bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dynamics of deterministically positioned single‐bond surface‐enhanced Raman scattering from DNA origami assembled in plasmonic nanogaps
Authors: Chikkaraddy Rohit , Turek Vladimir A , Lin Qianqi , Griffiths Jack , de Nijs Bart , Keyser Ulrich F , Baumberg Jeremy J 
Published: September 2020

AbstractWe study the dynamics of single bonds through the surface‐enhanced Raman scattering (SERS) from single SERS‐marker molecules containing a distinctive single alkyl bond. Assembly of the nanogaps and positioning of single molecules inside the electromagnetic hotspot are precisely controlled using DNA origami constructs. The observed SERS intensities and their spectral wandering, together with electromagnetic simulations, all confirm the role of picocavities in this nanogap geometry in allowing observation of SERS signatures from individual vibrating bonds. The strong electromagnetic field around each picocavity and the transient binding of the SERS‐marker molecule reveal significant modifications to bond vibrations and selection rules over time.
Traveller‐generated destination image: Analysing Flickr photos of 193 countries worldwide
Authors: Taecharungroj Viriya , Mathayomchan Boonyanit 
Published: September 2020

AbstractThe purpose of this research is to introduce a method that utilises a combination of Google Cloud Vision AI's label detection and a topic‐modelling algorithm, latent Dirichlet allocation, to identify common destination images and to compare destinations worldwide. The study analyses 283,912 photos of 193 countries from Flickr.com, and 16 cognitive image attributes (CIAs) are identified. Subsequent hotspot analyses indicate the exact locations of these CIAs in three sample countries: France, the US, and Thailand. Destination marketing organisations (DMOs) can use this method to more effectively analyse and promote destinations during and after the COVID‐19 pandemic.
Mass Spectrometric Analysis of Sphingomyelin with N‐α‐Hydroxy Fatty Acyl Residue in Mouse Tissues
Authors: Ali Hanif , Yamashita Ryouhei , Morishige Jun‐ichi , Morito Katsuya , Kakiuchi Naoya , Hayashi Junji , Aihara Mutsumi , Kawakami Ryushi , Tsuchiya Koichiro , Tanaka Tamotsu 
Published: September 2020

AbstractSphingomyelin (SM) with N‐α‐hydroxy fatty acyl residues (hSM) has been shown to occur in mammalian skin and digestive epithelia. However, the metabolism and physiological relevance of this characteristic SM species have not been fully elucidated yet. Here, we show methods for mass spectrometric characterization and quantification of hSM. The hSM in mouse skin was isolated by TLC. The hydroxy hexadecanoyl residue was confirmed by electron impact ionization‐induced fragmentation in gas chromatography–mass spectrometry. Mass shift analysis of acetylated hSM by time of flight mass spectrometry revealed the number of hydroxyl groups in the molecule. After correcting the difference in detection efficacy, hSM in mouse skin and intestinal mucosa were quantified by liquid chromatography–tandem mass spectrometry, and found to be 16.5 ± 2.0 and 0.8 ± 0.4 nmol/μmol phospholipid, respectively. The methods described here are applicable to biological experiments on hSM in epithelia of the body surface and digestive tract.
Evaluation of endemic Chilean plant‐based Chañar extract (Geoffroea decorticans) as an inhibitor of corrosion for A36 steel under a saline environment
Authors: Díaz‐Gómez Andrés , Vera Rosa , Chacón Alexandra , Aguilar Luis F. 
Published: September 2020

AbstractThe use of inhibitors is one of the most practical modern methods in preventing and protecting against metal and alloy pipe corrosion. Exploring such additional inhibitors, particularly of natural origins, has become a key area of research. The present work, thus, evaluates the extract of a desert plant fruit, endemic to northern Chile, called Chañar (Geoffroea decorticans), as an inhibitor for the corrosion of A36 steel under a saline environment. Extract inhibition efficiency was evaluated by mass loss, polarization curves, and electrochemical impedance spectroscopy, and surface morphology of the steel after assays was analyzed by scanning electron microscopy. Results showed the formation of a smooth surface on the steel in the presence of the extract and a rough surface in the absence of the extract; also, polarization curves indicated an inhibition efficiency of approximately 82% at a concentration of 200ppm extract, corroborated by electrochemical impedance spectroscopy. The adsorption of the extract on the steel surface follows Langmuir's isotherm model, for which thermodynamic parameters suggest a physisorption mechanism.
SMARTS.plus – A Toolbox for Chemical Pattern Design
Authors: Ehrt Christiane , Krause Bennet , Schmidt Robert , Ehmki Emanuel S. R. , Rarey Matthias 
Published: September 2020

