bluuebunny/crossref_metadata_2025_split huggingface dataset:
In vitro digestion of emulsified lard‐based diacylglycerols
Authors: Diao Xiaoqin , Guan Haining , Kong Baohua , Liu Dengyong , Zhang Yonggen 
Published: November 2020

AbstractBACKGROUNDDiacylglycerols as a fat substitute in meat products is a growing area of interest. This study was conducted to analyze the digestion rate, digestion extent, and changes in interfacial properties of lard, glycerolized lard (GL), and purified GL (PGL) in an emulsions system by pH‐stat in vitro digestion.RESULTSPGL had significantly higher hydrolysis rate and final digestion extent than lard (P ≤ 0.05) during in vitro digestion. The analysis on diameter variations of lard, GL, and PGL during digestion indicated that the surface‑ and volume‐weighted mean particle diameters of all samples had the same variation trend, but variation degree was different. Concurrently, the ζ‐potential analysis of the lard, GL, and PGL during the digestion process showed that the absolute values of the ζ‐potentials of the three types of lipids increased at first and subsequently decreased. The microstructure changes results for lard, GL, and PGL showed there was no obvious flocculation, and the particle size of lard throughout the digestion process was larger than that of GL and PGL.CONCLUSIONThis study showed that lard‐based diacylglycerols had high digestibility characteristics and could be applied as a functional lipid in meat products to improve human health. © 2020 Society of Chemical Industry
Solid‐phase microextraction for the human biomonitoring of environmental chemicals: Current applications and future perspectives
Authors: Kim Un‐Jung , Karthikraj Rajendiran 
Published: November 2020

AbstractSample preparation is one of the crucial steps in the analytical chemistry including human biomonitoring studies. Although there are several traditional approaches available, solid‐phase microextraction is emerged as one of the pioneering techniques due to its simplicity, rapidness, wide applicability, and miniaturization of traditional sample preparation (e.g., use of less or no organic solvents). There are few earlier review articles available on the advancements in solid‐phase microextraction and its use for the measurement of environmental chemicals in various types of environmental samples. However, a collective information on applicability and current usage of solid‐phase microextraction for the human biomonitoring of environmental chemicals are scarce, nonetheless, rising demands on innovative analytical approaches for human biomonitoring studies. Hence, in this review article, we covered the application of solid‐phase microextraction as extraction/purification methods for more than 15 classes of environmental chemicals to assess their respective exposure levels and associated health outcomes in various human population reported across the globe. Further, a detailed discussion on various types of matrix used, nature of coupled analytical instrumentations, and limitations and future perspectives of solid‐phase microextraction for human biomonitoring studies is presented in this review.
Gelatin/dextran‐based hydrogel cross‐linked by Diels–Alder click chemistry: the swelling and potassium diclofenac releasing
Authors: Debone Piazza Rodolfo , Brandt João Victor , Carvalho dos Santos Caio , Fernando Costa Marques Rodrigo , Jafelicci Junior Miguel 
Published: November 2020

AbstractIn the present work, gelatin and dextran were derivatized in order to obtain a chemically cross‐linked hydrogel by Diels–Alder click chemistry reaction. The main interest in cross‐linking by the Diels–Alder reaction is the absence of by‐products and mild synthetic conditions, being a great advantage for biomedical applications. Thus, maleic anhydride (MA) and 2‐furoic acid (FA) were successfully grafted onto gelatin and dextran, respectively, making available the diene and dienophile groups for further cross‐linking. The derivatization was evaluated by nuclear magnetic resonance (NMR) spectroscopy, size‐exclusion chromatography (SEC) and differential scanning calorimetry (DSC). The Diels–Alder cross‐linking was confirmed by UV/Vis spectroscopy, and hydrogel behaviour was evaluated by rheological measurements. The hydrogel swelling properties and the cumulative release profile of diclofenac potassium (DFK) were studied in different dissolution media. The increase in swelling capacity was followed by faster DFK releasing from the platform, being the gelatin/dextran‐based Diels–Alder click hydrogel suitable for biomedical applications.
Auto station precipitation data making up using an improved neuro net
Authors: Lu Jing , Zhang Xiakun 
Published: November 2020

