bluuebunny/crossref_metadata_2025_split huggingface dataset:
Attenuating the increased level of creatinine by N‐acetylcysteine: Raman spectroscopy and density functional theory‐based monitoring of in vitro complexation in aqueous solution
Authors: Gangopadhyay Debraj , Das Moumita , Singh Keshav Kumar , Singh Ranjan K. , Tandon Poonam 
Published: May 2020

AbstractThe role of drug N‐acetylcysteine (NAC) in preventing contrast‐induced nephropathy (CIN) and kidney diseases has been investigated with the help of in vitro Raman spectroscopy and density functional theory (DFT). Renal dysfunction or kidney failure is diagnosed by an increase in serum creatinine (CRN). The exposure to contrast agents during angiography also causes an increase in serum CRN, a condition termed as CIN. NAC is given to such patients, as it is known to prevent the toxic effect of CRN, although its mechanism of action is not clearly known till date. In the present study, we have studied the interaction between CRN and NAC and tried to detect the formation of a stable complex between the two by analyzing the in vitro Raman spectra of aqueous solutions of CRN and NAC mixed in different molar ratios. From the Raman spectral analysis, it is observed that a stable complex is formed at 1:1 molar ratio of CRN and NAC. This complex has been synthesized in the laboratory, and upon drying, it is transparent, gel‐like in appearance, and slightly yellowish in color. The complex is hygroscopic and has much better water solubility than CRN. Fourier‐transform infrared (FT‐IR) and Raman spectral analyses of the synthesized complex show the structural changes taking place because of complexation and provide proof that the complex is stable at room temperature. DFT‐based studies on a number of plausible structures of the complex have also been done to determine the most stable structure of the complex, and the mechanism of its formation has been explored by transition‐state calculations. This study highlights the effective role of NAC in reducing the toxic effect of CRN as the water‐soluble complex of CRN, and NAC is likely to be removed through urine.
Biodegradability and Toxicity of Cellobiosides and Melibiosides
Authors: Hogan David E. , Tian Fei , Malm Scott W. , Kegel Laurel L. , Szabó Lajos Z , Hunjan Anoop S. , Pemberton Jeanne E. , Klimecki Walter T. , Polt Robin , Maier Raina M. 
Published: May 2020

AbstractIn 2014, almost 16 million tons of surfactants were used globally for cleaning and industrial applications. As a result, massive quantities disperse into environmental compartments every day. There is great market interest in developing highly biodegradable, less‐toxic, and renewable alternatives to currently used petroleum‐based surfactants. Glycolipid surfactants, composed of a sugar headgroup and lipid tail, are effective surfactants and emulsifiers with a high tolerance to electrolytes and are easily tailored to address specific needs. The green synthesis and surfactant characteristics of a suite of cellobiosides and melibiosides were recently described. The biodegradability and toxicity of 1°‐alkyl‐O‐cellobiosides, 2°‐alkyl‐O‐cellobiosides, and 1°‐alkyl‐O‐melibiosides with straight‐chain alkyl tails of 8, 10, and 12 are reported in this study. Biodegradability was assessed by quantifying mineralization (CO2 evolution). All of the glycosides were inherently biodegradable and most were readily biodegradable according to OECD and US environmental protection agency (EPA) definitions. The Microtox acute toxicity assay showed both chain length and headgroup had significant effects on toxicity, but most of the molecules were practically nontoxic according to EPA definitions with EC50 values >100 mg L−1. Cytotoxicity to human lung (H1299) and keratinocyte cell lines (HaCaT) was measured by xCELLigence and MTS assays. Cytotoxicity values were comparable to similar glycosides previously reported. IC50 values were determined but in general, exceeded surfactant concentrations that are found in the environment. These data demonstrate the promising nature of these molecules as green alternatives to petrochemical surfactants.
A comparative study of arsenic in rice in lowland and terraced paddies in the Red River Basin, Vietnam
Authors: Tran Chinh T. , Le Thoa T. , Duong Lim T. , Dultz Stefan , Nguyen Minh N. 
Published: May 2020