AbstractThe number of publications concerning Pan‐Assay Interference Compounds and related problematic structural motifs in screening libraries is constantly growing. In consequence, filter collections are merged, extended but also critically discussed. Due to the complexity of the chemical pattern language SMARTS, an easy‐to‐use toolbox enabling every chemist to understand, design and modify chemical patterns is urgently needed. Over the past decade, we developed a series of software tools for visualizing, editing, creating, and analysing chemical patterns. Herein, we highlight how most of these tools can now be easily used as part of the novel SMARTS.plus web server (https://smarts.plus/). As a showcase, we demonstrate how researchers can apply the web server tools within minutes to derive novel SMARTS patterns for the filtering of frequent hitters from their screening libraries with only a little experience with the SMARTS language.
How Microbial Food Fermentation Supports a Tolerant Gut
Authors: Poppe Jonas , van Baarle Lies , Matteoli Gianluca , Verbeke Kristin 
Published: September 2020

AbstractThe gastrointestinal tract harbors a complex resident microbial ecosystem, comprising over 500 species, spanning commensals, mutualist, opportunistic, and professional pathogens thriving on undigested food components originating from the diet and endogenous secretions. Despite this high concentration of food and bacterial antigens, a healthy gut has a near absent level of inflammation, a status called intestinal immune homeostasis. This immune homeostasis is built and maintained in the presence, and interestingly, with cooperation of the microbiota. The microbiota ferments undigested food components into a wide variety of metabolites, some of which interact with the intestinal immune system. In particular short‐chain fatty acids, aryl hydrocarbon receptor ligands, and bile acid metabolites have been involved in the induction of intestinal immune homeostasis. The production of these metabolites is influenced by the microbial load and community structure, as well as the availability of substrates and the gut environment which are directly or indirectly modulated by food intake. In this manuscript, the factors that influence the production of these metabolites and their interaction with the immune cells that play key roles in maintaining intestinal immune homeostasis in the healthy gut are reviewed.
A Combination of Single Nucleotide Polymorphisms is Associated with the Interindividual Variability of Cholesterol Bioavailability in Healthy Adult Males
Authors: Desmarchelier Charles , Wolff Estelle , Defoort Catherine , Nowicki Marion , Morange Pierre‐Emmanuel , Alessi Marie‐Christine , Valéro René , Nicolay Alain , Lairon Denis , Borel Patrick 
Published: September 2020

ScopeCholesterol bioavailability displays a high interindividual variability, partly due to genetic factors. Existing studies have focused on single nucleotide polymorphisms (SNPs) analyzed individually, which only explained a minor fraction of the variability of this complex phenotype. The aim is to identify a combination of SNPs associated with a significant part of the variability in cholesterol bioavailability.Methods and resultsThirty‐nine healthy adult males are given a standard test snack containing 80 mg heptadeuterated (D7) cholesterol. The plasma D7‐cholesterol concentration is measured at equilibrium 40 h after test snack intake. The D7‐cholesterol response (D7‐cholesterol/total cholesterol concentration) exhibits a relatively high interindividual variability (CV = 32%). The association of exonic SNPs in candidate genes (188 genes involved in or related to cholesterol metabolism) with the plasma D7‐cholesterol response is assessed by univariate statistics followed by partial least squares regression. A significant model (p‐value after cross‐validation ANOVA = 1.64 × 10−7) that includes 8 SNPs (SOAT2‐rs9658625, DNAH11‐rs11768670, LIPC‐rs690, MVK‐rs2287218, GPAM‐rs10787428, APOE‐rs7412, CBS‐rs234706, and WRN‐rs1801196) explains 59.7% of the variance in cholesterol bioavailability (adjusted R²).ConclusionHere a combination of SNPs is significantly associated with the variability in dietary cholesterol bioavailability in healthy adult males.
A Novel LC‐MS Based Targeted Metabolomic Approach to Study the Biomarkers of Food Intake
Authors: Tang Yao , Zhu Yingdong , Sang Shengmin 
Published: September 2020

