features, is integrated to first predict whether a SCUC instance is ‘easy’ or ‘hard’. To this end, the integrated framework could improve the overall performance of SCUC instances, by and large, in terms of computational efficiency and solution quality. Numerical results illustrate the effectiveness of the proposed integrated framework.
Method of multi‐region tumour segmentation in brain MRI images using grid‐based segmentation and weighted bee swarm optimisation
Authors: Mano Abhisha , Anand Swaminathan
Published: September 2020

Multi‐region segmentation plays a major role in numerous medical diagnostics especially brain tumour identification and classification in Magnetic Resonance Imaging (MRI). Brain tumour segmentation is used in medical field for early diagnostics and detection of tumour. The main goal of this work is to improve the performance of detection by using grid based techniques with Weighted Bee Swarm Intelligence and K‐means clustering. This technique is more effective due to hybrid combination of segmentation and optimisation as it seems to possess specific tasks of image information and detection to obtain a detailed and accurate image analysis. Grid based segmentation balance overall computation time and reduces complexity. Weighted Bee Swarm Optimisation is used to optimise segmentation parameters to get maximum performance. The various informative regions such as cerebrospinal fluid, grey matter, white matter are segmented by using proposed algorithm which will be most useful to study and characterise the tumour. The experimental outcomes show that the proposed strategy enhances performance measures in terms of sensitivity and specificity analysis. The performance of this technique is also improved by a factor of 1.5%.