AbstractArsenic (As) contamination has been identified as a tangible risk related to soil and land degradation, and identifying pristine regions is, therefore, important for the long‐term safety considerations of humans. The Red River Basin is among the largest cultivation regions in Southeast Asia that provides rice for local consumers as well as for exports. While the lowland part of the Red River Delta (RRD) has been recently identified as an area suffering from As risk, little is known about the upland terrace part. In this study, terraced paddy was found to be an ecosystem with a lower accumulation of As. The median As value, , in the terraced paddy soil was 2.22 mg kg−1, while almost no As was detected in the rice grain. The content of soil As of the RRD (= 6.12 mg kg−1) was equal to the global average and led to a significant accumulation of As in rice grain ( = 221 μg kg−1). Among the soil properties, soil water‐soluble silicon (SiH2O) appeared to be the most effective factor for reducing As translocations to rice. As the diminution of available Si can narrow the arable land that produces non or low‐As rice, this is likely an emerging factor that affects land degradation. With its low‐As rice status, the terraced paddy can be highlighted as a pristine part for rice growing. The fact that As accumulates in rice at different levels between terraced and lowland paddy regions can be considered in developing As mitigation strategies or rice repricing.
Rheological, mechanical, and X‐band microwave absorption properties of nickel and nickel‐coated carbon‐filled cyclo‐olefin copolymer composites
Authors: Kurt Gökçe , Kasgoz Alper 
Published: May 2020

AbstractCyclo‐olefin copolymer (COC) composites containing different amounts of nickel (Ni) and/or nickel‐coated carbon (NiC) hybrid fillers were prepared, and their morphological, rheological, mechanical, dielectric, and X‐band microwave absorption properties were examined. Rheological percolation thresholds for Ni and NiC fillers were determined to be in the range of 45 to 60 and 60 to 75 phr, respectively. Both fillers caused no significant increase in melt viscosity at low shear rates. The minimum filler concentrations to obtain acceptable reflection loss (RL) values (RL < −10 dB) were determined as 60 and 45 phr for the Ni and NiC series of samples, respectively. The minimum RL value (RLmin) and the broadest absorption bandwidth were determined as −52.5 dB and 8.2 to 12.5 GHz, respectively, for the composite sample containing 75 phr of Ni, whereas a similar performance could be obtained by the sample containing 45 phr of NiC. Considerable enhancement in the RLmin value could not be provided by the use of hybrid NiC fillers; however, the absorption bandwidth was enlarged, and the minimum sample thicknesses to obtain an acceptable absorption bandwidth were reduced significantly.
The Choice of HLA‐Associated Peptide Enrichment and Purification Strategy Affects Peptide Yields and Creates a Bias in Detected Sequence Repertoire
Authors: Nicastri Annalisa , Liao Hanqing , Muller Julius , Purcell Anthony W. , Ternette Nicola 
Published: May 2020

AbstractUnderstanding the most appropriate workflow for biochemical human leukocyte antigen (HLA)‐associated peptide enrichment prior to ligand sequencing is essential to achieve optimal sensitivity in immunopeptidomics experiments. The use of different detergents for HLA solubilization as well as complementary workflows to separate HLA‐bound peptides from HLA protein complex components after their immunoprecipitation including HPLC, C18 cartridge, and 5 kDa filter are described. It is observed that all solubilization approaches tested led to similar peptide ligand identification rates; however, a higher number of peptides are identified in samples lysed with CHAPS compared with other methods. The HPLC method is superior in terms of HLA‐I peptide recovery compared with 5 kDa filter and C18 cartridge peptide purification methods. Most importantly, it is observed that both the choice of detergent and peptide purification strategy creates a significant bias for the identified peptide sequences, and that allele‐specific peptide repertoires are affected depending on the workflow of choice. The results highlight the importance of employing a suitable strategy for HLA peptide enrichment and that the obtained peptide repertoires do not necessarily reflect the true distributions of peptide sequences in the sample.
Validating Wearable Sensors Using Self‐Reported Instability among Patients with Knee Osteoarthritis
Authors: Na Annalisa , Buchanan Thomas S. 
Published: May 2020

