bluuebunny/crossref_metadata_2025_split huggingface dataset:
The separation sciences, the front end to proteomics: An historical perspective
Authors: Nice Edouard C. 
Published: October 2020

AbstractIt is now over 25 years since the term proteomics (analysis of the entire protein complement of a cell, tissue, or organism under a specific, defined set of conditions) was originally coined. Since then, the field has advanced rapidly and there are now more than 135,500 publications addressing the field. With current instrumentation it is possible to detect over 10,000 protein forms in a single experiment. The separation of proteins and peptides has been a key component of many of these studies for both sample concentration and enrichment and to reduce the complexity of the samples under analysis, allowing deeper mining of the individual proteomes. In this review, the roles of chromatography, electrophoresis, and other allied techniques in the advancement of the field will be investigated. Key technologies will be presented, and examples given of their application showing how the field has now advanced to a stage where it is enhancing our understanding of the human biology underlying health and disease, and clinical translation, supporting precision/personalized medicine, is now feasible. Clearly the separation sciences have played a key role in many of these advances.
Depression and prostate cancer risk: A Mendelian randomization study
Authors: Chen Xiong , Kong Jianqiu , Diao Xiayao , Cai Jiahao , Zheng Junjiong , Xie Weibin , Qin Haide , Huang Jian , Lin Tianxin 
Published: October 2020

AbstractBackgroundThe association between depression and prostate carcinogenesis has been reported in observational studies but the causality from depression on prostate cancer (PCa) remained unknown. We aimed to assess the causal effect of depression on PCa using the two‐sample Mendelian randomization (MR) method.MethodsTwo sets of genetics instruments were used for analysis, derived from publicly available genetic summary data. One was 44 single‐nucleotide polymorphisms (SNPs) robustly associated with major depressive disorder (MDD) and the other was two SNPs related with depressive status as ever depressed for a whole week. Inverse‐variance weighted method, weighted median method, MR‐Egger regression, MR Pleiotropy RESidual Sum, and Outlier test were used for MR analyses.ResultsNo evidence for an effect of MDD on PCa risk was found in inverse‐variance weighted (OR: 1.12, 95% CI: 0.97‐1.30, p = 0.135), MR‐Egger (OR 0.89, 95% CI: 0.29‐2.68, p = 0.833), and weighted median (OR: 1.08, 95% CI: 0.92‐1.27, p = 0.350). Also, no strong evidence for an effect of depressive status on PCa incidence was found using the inverse‐variance weighted method (OR 0.72, 95% CI: 0.35‐1.47, p = 0.364).ConclusionsThe large MR analysis indicated that depression may not be causally associated with a risk of PCa.
Cajuputones A–C, β‐Triketone Flavanone Hybrids from the Branches and Leaves of Melaleuca cajuputi
Authors: Xu Wen‐Jun , Xie Xin , Wu Lin , Tian Xiao‐Meng , Wang Cheng‐Cheng , Kong Ling‐Yi , Luo Jun 
Published: October 2020

AbstractThree new β‐triketone flavanone hybrids, cajuputones A–C were obtained from Melaleuca cajuputi (the Australian ‘tea tree’). The structures of cajuputones A–C were elucidated by 1D/2D NMR spectroscopy and HR‐ESI‐MS analyses; and their absolute configurations were established by electric circular dichroism (ECD) calculations using TDDFT method. Structurally, cajuputones A–C feature a rare 6/6/6/6 oxatetracyclic ring system fused between an acylphloroglucinol‐derived β‐triketone and a pinocembrin or strobopinin moiety via an angle‐type pyran‐like motif. DFT‐based conformational optimization in chloroform explained the similarity of the 1D NMR data of cajuputones B and C (C‐2 epimers).
Anatomical Investigation and GC/MS Analysis of ‘Coco de Mer’,Lodoicea maldivica(Arecaceae)
Authors: Giuliani Claudia , Pieraccini Giuseppe , Santilli Carolina , Tani Corrado , Bottoni Martina , Schiff Silvia , Fico Gelsomina , Papini Alessio , Falsini Sara 
Published: October 2020