AbstractIn the real world, precipitation data of automatic weather stations are easily influenced by direct thunderstrokes, instrument ageing, electromagnetic interference, human operation errors and other factors. When close to the observation time, if the missing automatic station data cannot be corrected in a timely fashion, the whole quality of the station data will be affected. Thus, correct handling of the missing precipitation data to maintain their integrity has important significance. In this paper, we propose a “from coarse to fine” (FCTF) neural network to fill out the missing blanks and experiments show that this method to solve the problem of meteorological data shortage is effective.
Assessing the risk of windshear occurrence at HKIA using rare‐event logistic regression
Authors: Chen Feng , Peng Haorong , Chan Pak‐wai , Ma Xiaoxiang , Zeng Xiaoqing 
Published: November 2020

AbstractLow‐level windshear poses serious hazards to the flight safety of civil aircraft. The objective of the study was to assess the risk of windshear occurrence within 1 hr at runway corridors at Hong Kong International Airport (HKIA). Windshear report records from HKIA and weather data around HKIA were obtained from Hong Kong Observatory (HKO) between January 2016 and December 2018. The rare‐event logistic regression was employed to evaluate windshear risk considering the imbalanced nature of the data. Several explanatory variables were found to be significantly correlated with the risk of the hourly occurrence of the windshear. Results indicated that at HKIA, March, April, July and August are associated with a higher likelihood of windshear events, while November suffered a significantly lower windshear risk. Besides, winds from the east, southeast, south and southwest are more likely to cause windshear events at HKIA. However, the study found that it was hard to predict windshear occurrence precisely only with the hourly weather variables due to the transient and sporadic nature of windshear. Therefore, more refined data are needed to improve the prediction performance of regression models for windshear occurrence. The present study is the first to analyse the windshear occurrence at airports using the rare‐event logistic regression method. Findings from the study can provide some references and valuable information for related researchers to understand low‐level windshear.
Real‐time biomechanics using the finite element method and machine learning: Review and perspective
Authors: Phellan Renzo , Hachem Bahe , Clin Julien , Mac‐Thiong Jean‐Marc , Duong Luc 
Published: November 2020

PurposeThe finite element method (FEM) is the preferred method to simulate phenomena in anatomical structures. However, purely FEM‐based mechanical simulations require considerable time, limiting their use in clinical applications that require real‐time responses, such as haptics simulators. Machine learning (ML) approaches have been proposed to help with the reduction of the required time. The present paper reviews cases where ML could help to generate faster simulations, without considerably affecting the performance results.MethodsThis review details the ML approaches used, considering the anatomical structures involved, the data collection strategies, the selected ML algorithms, with corresponding features, the metrics used for validation, and the resulting time gains.ResultsA total of 41 references were found. ML algorithms are mainly trained with FEM‐based simulations in 32 publications. The preferred ML approach is neural networks, including deep learning in 35 publications. Tissue deformation is simulated in 18 applications, but other features are also considered. The average distance error and mean squared error are the most frequently used performance metrics, in 14 and 17 publications, respectively. The time gains were considerable, going from hours or minutes for purely FEM‐based simulations to milliseconds, when using ML.ConclusionsML algorithms can be used to accelerate FEM‐based biomechanical simulations of anatomical structures, possibly reaching real‐time responses. Fast and real‐time simulations of anatomical structures, generated with ML algorithms, can help to reduce the time required by FEM‐based simulations and accelerate their adoption in the clinical practice.
3D source tracking and error detection in HDR using two independent scintillator dosimetry systems
Authors: Linares Rosales Haydee M. , Johansen Jacob G. , Kertzscher Gustavo , Tanderup Kari , Beaulieu Luc , Beddar Sam 
Published: November 2020