BackgroundSelf‐perceived instability among patients with knee osteoarthritis (OA) is defined as giving way, buckling, or shifting of the knee during activities, especially walking. Although instability is a leading cause of mobility decline with knee OA, methods for quantifying the symptom, determining the mechanisms, and establishing effective interventions remain unclear. Recently, data outputs (ie, linear acceleration and its time‐derivative, jerk) from wearable sensors are showing strong associations with self‐perceived instability among patients with other knee pathologies and may offer insight into OA‐related instability.ObjectiveTo examine discriminant and convergent validity of using data outputs from wearable sensors to quantify self‐reported instability among patients with knee OA.DesignSecondary analysis of a cross‐sectional study.SettingPrimary recruitment from an institutional outpatient physical therapy clinic and collection completed in an institutional research laboratory.PatientsThirty‐nine total participants. The OA group included 26 participants with radiographic evidence of moderate to severe knee OA in the medial compartment; knee pain >3 out of 10, and a walking speed of ≥1.0 m/s. The control group included 13 participants with no history of knee OA. Participants with current or history of low back, hip, or foot/ankle injury; knee replacement; skeletal realignment surgery; or comorbidities that limit walking, pregnancy, and inability to walk without an assistive device were excluded.InterventionsN/AMain Outcome MeasuresData output from wearable sensors at the tibia.ResultsMidstance acceleration (P = .01) and jerk (P = .04) were significantly greater for those with than without knee OA. Acceleration was significantly associated with self‐reported instability (Spearman's rho = −0.63, P < .01).ConclusionsData from wearable sensors are a valid measurement for exploring the mechanisms and risks of instability among patients with knee OA.
“Be sweet to babies”: Use of Facebook as a method of knowledge dissemination and data collection in the reduction of neonatal pain
Authors: Vieira Ana Claudia G. , Bueno Mariana , Harrison Denise 
Published: May 2020

AbstractThe Be Sweet to Babies video demonstrates the analgesic effects of breastfeeding, skin‐to‐skin care, and sweet‐tasting solutions as interventions to reduce pain during blood sampling in newborns. Although effective and safe, these strategies are implemented inconsistently in clinical settings. Given the increasing popularity of social media, there is a potential to disseminate and promote health information through it. The study aim was to evaluate the use of Facebook as a means of disseminating the Be Sweet to Babies video in Portuguese, and to evaluate respondents’ prior knowledge, previous use of the three pain management strategies and intent to use the strategies in the future. We conducted a cross‐sectional study, using the “virtual snowball” sampling method. A Facebook webpage was created, in which the video was posted along with a brief survey. Data analyzed included number of views and visits to the page, number of views of the video, likes, dislikes, and survey responses. One year after posting, the page had 70 753 views and 2199 accesses; there were 1553 “likes”, no dislikes, and 43 positive comments. The survey was completed by 930 respondents (42% response rate based on the page access). Over two thirds of the respondents had previous knowledge about breastfeeding, skin‐to‐skin care, and sweet solutions for pain relief. After watching the video, 87% of the respondents intended to use breastfeeding or skin‐to‐skin care in the future, and 71% intended to use sweet solutions. Almost all viewers rated the video as very useful (n = 917, 99%), easy to understand (n = 926, 99%), and easy to apply in real‐life situations (n = 903, 97%). Using Facebook to deliver and evaluate an intervention is feasible, rapid in obtaining responses, low cost, and it is promising for data collection and knowledge dissemination. Further studies are warranted to evaluate the actual impact of the use of social media in practice change.
Optimized switch‐over between CHNS abundance and CNS isotope ratio analyses by elemental analyzer‐isotope ratio mass spectrometry: Application to six geological reference materials
Authors: Stüeken Eva E. , de Castro Maria , Krotz Liliana , Brodie Christopher , Iammarino Mattia , Giazzi Guido 
Published: May 2020