ScopeIn this work, an integrated strategy is developed for rapid discovery, precise identification, and automated quantification for the biomarkers of food intake (BFIs) for specific food exposure using an ultra‐high‐pressure liquid chromatography‐high‐resolution mass spectrometry (MS) based targeted metabolomics approach.Methods and resultsUsing whole grain (WG) wheat intake as an example, the combination of paired mass distance networking and parallel reaction monitoring analysis is applied to selectively extract and identify WG metabolites in human urine samples. As a result, a total of 76 wheat phytochemical‐derived metabolites, including 17 alkylresorcinol metabolites, 20 benzoxazinoid derivatives, and 39 phenolic acid metabolites are identified. Subsequently, a MS spectral database consisting of the identified metabolites is created by mzVault. The characteristics of identified metabolites from the database are incorporated into the TraceFinder software to establish a quantification platform. Using a standardized urine sample, the authors are able to simultaneously quantify both free and conjugated (sulfate and glucuronide) WG wheat metabolites in real samples without further enzymatic hydrolysis, which is validated by using authentic standards to quantify these metabolites.ConclusionThis novel strategy opens the window to study the biomarkers of specific food intake and make it feasible to validate the BFIs in large‐scale human studies.
3D printed coaxial microwave resonator sensor for dielectric measurements of liquid
Authors: Mohammed Ali Musa , Wang Yi , Lancaster Michael J. 
Published: September 2020

AbstractThis paper presents a coaxial resonator for dielectric measurements of low and medium loss liquids at multiple resonance frequencies up to 8 GHz with the fundamental transverse electromagnetic (TEM) resonant mode at 2 GHz. The measurement is by filling the entire resonator cavity with the material under test and the permittivity of the material is readily extracted using simple equations. This technique provides an easy and accurate extraction method of dielectric properties without any analytical approximation and dedicated software algorithm as used in broadband open coaxial probes or the complex perturbation formula in resonator‐based methods. This significantly reduces the risk of systematic errors from the model approximation. The measured quality factor of the resonator is 2650 to 3500 depending on the resonant mode. This allows for the measurement of samples with loss tangents up to 0.05 (Acetone taken as a reference). The device was made by 3D printing and verified by measurements of several common solvents at all four resonance frequencies. The results obtained agree well with values reported in literature. Further measurements of crude oil samples were carried out and results confirmed with values obtained using other techniques.
Experimental evaluation of the dosimetric impact of intrafraction prostate rotation using film measurement with a 6DoF robotic arm
Authors: Shi Kehuan , Dipuglia Andrew , Booth Jeremy , Alnaghy Saree , Kyme Andre , Keall Paul , Nguyen Doan Trang 
Published: September 2020

PurposeTumor motion during radiotherapy can cause a reduction in target dose coverage and an increase in healthy tissue exposure. Tumor motion is not strictly translational and often exhibits complex six degree‐of‐freedom (6DoF) translational and rotational motion. Although the dosimetric impact of prostate tumor translational motion is well investigated, the dosimetric impact of 6DoF motion has only been studied with simulations or dose reconstruction. This study aims to experimentally quantify the dose error caused by 6DoF motion. The experiment was designed to test the hypothesis that 6DoF motion would cause larger dose errors than translational motion alone through gamma analyses of two‐dimensional film measurements.MethodsFour patient‐measured intrafraction prostate motion traces and four VMAT 7.25 Gy/Fx SBRT treatment plans were selected for the experiment. The traces represented typical motion patterns, including small‐angle rotations (<4°), transient movement, persistent excursion, and erratic rotations (>6°). Gafchromic film was placed inside a custom‐designed phantom, held by a high‐precision 6DoF robotic arm for dose measurements in the coronal plane during treatment delivery. For each combination of the motion trace and treatment plan, two film measurements were made, one with 6DoF motion and the other with the three‐dimensional (3D) translation components of the same trace. A gamma pass rate criteria of 2% relative dose/2 mm distance‐to‐agreement was used in this study and evaluated for each measurement with respect to the static reference film. Two test thresholds, 90% and 50% of the reference dose, were applied to investigate the difference in dose coverage for the PTV region and surrounding areas, respectively. The hypothesis was tested using a Wilcoxon signed‐rank test.ResultsFor each of the 16 plan and motion trace pairs, a reduction in the gamma pass rate was observed for 6DoF motion compared with 3D translational motion. With 90% gamma‐test threshold, the reduction was 5.8% ± 7.1% (P < 0.01). With 50% gamma‐test threshold, the reduction was 4.1% ± 4.8% (P < 0.01).ConclusionFor the first time, the dosimetric impact of intrafraction prostate rotation during SBRT treatment was measured experimentally. The experimental results support the hypothesis that 6DoF tumor motion causes higher dose error than translation motion alone.
Differential involvement of myelinated and unmyelinated nerve fibers in painful diabetic polyneuropathy
Authors: Galosi Eleonora , Di Pietro Giuseppe , La Cesa Silvia , Di Stefano Giulia , Leone Caterina , Fasolino Alessandra , Di Lionardo Andrea , Leonetti Frida , Buzzetti Raffaella , Mollica Cristina , Cruccu Giorgio , Truini Andrea 
Published: September 2020