PurposeThe aim of this study is to perform three‐dimensional (3D) source position reconstruction by combining in vivo dosimetry measurements from two independent detector systems.MethodsTime‐resolved dosimetry was performed in a water phantom during HDR brachytherapy irradiation with Ir source using two detector systems. The first was based on three plastic scintillator detectors and the second on a single inorganic crystal (CsI:Tl). Brachytherapy treatments were simulated in water under TG‐43U1 conditions, including a HDR prostate plan. Treatment needles were placed in distances covering a range of source movement of 120 mm around the detectors. The distance from each dwell position to each scintillator was determined based on the measured dose rates. The three distances given by the mPSD were recalculated to a position along the catheter (z) and a distance radially away from the mPSD (xy) for each dwell position (a circumference around the mPSD). The source x, y, and z coordinates were derived from the intersection of the mPSD’s circumference with the sphere around the ISD based on the distance to this detector. We evaluated the accuracy of the source position reconstruction as a function of the distance to the source, the most likely location for detector positioning within a prostate volume, as well as the capacity to detect positioning errors.ResultsApproximately 4000 source dwell positions were tracked for eight different HDR plans. An intersection of the mPSD torus and the ISD sphere was observed in 77.2% of the dwell positions, assuming no uncertainty in the dose rate determined distance. This increased to 100% if 1σ search regions were added. However, only 73(96)% of the expected dwell positions were found within the intersection band for 1(2) σ uncertainties. The agreement between the source’s reconstructed and expected positions was within 3 mm for a range of distances to the source up to 50 mm. The experiments on a HDR prostate plan, showed that by having at least one of the detectors located in the middle of the prostate volume, reduces the measurement deviations considerably compared to scenarios where the detectors were located outside of the prostate volume. The analysis showed a detection probability that, in most cases, is far from the random detection threshold. Errors of 1(2) mm can be detected in ranges of 5–25 (25–50) mm from the source, with a true detection probability rate higher than 80%, while the false probability rate is kept below 20%.ConclusionsBy combining two detector responses, we enabled the determination of the absolute source coordinates. The combination of the mPSD and the ISD in vivo dosimetry constitutes a promising alternative for real‐time 3D source tracking in HDR brachytherapy.
Oral health matters in cognitive impaired aged residents in geriatric care facilities: A cross‐sectional survey
Authors: Chen Lan , Gu Liyan , Li Xianchen , Chen Wenyao , Zhang Lingjuan 
Published: November 2020

AbstractAimsTo investigate the oral health status of aged residents and explore the possible factors associated with oral health and the effect of cognitive impairment (CI) on it in geriatric care facilities (GCF) using oral health assessment tool (OHAT) in Shanghai, China.BackgroundOral health is closely associated with overall health. Problems like missing teeth, dental caries, dental pain, periodontal diseases, oral infections and dysphagia are common in GCFs. Furthermore, residents in GCFs with CI are becoming a dominant group and this prevalence increases with age. Detection of oral problems earlier and taking oral care actions is required for these special populations.MethodsThe study was an observational cross‐sectional study conducted in 42 GCFs. Data were collected from 657 subjects, including oral health assessment (OHAT), cognitive impairment (Mini‐Mental State Examination, MMSE) and respondents’ characteristics. The subjects were divided into CI group and non‐CI group based on MMSE. Oral health conditions were compared between the two groups.ResultsOral health status in the CI group was significantly worse than that in the non‐CI group (p < .001) with four OHAT dimensions (tongue (p = .0007), saliva (p = .0011), natural teeth (p = .0155) and oral cleanliness (p < .001)). The worst dimension was natural teeth. Debris and plaque index (p < .001), oral odour (p < .001), chewing function (p = .0151) and swallowing function (p = .0405) were worse in CI group than those in non‐CI group. In the CI group, providing oral care was a protective factor in oral health (OR = 0.600 95CI% (0.39–0.92)) and wearing dentures was a risk factor (OR = 2.09, 95CI% (1.31–3.32)), while the similar effects were not found in non‐CI group.ConclusionsOral health status among aged residents in GCFs in China was worse among individuals with CI. Caregivers in GCFs should focus more on seniors’ oral health with CI.Relevance to Clinical PracticeResidents who are suffering from CI are more vulnerable to have oral problems. Regular and proper oral health check‐ups in daily nursing work to define oral problems of residents are significant. Nursing staff should pay more attention to oral assessment and effective intervention.
Chemical structure and curing dynamics of bisphenol S, PEEKTM‐like, and resveratrol phthalonitrile thermoset resins
Authors: Dyatkin Boris , Osti Naresh C. , Smith Robert W. , Tyagi Madhusudan , Butler Tristan , Laskoski Matthew 
Published: November 2020

