bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemometrics‐assisted liquid chromatography with full scan mass spectrometry for the interference‐free determination of glucocorticoids illegally added to face masks
Authors: Long Wan‐Jun , Wu Hai‐Long , Wang Tong , Xie Li‐Xia , Hu Yong , Fang Huan , Cheng Li , Ding Yu‐Jie , Yu Ru‐Qin 
Published: June 2018

AbstractA smart chemometrics‐assisted strategy that combines the full scan mode of liquid chromatography with mass spectrometry with second‐order calibration method based on alternating trilinear decomposition algorithm was developed for the rapid determination of 15 glucocorticoids including the epimers betamethasone and dexamethasone illegally added into face masks. Fifteen glucocorticoids were rapidly eluted (11 min) under a simple elution program. By means of the second‐order calibration method, 15 target analytes were successfully quantified in the presence of peak overlaps, unknown interferences and baseline drifts. Notably, the epimers, namely, betamethasone and dexamethasone, were simultaneously quantified by the proposed method under a simple elution program. The average spiked recoveries for all target analytes ranged from 87.3 ± 2.2 to 119.4 ± 5.8%. The validation parameters including sensitivity, selectivity, limit of detection, limit of quantitation, and precision were calculated to validate the accuracy of the proposed method, and the quantitative analysis results were further confirmed by liquid chromatography with tandem mass spectrometry. All results proved that the proposed chemometrics‐assisted liquid chromatography with mass spectrometry strategy was an accurate and fast method to determine epimers and multiple glucocorticoids in complex face mask samples.
Periocular CO2 laser resurfacing: severe ocular complications from multiple unintentional laser impacts on the protective metal eye shields
Authors: van Gemert Martin J. C. , Bloemen Paul R. , Wang Wei‐Yong , van der Geld Cees W. M. , Nuijts Rudy M. M. A. , Hortoglu Hayri , Wolkerstorfer Albert , de Bruin Daniel M. , van Leeuwen Ton G. , Neumann H. A. Martino , Jager Martine J. 
Published: June 2018

Background and ObjectivesA 36‐year‐old woman underwent CO2 laser resurfacing for periocular rhytides using protective stainless steel Cox II ocular shields. Immediately after the treatment, corneal lesions were seen in both eyes. The left eye subsequent developed corneal ulceration and scarring, a deformed iris, cataract, and lower eye lashes showing signs of acute burns. The right cornea had a small inferior mid‐peripheral superficial lesion and concomitant lower mid‐peripheral burned eye lashes. Our objective was to determine the most likely cause of these ocular complications.StudyWe estimated temperature–time combinations that could induce corneal injury and cataract. Heat conduction effects from a heated cornea to the lens and from a heated ring of periocular skin to the cornea were computed. The temperature response of a shield following CO2 laser irradiation was determined.ResultsWe computed that cataract can develop when the corneal temperature reaches, for example, 80 °C for 14 seconds. A periocular ring of heated skin contributes little to the corneal temperature. After 7 pulses of consecutive CO2 laser bursts in 7.5 seconds, the total shield area already reached a homogeneous temperature of 63 °C.ConclusionDespite uncertainties in procedural details and modeling of cataract temperatures, the eye injuries were caused beyond doubt by heating of tear‐covered metal eye shields by at least 10 consecutive but unintentional laser impacts. Lasers Surg. Med. 50:980–986, 2018. © 2018 Wiley Periodicals, Inc.
Diet during Pregnancy is Implicated in the Regulation of Hypothalamic RNA Methylation and Risk of Obesity in Offspring
Authors: Kaspi Antony , Khurana Ishant , Ziemann Mark , Connor Timothy , Spolding Briana , Zimmet Paul , Walder Ken , El‐Osta Assam 
Published: June 2018