AbstractLodoicea maldivica(J.F.Gmel.) Pers. (Arecaceae), ‘Coco de Mer’, is a palm, growing as endemic in the Seychelles islands. Its fruit weighs up to 20 kg and is characterized by a fleshy and fibrous envelope surrounding the nutlike portion. The present work combines a morpho‐anatomical and a phytochemical analysis of the fruit exocarp and mesocarp.The exocarp is composed by a layer of palisade cells. The mesocarp is characterized by vascular bundles and by sclereids. In the aerenchyma, the internal zone of the mesocarp, cells aggregates were positive to phenols, while idioblasts were positive to terpenes.We performed a GC/MS analysis with a semi‐quantitative relative amount calculation of the recorded compounds.The GC/MS essential oil profile revealed the dominance of acyclic sesquiterpenoids (53.95 %), followed by bicyclic sesquiterpenoids (31.69 %), monoterpenes (11.89 %) and monocyclic sesquiterpenoids (2.44 %).The terpenes detected in higher amounts,β‐caryophyllene and bicyclogermacrene, are known for activity against insect larvae, but have been proposed as antiviral candidates against SARS‐CoV‐2. The third compound in amount, aromadendrene, is active against bacteria and, again, known to possess insecticidal properties.
SARS‐CoV2 disease seen through the prism of acutely decompensated chronic kidney disease and ischemic stroke: What lesson we have learned from using prophylaxis therapy of vascular thromboembolism?
Authors: Hazim Asmaa , Aasfara Jehanne , Slassi Ilham , Canaud Bernard , Haoudar Amal , Naitlhou Abdelhamid , El Kettani Chafik 
Published: October 2020

AbstractOur case underlines the tight management of antithrombotic therapy in the context of acutely decompensated chronic kidney disease, ischemic stroke, and SARS‐CoV2 infection, the development of stroke as a SARS‐CoV2 complication increase the chances of adverse outcomes that may be mitigated by a rapid recognition and institution of available treatments.
Peripheral neuropathy in severe COVID‐19 resolved with therapeutic plasma exchange
Authors: Faqihi Fahad , Alharthy Abdulrahman , Memish Ziad A. , Kutsogiannis Demetrios J. , Brindley Peter G. , Karakitsos Dimitrios 
Published: October 2020

AbstractPeripheral neuropathies including Guillain‐Barré syndrome may be linked to life‐threatening COVID‐19. Plasma exchange is a safe rescue therapy in severe COVID‐19 with associated neurological manifestations and thromboinflammation.
Cross metathesis with acrylates: N‐heterocyclic carbene (NHC)‐ versus cyclic alkyl amino carbene (CAAC)‐based ruthenium catalysts, an unanticipated influence of the carbene type on efficiency and selectivity of the reaction
Authors: Kaczanowska Katarzyna , Trzaskowski Bartosz , Peszczyńska Aleksandra , Tracz Andrzej , Gawin Rafał , Olszewski Tomasz K. , Skowerski Krzysztof 
Published: October 2020

AbstractOlefin metathesis has been widely explored as a handle for chemical diversification, a feature critical across chemical sectors. Cross metathesis (CM) with acrylic acid derivatives is an example of important but, due to the low catalyst's efficiency, industrially non‐utilized transformation. Here we report on systematic evaluation of ruthenium‐based catalysts bearing N‐heterocyclic carbene (NHC) or cyclic alkyl amino carbene (CAAC) ligands in cross metathesis with methyl acrylate. Dramatic influence of the carbene type on the reaction's efficiency and selectivity has been found. Density functional theory (DFT) calculations suggest that the kinetic selectivity is the main factor differentiating NHC‐ and CAAC‐based ruthenium complexes. Productive turnover number (TON) of 49 900 at 10 ppm loading of nitro‐substituted Hoveyda‐Grubbs complex (nitro‐Grela catalyst) was obtained in the studied reaction, representing the highest efficiency reported to date for this transformation. High efficiency and selectivity of nitro‐Grela catalyst was then utilized in cross metathesis of trans‐anethole with 2‐ethylhexyl acrylate to efficiently produce octyl methoxycinnamate (86 % yield), an antioxidant used in sunscreen formulations.
Zr‐MOF‐808 as Catalyst for Amide Esterification
Authors: Villoria‐del‐Álamo Beatriz , Rojas‐Buzo Sergio , García‐García Pilar , Corma Avelino 
Published: October 2020

AbstractIn this work, zirconium‐based metal–organic framework Zr‐MOF‐808‐P has been found to be an efficient and versatile catalyst for amide esterification. Comparing with previously reported homogeneous and heterogeneous catalysts, Zr‐MOF‐808‐P can promote the reaction for a wide range of primary, secondary and tertiary amides with n‐butanol as nucleophilic agent. Different alcohols have been employed in amide esterification with quantitative yields. Moreover, the catalyst acts as a heterogeneous catalyst and could be reused for at least five consecutive cycles. The amide esterification mechanism has been studied on the Zr‐MOF‐808 at molecular level by in situ FTIR spectroscopic technique and kinetic study.
Orbital cellulitis secondary to giant sino‐orbital osteoma: A case report
Authors: Bagheri Abbas , Feizi Mohadeseh , Jafari Reza , Kanavi Mozhgan R. , Raad Nasim 
Published: October 2020