AbstractThis effort provides a multifaceted analysis of the structural changes and material dynamics of thermally driven softening and curing of three distinct phthalonitrile (PN) resins that cross‐link into thermally stable and oxidation‐resistant thermosets. Although this material system has yielded a large subset of fire‐retardant composites that require facile processing and low‐temperature curing, to date, insufficient information had been available on the fundamental processes that drive their softening and curing stages. Our approach conducted a complementary analysis the chemistry, monomer mobility, and rheology of three PN polymers in order to correlate the curing processes with corresponding structural and behavioral transformations of thermosets. We focused on PNs with a bisphenol S backbone, a bisphenol A (PEEKTM‐like) backbone, and a resveratrol backbone. We relied on quasi‐elastic neutron scattering (QENS) in order to analyze the in situ dynamics and self‐diffusion properties of PN monomers, and to track changes in their mobilities during cross‐linking and staging. Our analysis facilitates proper control over the staging and final curing of these resins and enables more efficient processing of these thermosets.
On the first two extremum Zagreb indices and coindices of chemical trees
Authors: Du Zhibin , Ali Akbar , Rafee Rabbia , Raza Zahid , Jamil Muhammad Kamran 
Published: November 2020

AbstractThe first and second Zagreb indices are the molecular descriptors that were appeared within a study of molecular modeling more than four decades ago. The coindex versions of these Zagreb indices were introduced around one decade before. Finding trees with the first two extremum Zagreb indices/coindices from the class of all chemical trees of a fixed order is a chemical‐graph‐theoretic problem whose partial solution is known. This paper is devoted to reporting the complete solution of the aforementioned problem.
N2 electrochemical reduction on two dimensional transition metal monoborides: A density functional theory study
Authors: Xu Shaohua , Qin Gangqiang , Jiang Quan , Cui Qianyi , Du Aijun , Zhao Chongjun , Sun Qiao 
Published: November 2020

AbstractElectrochemical reduction of N2 at ambient conditions is emerging as a promising route and can be powered by sustainable energies. Large overpotential and the competing hydrogen evolution reaction (HER) are the two major issues associated with the N2 reduction. Thus, the development of efficient electrocatalysts with low overpotential is of utmost significance for electrochemical nitrogen reduction reaction (NRR). In this theoretical study, we report a valuable insight toward a novel two dimensional (2D) transition metal monoboride (TMB) material possessing efficient electrocatalysts application for NRR, investigated by density functional theory method. Through systematically exploring the Gibbs free energy of N2 adsorption on the different TMB (TM = Cr, Mn, Fe, Co, Ni and Mo) nanosheets and analyzing adsorption energy of N2H and NH2 species on these catalysts, we found MoB nanosheets may be the optimum choice as an electrocatalyst for NRR. Moreover, our results also indicate that NRR on MoB nanosheets via the enzymatic pathway is the most favored pathway and *NH*NH → *NH*NH2 is potential‐limiting step with a very low applied overpotential of 0.14 V. In addition, the limiting potentials of NRR (−0.30 V) and HER (−0.48 V) on MoB nanosheet suggest that NRR is prefer to happen on the catalyst. Overall, this study demonstrates that MoB nanosheets as a novel 2D monolayer, which might be utilized as an efficient electrocatalyst for NRR at ambient conditions.
Global optimization of chemical cluster structures: Methods, applications, and challenges
Authors: Zhang Jun , Glezakou Vassiliki‐Alexandra 
Published: November 2020