ScopeEarly life nutrition has long‐lasting influence in adults through key mediators that modulate epigenetic states, although the determinants involved that underlie this response remain controversial. Because of the similarities between metabolic, physiological, and endocrine changes and those occurring in human type 2 diabetes, we studied the interaction of diet during pregnancy regulating RNA adenosine methylation (N6‐methyladenosine [m6A]) and the transcriptome in Psammomys obesus.Methods and resultsBreeding pairs were randomly allocated standard diet (total digestible energy 18 MJ kg−1) or low‐fat diet (15 MJ kg−1). Offspring were weaned onto the low‐fat diet at 4 weeks of age and given ad libitum access, resulting in two experimental groups: 1) male offspring of animals fed a low‐fat diet and weaned onto the low‐fat diet and 2) male offspring of animals fed a standard diet and weaned onto the low‐fat diet. Hypothalamic RNA was used to assess m6A by immunoprecipitation. Parental low‐fat diet alters the metabolic phenotype in offspring. An association between parental diet and hypothalamic m6A was observed in regulating the expression of FTO and METTL3 in the offspring.ConclusionsWe propose the regulatory capacity is now broadened for the first time to include m6A in developmental programming and obesity phenotype.
Current Insights into the Biological Action of Squalene
Authors: Lou‐Bonafonte José M. , Martínez‐Beamonte Roberto , Sanclemente Teresa , Surra Joaquín C. , Herrera‐Marcos Luis V. , Sanchez‐Marco Javier , Arnal Carmen , Osada Jesús 
Published: June 2018

AbstractSqualene is a triterpenic compound found in a large number of plants and other sources with a long tradition of research since it was first reported in 1926. Herein a systematic review of studies concerning squalene published in the last 8 years is presented. These studies have provided further support for its antioxidant, anti‐inflammatory, and anti‐atherosclerotic properties in vivo and in vitro. Moreover, an antineoplastic effect in nutrigenetic‐type treatments, which depends on the failing metabolic pathway of tumors, has also been reported. The bioavailability of squalene in cell cultures, animal models, and in humans has been well established, and further progress has been made in regard to the intracellular transport of this lipophilic molecule. Squalene accumulates in the liver and decreases hepatic cholesterol and triglycerides, with these actions being exerted via a complex network of changes in gene expression at both transcriptional and post‐transcriptional levels. Its presence in different biological fluids has also been studied. The combination of squalene with other bioactive compounds has been shown to enhance its pleiotropic properties and might lead to the formulation of functional foods and nutraceuticals to control oxidative stress and, therefore, numerous age‐related diseases in human and veterinary medicine.
An extended Greenwood‐Williamson modelbased normal interaction law for discrete element modelling of spherical particles with surface roughness
Authors: Zhao Tingting , Feng Y.T. , Wang Min 
Published: June 2018

SummaryThe current work aims to develop an improved random normal interaction law based on an extended Greenwood‐Williamson (GW) model for spherical particles with surface roughness in the discrete element modelling of particle systems. The extended GW model overcomes some theoretical defects of the classic GW model when incorporated into the discrete element framework. Based on 2 nondimensional forms in which only 2 surface roughness parameters are involved, an empirical formula of the improved interaction law is derived by the curve‐fitting technique. The resulting interaction law is incorporated into discrete element modelling to investigate the mechanical response of particle systems with different surface roughness. Numerical simulations are performed to model 1‐dimensional and 3‐dimensional compression tests to explore the macro and micro characteristics of granular particles with surface roughness. The results show that surface roughness makes the initial packing of a particle assembly looser and has a greater influence on looser packed samples as expected, but an assembly with moderate roughness may exhibit a higher strength. The limitations of the current development are also highlighted.
Teaching and evaluation of basic urodynamic skills in urology residency programs: Randomized controlled study
Authors: Shamout Samer , Andonian Sero , Kabbara Hani , Corcos Jacques , Campeau Lysanne 
Published: June 2018

AimsConsidering the growing role of urodynamic studies (UDS) in urology, we aimed to determine the most effective teaching method with objective evaluation for urodynamic skills, to improve training and patient care.MethodsUrology residents (n = 20) post‐graduate years 3‐5 were randomized to receive either a UDS video training module or a standard UDS teaching document one week prior to an objective structured clinical examination (OSCE). The OSCE was a validated visual recognition exam with interpretation of 12 UDS tracing scenarios. Participants rated their proficiency to interpret UDS tracings before doing the OSCE. Total interpretation score was determined by the accuracy of their response to each question ranging from 0 to 2.ResultsThe mean total interpretation score was 13.3 of 24 (55%). The video group achieved significantly higher interpretation scores (15.1 ± 2.08 vs 11.4 ± 2.41, P = 0.0017), and cumulative certainty scores (P = 0.0341). Overall interpretation scores significantly correlated with self‐reported proficiency scores prior to the exam (r = 0.502, P < 0.05), and total certainty scores (r = 0.531, P < 0.05).ConclusionsReviewing a UDS video training module resulted in significantly better scores on objective assessment of urology residents’ UDS interpretation skills when compared with a standard teaching document. These findings must be interpreted with caution in light of sample size and short knowledge retention required for the assessment within a week. Therefore, using a UDS video training module could be more effective review tool for urology residents. These findings highlight the need to incorporate multimedia teaching into urology training curriculum.
Shape optimization using time evolution equations
Authors: Murai Daisuke , Kawamoto Atsushi , Kondoh Tsuguo 
Published: June 2018