AbstractBackgroundAlthough osteoma is a common benign tumor of the paranasal sinuses, its orbital extension is not common. Secondary orbital cellulitis has rarely been reported in association with sino‐orbital osteoma.CaseA 30‐year‐old woman presented with left side proptosis, orbital pain and inflammation. Orbital CT scan showed a well‐defined giant osteoma in the superonasal part of the left orbit originating from the left ethmoidal sinus associated with opacity of the ipsilateral ethmoidal sinus and infiltration of orbital soft tissue. After treatment by systemic antibiotics, osteoma was resected with combined external and endoscopic surgery and the patient recovered uneventfully.ConclusionSino‐orbital osteoma may manifest primarily as orbital cellulitis and needs early surgical intervention.
Conveying colour research to design practice: Design and evaluation of aweb‐basedcolour tool
Authors: Won Seahwa 
Published: October 2020

AbstractThis study presents a practice‐based research project to develop a colour tool prototype intended to convey colour research to design practice. Both the prototype design and its evaluation by experts are described. A web‐based prototype for a colour tool was cocreated with eight experienced designers and brand managers. The developed prototype is a visual and interactive website that predominantly provides research data on colour meanings in different product categories and cultures. In the evaluation study, an e‐mail survey of experts was conducted to assess the prototype. A senior manager at a leading US colour company and seven academics in the fields of colour, branding and graphic design participated in the survey. As for the results, the prototype generally was deemed useful for design practice. The outcome also emphasized that the prototype has strong potential to play a significant role in providing colour insights and supporting colour judgments, strategy and inspiration. However, the experts also raised several issues concerning the data's scope, an insufficient number of prototype web pages, product category choices, legal issues, data presentation method, data source clarity, and data management. The study's findings provide insight into how colour research can be delivered to design practice using a colour tool.
Modeling spatial trends and enhancing genetic selection: An approach to soybean seed composition breeding
Authors: Bernardeli Arthur , Rocha João Romero Amaral Santos de Carvalho , Borém Aluízio , Lorenzoni Rodrigo , Aguiar Rafael , Silva Jéssica Nayara Basílio , Bueno Rafael Delmond , Alves Rodrigo Silva , Jarquin Diego , Ribeiro Cleberson , Lamas Costa Maximiller Dal‐Bianco 
Published: October 2020

AbstractSpatial variation is a recurrent issue in field trials and can cause obstacles in terms of genetic selection. Analyses that account for spatial variation within location can lead breeders to predict genetic values accurately across locations in multi‐environment trials (METs). The present study aims to fit spatial models for analyzing soybean [Glycine max (L.) Merr.] seed composition traits using a two‐stage analysis pipeline and to assess its efficiency relative to a single‐stage analysis setting. Seed protein content (SPC), seed oil content (SOC), and seed storage protein content (SSP) data were collected from 283 soybean genotypes tested in four environments (C1, C2, V1, and V2). In Stage 1 of the two‐stage analysis, a randomized complete block (RCB) design model as well as four two‐dimensional first‐order (AR1 ⊗ AR1) spatial models were fit in each dataset to determine the most suitable model for genetic prediction. Predicted genetic values were used as input data for Stage 2. The most used spatial model [5] in Stage 1 of this study had accommodated local and global residuals. The autocorrelation estimates depicted spatial trends, especially in terms of rows, while column autocorrelation coefficients were low for C1 and C2 because of the limited number of blocks and their short length. Broad‐sense heritability, mean accuracy, and selection gains were greater for all traits in the two‐stage analysis than in the single‐stage analysis. The two‐stage analysis leveraged the spatial model fitting in the Stage 1 and proved to be advantageous for soybean seed composition breeding.
Phytochemical conjugation as a potential semisynthetic approach toward reactive and reuse of obsolete sulfonamides against pathogenic bacteria
Authors: Swain Shasank S. , Paidesetty Sudhir K. , Padhy Rabindra N. 
Published: October 2020