AbstractChemical clusters are relevant to many applications in catalysis, separations, materials, and energy sciences. Experimentally, the structure of clusters is difficult to determine, but it is very important in understanding their chemistry and properties. Computational methods can be used to examine cluster structure, however finding the most stable structure is not simple, particularly as the cluster size increases. Global optimization techniques have long been used to tackle the problem of the most stable structure, but such approaches would have to look for a global minimum, while sampling local minima over the whole potential energy surface as well. In this review, the state‐of‐the‐art theory of global optimization theory is summarized. First, the definition, significance, relation to experiments, and a brief history of global optimization is presented. We then discuss, in more detail, three versatile global optimization methods: the basin hopping, the artificial bee colony algorithm, and the genetic algorithm. We close with some representative application examples of global optimization of clusters since 2016 and the challenges, open questions and opportunities in this field.
Recapturing embryonic potential in the adult epicardium: Prospects for cardiac repair
Authors: Redpath Andia N. , Smart Nicola 
Published: November 2020

AbstractResearch into potential targets for cardiac repair encompasses recognition of tissue-resident cells with intrinsic regenerative properties. The adult vertebrate heart is covered by mesothelium, named the epicardium, which becomes active in response to injury and contributes to repair, albeit suboptimally. Motivation to manipulate the epicardium for treatment of myocardial infarction is deeply rooted in its central role in cardiac formation and vasculogenesis during development. Moreover, the epicardium is vital to cardiac muscle regeneration in lower vertebrate and neonatal mammalian-injured hearts. In this review, we discuss our current understanding of the biology of the mammalian epicardium in development and injury. Considering present challenges in the field, we further contemplate prospects for reinstating full embryonic potential in the adult epicardium to facilitate cardiac regeneration.
Plasma Cytokeratin 18 and fecal Alpha‐1 Antitrypsin concentrations in dogs with osteosarcoma receiving carboplatin chemotherapy
Authors: Taikowski Kathryn , Rudinsky Adam J. , Louke Darian S. , Warry Emma , Fenger Joelle M. 
Published: November 2020

AbstractGastrointestinal (GI) toxicosis is a common side effect of cytotoxic chemotherapy treatment in humans and dogs. Measurement of cytokeratin 18 (CK18), an intracellular structural protein released during epithelial apoptosis, and Alpha1‐Antitrypsin (A1AT) in faeces provides a mechanism for evaluating damage to the intestinal mucosa secondary to cytotoxic chemotherapy. Our goal was to evaluate the clinical utility of plasma CK18 and faecal A1‐AT levels as non‐invasive biomarkers of cytotoxic chemotherapy induced GI toxicity. We conducted a prospective cohort study in dogs (N = 10) with osteosarcoma undergoing amputation followed by carboplatin chemotherapy. We hypothesized that plasma CK18 and faecal A1‐AT levels would increase following carboplatin administration due to drug‐induced GI epithelial damage/apoptosis, and that plasma CK18 and faecal A1‐AT levels would correlate with severity of GI toxicity. Mean baseline plasma CK18 concentration was variable amongst patients; however, CK18 concentration prior to carboplatin chemotherapy treatment was not significantly different from CK18 levels after treatment. There was significant intra and inter‐patient variability in mean faecal A1‐AT levels at baseline. Mean A1‐AT concentration did not change significantly from day 0 to day 21. Gastrointestinal toxicity was minimal; therefore, we were unable to determine the association of plasma CK18 and faecal A1‐AT concentrations with development of GI toxicosis. In this study population, plasma CK18 and faecal A1‐AT concentration were not clinically useful biomarkers for the detection of GI toxicosis secondary to carboplatin administration. Further prospective evaluation of CK18 and A1‐AT as biomarkers of drug‐induced GI toxicity is warranted in a larger cohort of dogs receiving cytotoxic chemotherapy.AVMA clinical trial registration number: AAHSD004827.
n-Laplacians on Metric Graphs and Almost Periodic Functions: I
Authors: Kurasov Pavel , Muller Jacob 
Published: November 2020

AbstractThe spectra of n-Laplacian operators $$(-\Delta )^n$$

(
-
Δ
)

n

on finite metric graphs are studied. An effective secular equation is derived and the spectral asymptotics are analysed, exploiting the fact that the secular function is close to a trigonometric polynomial. The notion of the quasispectrum is introduced, and its uniqueness is proved using the theory of almost periodic functions. To achieve this, new results concerning roots of functions close to almost periodic functions are proved. The results obtained on almost periodic functions are of general interest outside the theory of differential operators.