SummaryIn this study, we deal with a numerical solution based on time evolution equations to solve the optimization problem for finding the shape that minimizes the objective function under given constraints. The design variables of the shape optimization problem are defined on a given original domain on which the boundary value problems of partial differential equations are defined. The variations of the domain are obtained by the time integration of the solution to derive the time evolution equations defined in the original domain. The shape gradient with respect to the domain variations are given as the Neumann boundary condition defined on the original domain boundary. When the constraints are satisfied, the decreasing property of the objective function is guaranteed by the proposed method. Furthermore, the proposed method is used to minimize the heat resistance under a total volume constraint and to solve the minimization problem of mean compliance under a total volume constraint.
Preservation of vascular endothelial repair in mice with diet‐induced obesity
Authors: Rashid S. T. , Haywood N. J. , Yuldasheva N. Y. , Smith J. , Aziz A. , Scott D. J. A. , Kearney M. T. , Wheatcroft S. B. 
Published: June 2018

SummaryIntroductionPreservation of structural integrity of the endothelial monolayer and maintenance of endothelial cell function are of critical importance in preventing arterial thrombosis, restenosis and atherosclerosis. Obesity has been intimately linked with endothelial dysfunction, and reports of reduced abundance and functional impairment of circulating progenitor cells in obesity have led to the suggestion that defective endothelial repair contributes to obesity‐related cardiovascular disease.MethodsC57BL/6 mice were fed a high‐fat diet for either 3 or 6 months to induce obesity; metabolic phenotyping was then carried out before femoral artery wire injury was performed. Endothelial regeneration was then quantified. Mononuclear cells and myeloid angiogenic cells were cultured and characterized for pro‐angiogenic properties.ResultsNo impairment of endothelial regeneration following mechanical endothelial injury in diet‐induced obese mice when compared with chow‐fed controls was observed, despite the induction of an adverse metabolic phenotype characterized by glucose intolerance and insulin resistance. Dietary‐obese mice had increased numbers of circulating myeloid angiogenic cells, which retained normal functional properties including intact paracrine angiogenic effects.ConclusionPreserved endothelial regeneration despite metabolic dysregulation in dietary obese mice suggests that compensatory mechanisms mitigate the deleterious influence of insulin resistance on endothelial repair in obesity.
Qualitative and quantitative analysis of Teucrium polium essential oil components by GC–MS coupled with MCR and PARAFAC methods
Authors: Nikpour Hamidreza , Mousavi Mehdi , Asadollahzadeh Hamideh 
Published: June 2018

AbstractIntroductionTeucrium polium is a herbal plant which has curative potential and pharmacological characteristics. Therefore, establishment of accurate analytical methods for characterising its active components is of prime importance.ObjectiveBecause of the complex nature of essential oil samples, some results of direct gas chromatography–mass spectrometry (GC–MS) analysis maybe unreliable. Therefore, GC–MS is coupled with chemometric methods to resolve experimental information taken from chromatographic peaks, and assign compounds to them more correctly.MethodsEssential oil of T. Polium of Koohbanan suburb (Kerman, Iran) was extracted by hydro‐distillation. Then the T. polium essential oil was qualitatively analysed using GC–MS coupled with multivariate curve resolution (MCR), to resolve experimental information taken from chromatographic peaks, and assign compounds to them more correctly. After that, the method of parallel factor analysis (PARAFAC) was implemented to quantify the concentrations of five major components of the T. polium essential oil.ResultsThe number of identified components increases from 74 using the direct method of analysis to 106 using the MCR method. It is shown that α‐pinene (8.93 μg/L), cis‐verbenol (3.98 μg/L) and myrtenal (1.02 μg/L) are the most abundant components in the T. polium essential oil.ConclusionBy coupling GC–MS and chemometric resolution methods such as MCR‐alternating least squares (ALS) and PARAFAC more information with higher precision and accuracy can be obtained from raw experimental data. Also, it is shown that by implementing the PARAFAC method on the GC–MS data, it is possible to measure the concentration of the constituents of co‐eluted, overlapped or embedded chromatographic peaks.
Perspectives in the Use of Peptidomics in Ham
Authors: Gallego Marta , Mora Leticia , Toldrá Fidel 
Published: June 2018