AbstractBackgroundWe aimed at evaluating the differential involvement of large myelinated Aβ‐, small myelinated Aδ‐, and unmyelinated C‐fibers in patients with diabetic polyneuropathy and how they contribute to neuropathic pain.MethodsWe collected clinical and diagnostic test variables in 133 consecutive patients with diabetic polyneuropathy. All patients underwent Aβ‐fiber mediated nerve conduction study, Aδ‐fiber mediated laser‐evoked potentials and skin biopsy mainly assessing unmyelinated C‐fibers.ResultsPure large‐fiber and small‐fiber polyneuropathy were relatively uncommon; conversely mixed‐fiber polyneuropathy was the most common type of diabetic polyneuropathy (74%). The frequency of neuropathic pain was similar in the three different polyneuropathies. Ongoing burning pain and dynamic mechanical allodynia were similarly associated with specific small‐fiber related variables.ConclusionsDiabetic polyneuropathy mainly manifests as a mixed‐fiber polyneuropathy, simultaneously involving Aβ‐, Aδ‐, and C‐fibers. In most patients, neuropathic pain is distinctly associated with small‐fiber damage. The evidence that the frequency of neuropathic pain does not differ across pure large‐, pure small‐, and mixed‐fiber polyneuropathy, raises the possibility that in patients with pure large‐fiber polyneuropathy nociceptive nerve terminal involvement might be undetected by standard diagnostic techniques.
Appropriate window width for the “clustering index method” in the tibialis anterior muscle
Authors: Sonoo Masahiro , Uesugi Haruo , Ogawa Go , Hokkoku Keiichi , Kanbayashi Takamichi , Higashihara Mana , Stålberg Stefan , Stålberg Erik 
Published: September 2020

AbstractWe previously reported a new quantitative analysis of single‐channel surface electromyography (EMG), the “clustering index method” (CI method), in the tibialis anterior muscle, which achieved sufficiently good sensitivity to detect neurogenic or myogenic abnormalities. The window width is a fundamental parameter of the CI method, and was arbitrarily set at 15 ms in that study. In this study, we searched for the most appropriate window width using expanded patient data. The data from our previous study were reanalyzed, and new patients were enrolled. Window width in the CI method was changed from 5 to 27.5 ms with a step of 2.5 ms. For each window width, Z‐score values of individual subjects were calculated and the diagnostic yield was investigated. We enrolled 67 controls, 29 subjects with neurogenic disorders, and 39 with myogenic disorders. When the window width was set at 22.5 ms, the highest sensitivity was achieved both for neurogenic (97%) and myogenic (72%) disorders, with a specificity of 97%. Seven of 10 patients with inclusion body myositis were also abnormal. Reliable results were obtained by collecting 15 epochs per subject. There are two conflicting effects that appear to be best balanced at a window width of 22.5 ms: a wider width decreases the chance that a motor unit potential (MUP) is divided into two adjacent windows, and a narrower width reduces the possibility that an MUP firing at a low‐frequency is counted twice by the differential sequences. CI is promising as a non‐invasive method to diagnose neuromuscular disorders.
Antifouling membrane based on sodium alginate coated polyamide thin film composite for desalination of brackish water
Authors: Kancherla Ravichand , Vadeghar Ramesh Kumar , Ginuga Prabhaker Reddy , Sridhar Sundergopal 
Published: September 2020