AbstractThe emergence and reemergence of multidrug‐resistant (MDR) bacteria and mycobacteria in community and hospital periphery have directly enhanced the hospitalization costs, morbidity and mortality, globally. The appearance of MDR pathogens, the currently used antibiotics, remains insufficient, and the development of potent antibacterial(s) is merely slow. Thus, the development of active antibacterials is the call of the day. The sulfonamides class of antibacterials was the most successful synthesized drug in the 19th century. Mechanically, sulfonamides were targeting bacterial folic acid biosynthesis and today, those are obsolete or clinically inactive. Nevertheless, the magic sulfonamide pharmacophore has been used continuously in several mainstream antibacterial, antidiabetic, antiviral drugs. Concomitantly, thousands of phytochemicals with antimicrobial potencies have been recorded and were commanded as alternate antibacterials toward control of MDR pathogens. However, none/very few isolated phytochemicals have gone up to the pure‐drug stage due to the lack of the desired drug‐likeness values and the required pharmacokinetic properties. Thus, chemical modification of parent drug remains as the versatile approach in antibacterial drug development. Improvement of clinically inactive sulfa drugs with suitable phytochemicals to develop active, low‐toxic drug molecules followed by medicinal chemistry could be prudent. This review highlights such “sulfonamide‐phytochemical” hybrid drug development research works for utilizing inactive sulfonamides and phytochemicals; the ingenious cost‐effective and resource‐saving hybrid drug concept could be a new trend in current antibacterial drug discovery to reactive the obsolete antibacterials.
Non‐severe aortic regurgitation increases short‐term mortality in acute heart failure with preserved ejection fraction
Authors: Abdurashidova Tamila , Monney Pierre , Tzimas Georgios , Soborun Nisha , Regamey Julien , Daux Aurelien , Barras Nicolas , Kirsch Matthias , Müller Martin , Hullin Roger 
Published: October 2020

AbstractAimsMild or moderate aortic regurgitation (AR) has only little effect on cardiovascular outcome in people with normal left ventricular ejection fraction (EF); therefore, it is not perceived as a major clinical problem. This study investigates whether mild or moderate AR is associated with increased short‐term mortality in patients hospitalized for treatment of acute heart failure (AHF) and whether mild or moderate AR impacts differently on short‐term mortality in AHF patients with reduced EF (AHFrEF), mid‐range EF (AHFmrEF), or preserved EF (AHFpEF).Methods and resultsThis mono‐centric study included 505 consecutive adult patients hospitalized for de novo or worsening chronic HF not related to acute ischaemia or severe valvular pathology in the echocardiogram at index hospitalization. Cox regression analysis studied the impact of AR on all‐cause mortality (ACM) over the 150 days' study period. Mild or moderate AR was associated with increased ACM (HR 1.75 [95% CI: 1.1–2.7]; P = 0.009). The prevalence of mild or moderate AR in the study population was 42% and not significantly different between AHFpEF (n = 227), AHFmrEF (n = 86), and AHFrEF (n = 192) study participants (37.9% vs. 50.0% vs. 42.7%; P = 0.144). In AHFpEF patients, the age‐adjusted hazard for ACM was increased in patients with AR compared with patients without AR (HR 2.17 [95% CI: 1.1–4.2]; P = 0.002). The age‐adjusted hazard for ACM was increased by a trend in AHFmrEF with AR (HR 7.11, [95% CI: 0.9–57.8]; P = 0.067) and not different between the AHFrEF groups (HR 0.95 [95% CI: 0.5–1.8]; P = 0.875).ConclusionsMild or moderate AR increased ACM only in AHFpEF patients, highlighting a distinct clinical relevance.
Prediction of chronic heart failure and chronic obstructive pulmonary disease in a general population: the Tromsø study
Authors: Melbye Hasse , Stylidis Michael , Solis Juan Carlos Aviles , Averina Maria , Schirmer Henrik 
Published: October 2020