AbstractThe use of proteomics in food science has permitted both a better characterization of the food products and the control of their final quality despite the fact that food systems are under continuous changes during processing and consumption. Ham is a very popular meat product frequently consumed in Mediterranean countries after a dry‐curing processing that results in the generation of large amounts of peptides that contribute to its texture, flavor, and final quality. Proteolysis is the main biochemical mechanism occurring throughout the dry‐cured ham processing and a better knowledge of this phenomenon is essential to give an extra value to the product and produce regular batches. In this regard, peptidomics has become an important tool for the characterization of dry‐cured hams in order to identify and quantify bioactive peptides and potential biomarkers, study their stability under processing conditions or gastrointestinal digestion, and search for post‐translational modifications that could affect the quality of dry‐cured hams. This manuscript is reviewing from the first uses of comparative proteomics in dry‐cured ham approaches to the most modern peptidomic studies and their contribution to the advance in meat science.
Quantitative Global Proteome and Lysine Succinylome Analyses Reveal the Effects of Energy Metabolism in Renal Cell Carcinoma
Authors: Zhang Naiwen , Gao Ruxu , Yang Jianyu , Zhu Yuyan , Zhang Zhe , Xu Xiaolong , Wang Jianfeng , Liu Xiankui , Li Zeliang , Li Zhenhua , Gong Daxin , Li Jun , Bi Jianbin , Kong Chuize 
Published: June 2018

AbstractIn light of the increasing incidence of renal cell carcinoma (RCC), its molecular mechanisms have been comprehensively explored in numerous recent studies. However, few studies focus on the influence of multi‐factor interactions during the occurrence and development of RCC. This study aims to investigate the quantitative global proteome and the changes in lysine succinylation in related proteins, seeking to facilitate a better understanding of the molecular mechanisms underlying RCC. LC‐MS/MS combined with bioinformatics analysis are used to quantitatively detect the perspectives at the global protein level. IP and WB analysis were conducted to further verify the alternations of related proteins and lysine succinylation. A total of 3,217 proteins and 1,238 lysine succinylation sites are quantified in RCC tissues, and 668 differentially expressed proteins and 161 differentially expressed lysine succinylation sites are identified. Besides, expressions of PGK1 and PKM2 at protein and lysine, succinylation levels are significantly altered in RCC tissues. Bioinformatics analysis indicates that the glycolysis pathway is a potential mechanism of RCC progression and lysine succinylation may plays a potential role in energy metabolism. These results can provide a new direction for exploring the molecular mechanism of RCC tumorigenesis.
Eccrine Sweat as a Biofluid for Profiling Immune Biomarkers
Authors: Katchman Benjamin A. , Zhu Meilin , Blain Christen Jennifer , Anderson Karen S. 
Published: June 2018

PurposeSweat is a relatively unexplored biofluid for diagnosis and monitoring of disease states. In this study, the proteomic profiling of immune‐related biomarkers from healthy individuals are presented.Experimental DesignEccrine sweat samples are collected from 50 healthy individuals. LC‐MS/MS is performed on two pools of sweat samples from five male and female participants. Individual sweat samples are analyzed by antibody isotyping microarrays (n = 49), human cytokine arrays (n = 30), and quantitative ELISAs for interleukin‐1α (n = 16), epidermal growth factor (n = 6), and angiogenin (n = 7).ResultsIn sweat, 220 unique proteins are identified by shotgun analysis. Detectable antibody isotypes include IgA (100% positive; median 1230 ± 28 700 pg mL−1), IgD (18%; 22.0 ± 119 pg mL−1), IgG1 (96%; 1640 ± 6750 pg mL−1), IgG2 (37%; 292 ± 6810 pg mL−1), IgG3 (71%; 74.0 ± 119 pg mL−1), IgG4 (69%; 43.0 ± 42.0 pg mL−1), and IgM (41%; 69.0 ± 1630 pg mL−1). Of 42 cytokines, three are readily detected in all sweat samples (p < 0.01). The median concentration for interleukin‐1α is 352 ± 521 pg mL−1, epidermal growth factor is 86.5 ± 147 pg mL−1, and angiogenin is 38.3 ± 96.3 pg mL−1. Multiple other cytokines are detected at lower levels.Conclusions and Clinical RelevanceSweat can be used for profiling antibodies and innate immune biomarkers.
Polymorphic Crystallization and Diversified Growth of CaCO3 in HPAM‐HABS‐Na2SiO3 Hybrid Solutions
Authors: Shi Weiguang , Zhang Shangshang , Wang Yanling , Wang Jun , Li Benxian , Liu Xiaoyang , Liu Xiangbin , Wang Qingguo , Cheng Jiecheng 
Published: June 2018