RationaleElemental abundances and isotopic ratios of carbon, nitrogen, sulfur and hydrogen have become important tools for reconstructing the evolution of Earth and life over geologic timescales, requiring accurate and precise analytical methods with high sample throughput. However, these measurements may require separate instruments for each task, such as an elemental analyzer (EA) with a thermal conductivity detector (TCD) for elemental abundances and an EA interfaced with a mass spectrometer for isotopic ratios.MethodsTo improve sample throughput and laboratory up‐time, we developed a switch that allows converting an EA IsoLink™ system from a standalone mode using only a TCD to a mode for isotope ratio mass spectrometry (IRMS) within minutes. This permits accurate measurements of elemental abundances and isotopic ratios with high throughput and lower cost. We validated this method with six shale standards from the US Geological Survey (USGS) and compared our abundance data with those from another laboratory.ResultsOur results show that (a) abundance data agree well between the different laboratories and setups; (b) reproducible isotopic data can be obtained before and after the switch‐over from EA standalone mode; and (c) the USGS rock standards cover a wide range in CHNS abundances and CNS isotopes, making them ideal reference materials for future geochemical studies.ConclusionsThis ideal analytical setup has the advantage that abundance measurements can be performed to determine optimal sample amounts for later isotopic analyses, ensuring higher data quality. Our setup eliminates the need for a separate EA while freeing up the mass spectrometer for other tasks during abundance measurements.
Multisensor online 3D view planning for autonomous underwater exploration
Authors: Vidal Eduard , Palomeras Narcís , Istenič Klemen , Gracias Nuno , Carreras Marc 
Published: May 2020

AbstractThis study presents a novel octree‐based three‐dimensional (3D) exploration and coverage method for autonomous underwater vehicles (AUVs). Robotic exploration can be defined as the task of obtaining a full map of an unknown environment with a robotic system, achieving full coverage of the area of interest with data from a particular sensor or set of sensors. While most robotic exploration algorithms consider only occupancy data, typically acquired by a range sensor, our approach also takes into account optical coverage, so the environment is discovered with occupancy and optical data of all discovered surfaces in a single exploration mission. In the context of underwater robotics, this capability is of particular interest, since it allows one to obtain better data while reducing operational costs and time. This study expands our previous study in 3D underwater exploration, which was demonstrated through simulation, presenting improvements in the view planning (VP) algorithm and field validation. Our proposal combines VP with frontier‐based (FB) methods, and remains light on computations even for 3D environments thanks to the use of the octree data structure. Finally, this study also presents extensive field evaluation and validation using the Girona 500 AUV. In this regard, the algorithm has been tested in different scenarios, such as a harbor structure, a breakwater structure, and an underwater boulder.
Soil properties and biochemical composition of ground‐dwelling bee nests in agricultural settings
Authors: Lybrand Rebecca A. , Fedenko Jennifer , Tfaily Malak , Rao Sujaya 
Published: May 2020

AbstractSoils deliver under‐recognized ecosystem services by supplying habitat for ground‐dwelling pollinators, such as wild bees and other organisms, that pollinate 80% of insect‐pollinated plants and play a critical role in securing resilient pollination provisions. Our objective is to identify soil properties of ground‐nesting bee nests in agricultural settings of western Oregon. We confirmed ground‐nesting bee and sand wasp activity in seven agricultural sites and one recreational park. Soils from 17 bee and sand wasp nests were analyzed for pH, particle size distribution, and carbon and nitrogen content. We visually confirmed that eight of the nesting bees were sweat bees from theHalictidaefamily and identified a captured bee specimen asLasioglossum(Dialictus) (Hymenoptera:Halictidae). We located two sites with sand wasps where specimens were identified asCercerisandBembix(Hymenoptera:Crabronidae). The organic matter composition of three soil samples scraped from the linings of active nests was assessed using Fourier transform ion cyclotron resonance mass spectrometry (FTICR‐MS). The FTICR‐MS results identified unknown lipid compounds in the nest soil samples, which we hypothesize are waterproofing lipids secreted to line cell walls. Bee nests occurred in slightly acidic, bare‐ground soils with low rock/vegetation coverage and low organic carbon content (<1%) and exhibited significantly higher silt‐plus‐clay fractions (>80%) vs. data published for bee nests in prior work. Our findings present important implications for textural controls on nest site selection in wet, cool environments and demonstrate the importance of integrating soil properties to improve our understanding of ground‐dwelling organisms and associated soil habitats.
Response‐based time‐invariant methods for damage localization on a concrete bridge
Authors: Giordano Pier F. , Limongelli Maria P. 
Published: May 2020