AbstractSodium alginate coated polyamide thin film composite (SA/PA‐TFC) membranes were synthesized for the desalination of brackish water through reverse osmosis. Membranes were characterized by Fourier transform infrared spectroscopy, x‐ray diffraction, scanning electron microscopy, AFM, thermogravimetry, and universal testing machine for structural analysis, crystallinity, morphological, compositional, thermal, and mechanical properties, respectively. The effect of feed pressure on water flux and % salt rejection was quantified. Simulation results generated using the commercial process simulator PRO/II were in good agreement with the experimental data. Case studies using simulator were performed for brackish water with different salinity to optimize operating pressure based on product unit cost (PUC) by varying the feed pressure and membrane area. The calculated PUCs were found to be 0.9 and 0.3 $/m3 for corresponding feed total dissolved solids (TDS) concentrations of 5000 and 500 mg/L at an optimum pressure of 10 bar, to achieve a salt rejection of 98% using a membrane area of 335 m2. We believe these membranes are a prospective solution for brackish water desalination.
Recent advances and attempts in synthesis of conjugated nanobelts
Authors: Chen Han , Miao Qian 
Published: September 2020

AbstractConjugated nanobelts are attractive molecules of esthetic appeal, synthetic challenges, unique properties, interesting applications, and potential impacts. The recent years have witnessed significant progress in the synthesis of carbon nanobelts and approaches to a new type of conjugated nanobelts. This review emphasizes two general synthetic strategies to approach conjugated nanobelts, and briefly covers structurally related nanobelts that are not fully conjugated, and finally provides an outlook for new directions in the field.
Plasma agriculture: Review from the perspective of the plant and its ecosystem
Authors: Ranieri Pietro , Sponsel Nicholas , Kizer Jon , Rojas‐Pierce Marcela , Hernández Ricardo , Gatiboni Luciano , Grunden Amy , Stapelmann Katharina 
Published: September 2020

AbstractPlasma agriculture details the role of nonthermal plasma in the development of plants from seeds to crops. Several publications reported enhanced plant growth, improved stress tolerance, and antimicrobial effects of plasma treatment and plasma‐treated water. In this review, we present an overview of the recent plasma agriculture literature and put it in the context of the plant needs and the effects on the plant ecosystem. We will discuss key developmental stages of plants and their needs, the different growth environments from hydroponics to soilless and soil substrates, and the plant microbiome. This review provides the context to design plasma‐based fertilization strategies to address the needs of plants and their ecosystem.
A review on disease burden and epidemiology of childhood parainfluenza virus infections in Asian countries
Authors: Rafeek Rukshan A. M. , Divarathna Maduja V. M. , Noordeen Faseeha 
Published: September 2020

SummaryHuman parainfluenza viruses (HPIVs) are an important cause of acute respiratory tract infections (ARTIs) in children less than 5 years, second only to human respiratory syncytial viruses (HRSVs). Generally, patients infected with HPIVs are treated in outpatient clinics, yet also contribute to ARTI‐associated hospitalization in children. Although HPIV infections are well studied in developed countries, these infections remain under‐investigated and not considered in the routine laboratory diagnosis of childhood ARTI in many developing countries in Asia. We performed an extensive literature search on the prevalence, epidemiology, and burden of HPIV infections in children less than 5 years in Asia using PubMed and PubMed Central search engines. Based on the literature, the prevalence of HPIV infection in Asia ranges from 1% to 66%. According to many studies, HPIV‐3 is the major virus circulating among children; however, several studies failed to detect HPIV‐4 due to unavailability of diagnostic tools. In Asian countries, HPIV contributes a substantial disease burden in children. The data in this review should assist researchers and public health authorities to plan preventive measures, including accelerating research on vaccines and antiviral drugs.
An integral extension technique for continuous homogeneous state‐feedback control laws preserving nominal performance
Authors: Seeber Richard , Moreno Jaime A. 
Published: September 2020

SummaryThis paper proposes a technique to extend a nominal homogeneous state‐feedback control law by continuous or discontinuous integral terms. Compared to pure state feedback, this permits to suppress non‐vanishing perturbations that are either constant or Lipschitz continuous with respect to time. The proposed technique seeks to do this while maintaining nominal performance in the sense that the nominal control signal and closed‐loop behavior is not modified in the unperturbed case. The class of controllers thus obtained is shown to include the well‐known super‐twisting algorithm as a special case. Simulations comparing the technique to other approaches demonstrate its intuitive tuning and show a performance preserving effect also in the perturbed case.