AbstractAimsHeart failure (HF) and chronic obstructive pulmonary disease (COPD) are main causes of dyspnoea, and echocardiography and spirometry are essential investigations for these diagnoses. Our aim was to determine the prevalence of HF and COPD in a general population, also how the diseases may be identified, and to what extent their clinical characteristics differ.Methods and resultsIn the seventh survey of Tromsø study (2015–16), subjects aged 40 years or more were examined with echocardiography, spirometry, lung sound recordings, questionnaires, including the modified Medical Research Council (mMRC) questionnaire on dyspnoea, and N‐terminal pro‐brain natriuretic peptide analysis. A diagnosis of HF (HF with reduced ejection fraction, HF with mid‐range ejection fraction, or HF with preserved ejection fraction) or COPD was established according to current guidelines. Predictors of HF and COPD were evaluated by logistic regression and receiver operating characteristic curve analysis. A total of 7110 participants could be evaluated for COPD, 1624 for HF, and 1538 for both diseases. Age‐standardized prevalence of HF was 6.8% for women and 6.1% for men; the respective figures for COPD were 5.2% and 5.1%. Among the 1538 evaluated for both diseases, 139 subjects fulfilled the HF criteria, but only 17.1% reported to have the disease. Of those fulfilling the COPD criteria, 31.6% reported to have the disease. Shortness of breath at exertion was a frequent finding in HF; 59% of those with mMRC ≥2 had HF, while such shortness of breath was found in 24% among those with COPD. Reporting mMRC ≥2 had an odds ratio for HF of 19.5 (95% confidence interval 11.3–33.7), whereas the odds ratio for COPD was 6.3 (95% confidence interval 3.5–11.6). Current smoking was the strongest predictor of COPD but did not predict HF. Basal inspiratory crackles were significant predictors of HF in multivariable analysis. Among the subtypes of HF, an age <70 years was most frequently found in HF with reduced ejection fraction, in 51.7%. Clinical scores based on the predictive value in multivariable analysis of history, symptoms, and signs predicted HF and COPD with areas under the curve of 0.833 and 0.829, respectively.ConclusionsStudy participants with HF and COPD were in most cases not aware of their condition. In general practice, when an elderly patient present with shortness of breath, both diseases should be considered. Previous cardiovascular disease points at HF, while a history of smoking points at COPD. The threshold should be low for ordering echocardiography or spirometry for verifying the suspected cause of dyspnoea.
Inertial microfluidics: Recent advances
Authors: Huang Di , Man Jiaxiang , Jiang Di , Zhao Jiyun , Xiang Nan 
Published: October 2020

AbstractInertial microfluidics has attracted significant attentions in last decade due to its superior advantages of high throughput, label‐ and external field‐free operation, simplicity, and low cost. A wide variety of channel geometry designs were demonstrated for focusing, concentrating, isolating, or separating of various bioparticles such as blood components, circulating tumor cells, bacteria, and microalgae. In this review, we first briefly introduce the physics of inertial migration and Dean flow for allowing the readers with diverse backgrounds to have a better understanding of the fundamental mechanisms of inertial microfluidics. Then, we present a comprehensive review of the recent advances and applications of inertial microfluidic devices according to different channel geometries ranging from straight channels, curved channels to contraction‐expansion‐array channels. Finally, the challenges and future perspective of inertial microfluidics are discussed. Owing to its superior benefit for particle manipulation, the inertial microfluidics will play a more important role in biology and medicine applications.
Per- and Polyfluoroalkyl Substances (PFAS) in Surface Water Near US Air Force Bases: Prioritizing Individual Chemicals and Mixtures for Toxicity Testing and Risk Assessment
Authors: East Andrew , Anderson Richard H. , Salice Christopher J. 
Published: October 2020

Abstract
Per- and polyfluoroalkyl substances (PFAS) are a large class of persistent chemicals used for decades in industrial and commercial applications. A key challenge with regard to estimating potential risk to ecological (and human) receptors associated with PFAS exposure lies in the fact that there are many different PFAS compounds and several to many can co-occur in any given environmental sample. We applied a data science approach to characterize and prioritize PFAS and PFAS mixtures from a large dataset of PFAS measurements in surface waters associated with US Air Force Installations with a history of the use of aqueous film-forming foams (AFFFs). Several iterations of stakeholder feedback culminated in a few main points that advanced our understanding of a complex dataset and the larger ecotoxicological problem. First, perfluorooctane sulfonate (PFOS) was often a dominant PFAS in a given surface water sample, frequently followed by perfluorohexane sulfonate (PFHxS). Second, a 4-chemical mixture generally accounted for &gt;80% of the sum of all routinely reported PFAS in a sample, and the most representative 4-chemical mixture was composed of PFOS, PFHxS, perfluorohexanoic acid (PFHxA), and perfluorooctanoic acid (PFOA). We suggest that these results demonstrate the utility of formalized data science analysis and assessment frameworks to address complex ecotoxicological problems. Specifically, our example dataset results can be used to provide perspective on toxicity testing, ecological risk assessments, and field studies of PFAS in and around AFFF-impacted sites. Environ Toxicol Chem 2021;40:871–882. © 2020 SETAC
Abstract
A data science approach was used to combine information of PFAS in surface waters to identify and prioritize individual PFAS and PFAS mixtures. The figures convey the conceptual approach, examples of iterative analysis products and a final result. A key finding was the that a four chemical mixture accounted for a considerable proportion of the total PFAS and that PFOS and PFHxS occurred very commonly. For abbreviations, see Figure 3 legend.