AbstractThis paper is integral part of the Special Issue on “Existing Concrete Structures: Structural Health Monitoring and Testing for condition assessment.” It deals with vibration‐based methods (VBMs) for damage localization that approach the problem of structural integrity management through the analysis of the dynamic response of the structure under ambient or forced vibrations. In the last years, these methods received a widespread interest in the structural health monitoring (SHM) community due to the possibility to use them for continuous SHM and real time damage identification. The performance of these methods is commonly verified on numerical models or laboratory specimens that, by their nature, cannot reproduce all the sources of uncertainties found in practice. The availability of data recorded on a real benchmark, the S101 bridge in Austria, enabled the comparison of three well known vibration‐based time‐invariant methods for damage localization, namely, the curvature method, the interpolation error method, and the strain energy method. The bridge, built in the early 1960, is a typical example of a European highway bridge. Responses to ambient vibrations were recorded both in the undamaged and in several different damage scenarios artificially inflicted to the bridge. This paper reports the results of the application of the three mentioned methods of damage localization to this case study.
Structural prediction of protein interactions and docking using conservation and coevolution
Authors: Andreani Jessica , Quignot Chloé , Guerois Raphael 
Published: May 2020

AbstractKnowledge of the detailed structure of macromolecular interactions is key to a better understanding and modulation of essential cellular functions and pathological situations. Great efforts are invested in the development of improved computational prediction methods, including binding site prediction and protein–protein docking. These tools should benefit from the inclusion of evolutionary information, since the pressure to maintain functional interactions leads to conservation signals on protein surfaces at interacting sites and coevolution between contacting positions. However, unveiling such constraints and finding the best way to integrate them into computational pipelines remains a challenging area of research. Here, we first introduce evolutionary properties of interface structures, focusing on recent work exploring evolutionary mechanisms at play in protein interfaces and characterizing the complexity of evolutionary signals, such as interface deep mutational scans. Then, we review binding site predictors and interface structure modeling methods that integrate conservation and coevolution as important ingredients to improve predictive capacity, ending with a section dedicated to the prediction of binding modes between a globular protein domain and a short motif located within an intrinsically disordered or flexible region. Throughout the review, we discuss practical applications and recent promising developments, in particular regarding the use of coevolutionary information for interface structural prediction and the integration of these coevolution signals with machine learning and deep learning algorithms.This article is categorized under:
Structure and Mechanism > Molecular Structures
Structure and Mechanism > Computational Biochemistry and Biophysics
Molecular and Statistical Mechanics > Molecular Interactions
A near-infrared spectroscopy (NIRS) device unveils oxygenation levels in skeletal muscle and brain of a conscious Harris’s Hawk (Parabuteo unicinctus)
Authors: Doi Kimiaki , Hiwatashi Keisuke , Yokosuka Makoto , Mizuno Risuke 
Published: May 2020

AbstractWe measured the regional saturation of oxygen of hemoglobin (rSO2) and the total hemoglobin index (HbI) in the brain and skeletal muscles of a conscious Harris’s Hawk by a near-infrared spectroscopy device (NIRS). The oxygenation levels of the breast were significantly lower than the cerebral parts. A flight exercise significantly increased the rSO2 and HbI of the breast. The breast surface temperature significantly increased in response to flight training by a thermography. NIRS enabled us to measure changes in the oxygenation levels of brain and skeletal muscles in a conscious Harris’s Hawk before and after a moving task.