AbstractCaCO3 crystallization is a controversial topic hampered in part by the lack of empirical evidence of the growth of polymorphic crystals. In this work, great effort has been made to investigate the polymorphic crystal growth mechanism and the diversified morphologies, including peanut, shuttle, worm‐like and irregular cubic CaCO3 that occur in hydrolysed polyacrylamide (HPAM) ‐ heavy alkylbenzene sulfonate (HABS) ‐ Na2SiO3 hybrid system. It is verified that silica has an inhibition effect during the phase‐transformation of CaCO3. With the addition of HPAM, a new morphology of CaCO3 composited with CaCO3 fibres was received in the HPAM‐Na2SiO3 mixed solution. In the ternary additive system, the template effect of HPAM is undermined by HABS, and HPAM forms a new polymer‐surfactant complex conformation. Meanwhile, the inhibition effect of silica is weakened with the increase of organics.
Importance of Azo‐Hydrazo Tautomerization in the Oxidative Degradation of Procarbazine by Cytochrome P450: Computational Insights
Authors: Mirzaei Saber , Taherpour Avat Arman , Khalilian Hossein 
Published: June 2018

AbstractThis work provides a comprehensive computational study on the oxidative degradation of prodrug procarbazine as a symmetrically disubstituted hydrazine (SDSH) by the active species of cytochrome P450 enzymes, compound I (Cpd I). Two model compounds, R‐CH2‐NH‐NH‐CH3 (R= Me and Ph), were selected for this study and all possible enzymatic and non‐enzymatic phases of their oxidative degradation were simulated. Procarbazine activation has three enzymatic processes. Dehydrogenation is the first step which leads to the release of azo compound. This step is either spontaneous (R=Me) or has very low barrier high (R=Ph). Azo system has another tautomer, hydrazo, which despite its more stability is not considered hitherto. Second enzymatic phase is the production of azoxy compound from either azo or hydrazo compound. The calculations revealed that the transition state of hydrazo oxidation to form azoxy compound (4.09/8.23 kcal.mol−1 for Me/Ph substituents), is almost half of the N2‐azo oxidation. In final enzymatic step the azoxy converts to hydroxyl‐azoxy compound. The transition state barrier of the third enzymatic phase is also lower for the hydrazo tautomer in comparison to the azo tautomer (6.55 vs. 19.39 kcal.mol−1 for R=Ph). The more stability and lower barrier energy showed very high importance of hydrazo tautomer in the catabolism of SDSH derivatives. The hydroxyl‐azoxy is not stable and undergoes decomposition to generate the metabolites.
Guianofruits A and B from the Fruit Oil of Andiroba (Carapa guianensis, Meliaceae) and Their Effects on LPS‐Activated NO Production
Authors: Sasayama Atsumi , Akita Keiko , Oya Hiroto , Kikuchi Takashi , In Yasuko , Fujitake Mihoyo , Yamada Takeshi , Tanaka Reiko 
Published: June 2018

AbstractTwo novel chukrasone‐type limonoids, Guianofruits A and B (1 and 2) were isolated from the fruit oil of Carapa guianensis AUBLET (Meliaceae), a traditional medicine in Brazil and Latin American countries. Their structures were elucidated based on spectroscopic analyses using 1D and 2D NMR techniques, HRFABMS, and X‐ray crystallography. Compounds 1 and 2 were rare chukrasone‐type limonoids that had once been isolated from Chukrasia tabularis. Compounds 1 and 2 were evaluated for their effects on the production of NO in LPS‐activated mouse peritoneal macrophages. The results of the NO inhibitory assay suggested that compound 1 is valuable as a potential inhibitor of macrophage activation.