bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of roasting treatments on total phenol, antioxidant activity, fatty acid compositions, and phenolic compounds of teff grains
Authors: Ahmed Isam A. Mohamed , Uslu Nurhan , Al Juhaimi Fahad , Özcan Mehmet Musa , Osman Magdi A. , Alqah Hesham A. S. , Babiker Elfadıl E. , Ghafoor Kashif 
Published: April 2021

AbstractBackground and objectivesTeff grains are subjected to several treatments, such as cooking and baking, and studies on the impact of thermal treatments such as roasting on the bioactive properties, phenolic compounds, fatty acids, and minerals of teff grains are scarce. The objective of this study was to evaluate the effect of microwave and oven roasting processes on total phenol, antioxidant activity, fatty acid compositions, and phenolic compounds of teff grains.FindingsRoasting treatments greatly influenced the biochemical content and bioactive properties of teff grains. Roasting increased oil, carotenoids, total flavonoids, and antioxidant activity of teff grains with the highest values being observed in microwave‐roasted grains, except total flavonoids of soluble fraction which was highest in oven‐roasted grains. It also increased total phenolic of soluble fraction and most phenolic compounds in both soluble and bound fractions with the highest values being found in conventional oven‐roasted grains, except gallic acid, trans‐cinnamic acid, naringenin, and isorhamnetin which were high in control samples. In addition, oven roasting increased palmitic acid, linoleic acid, nickel, and boron, whereas microwave roasting increased the content of stearic acid, calcium, magnesium, sodium, iron, copper, zinc, and lead of teff grains compared to controls.ConclusionsThe findings of this study indicate that teff grains are suitable sources of nutrients and bioactive compounds that could be enhanced by roasting.Significance and noveltyThe teff grains have high nutritional value, antioxidants, fatty acids, and phenolic compounds which are improved by roasting treatment and hence probable potential application in functional foods. Studying the effects of processing treatments such as roasting of teff grain will help in promoting the worldwide utilization of this important gluten‐free cereal.
A Multi‐Parametric Catalyst Screening for CO2 Hydrogenation to Ethanol
Authors: Goryachev Andrey , Pustovarenko Alexey , Shterk Genrikh , Alhajri Nawal S. , Jamal Aqil , Albuali Mohammed , van Koppen Luke , Khan Il Son , Russkikh Artem , Ramirez Adrian , Shoinkhorova Tuiana , Hensen Emiel J. M. , Gascon Jorge 
Published: April 2021

AbstractThe direct hydrogenation of CO2 to higher alcohols has the potential to turn the main contributor of global warming into a valuable feedstock. However, for this technology to become attractive, more efficient and, especially, selective catalysts are required. Here we present a high throughput study on the influence of different promoters on the CO2 hydrogenation performance of Rh−SiO2 catalysts. Fe and K promoters were found to improve ethanol selectivity at the expense of undesired CH4. The best‐performing catalyst, with a composition 2 wt.% K, 20 wt.% Fe, and 5 wt.% Rh, displays an EtOH selectivity of 16 % at CO2 conversion level of 18.4 % and CH4 selectivity of 46 %. The combination of different characterization techniques and catalyst screening allowed us to unravel the role of each catalyst component in this complex reaction mechanism.
Metal‐Assisted Efficient Nanotubular Electrocatalyst of MoS2 for Hydrogen Production
Authors: Anh Ho Thi , Kim Eunsoo , Yang Hyunwoo , Joe Jemee , Hyeok Park Jong , Shin Hyunjung 
Published: April 2021

AbstractInspired by the catalytic activity along the edge sites of layered‐structured MoS2 for the hydrogen evolution reaction (HER), maximizing the specific active edge sites per unit geometric area via material architectural design is the most common strategy for enhancing HER performance. Here, we report a convenient growth approach using atomic layer deposition (ALD) to obtain novel nanostructures of MoS2 nanotube arrays with a high number of exposed active edge sites. MoS2 NTs were spontaneously immobilized in an ordered arrangement of anodic aluminum oxide (AAO) template with a well‐defined size and shape. Ordered MoS2 NTs array were fabricated with highly conductive, large electrochemical active area as an efficient HER catalyst. Strikingly, by engineering the contact metal serving as the current collector, the contact properties were revealed to be important factors for the electrocatalytic performance of the metal‐assisted MoS2 electrodes. Our material system shows a significantly low overpotential of 260 mV at 10 mA/cm2 and a Tafel slope of 55 mV/dec, while it remains stable during long‐term operation in strong acidic media.
Probing the Catalytically Active Species in POM‐Catalysed DNA‐Model Hydrolysis**
Authors: Martins Frederico F. , Sánchez‐González Ángel , Lanuza Jose , Miras Haralampos N. , Lopez Xabier , Bandeira Nuno A. , Gil Adrià 
Published: April 2021

AbstractPhosphoester hydrolysis is an important chemical step in DNA repair. One archetypal molecular model of phosphoesters is para‐nitrophenylphosphate (pNPP). It has been shown previously that the presence of molecular metal oxide [Mo7O24]6− may catalyse the hydrolysis of pNPP through the partial decomposition of polyoxomolybdate framework resulting in a [(PO4)2Mo5O15]6− product. Real‐time monitoring of the catalytic system using electrospray ionisation mass spectrometry (ESI‐MS) provided a glance into the species present in the reaction mixture and identification of potential catalytic candidates. Following up on the obtained spectrometric data, Density Functional Theory (DFT) calculations were carried out to characterise the hypothetical intermediate [Mo5O15(pNPP)2(H2O)6]6− that would be required to form under the hypothesised transformation. Surprisingly, our results point to the dimeric [Mo2O8]4− anion resulting from the decomposition of [Mo7O24]6− as the active catalytic species involved in the hydrolysis of pNPP rather than the originally assumed {Mo5O15} species. A similar study was carried out involving the same species but substituting Mo by W. The mechanism involving W species showed a higher barrier and less stable products in agreement with the non‐catalytic effect found in experimental results.
CoS2/N‐Doped Hollow Spheres as an Anode Material for High‐Performance Sodium‐Ion Batteries
Authors: Liu Jianyu , Wu Jixian , Fan Siwei , Li Guangda 
Published: April 2021

AbstractIn this work, we first synthesized polyacrylic acid (PAA) spheres and then used PAA as a template to load Co(OH)2 particles onto its surface. The product of CoS2 nanoparticles dispersed in N‐doped hollow spheres (N‐HCS) was prepared through sulfurization treatment (CoS2/S@N‐HCS). During the sulfuration process, sulfur penetrates into the PAA, embedding into the graphite layer along with the carbonization process. It was found that during the charging and discharging process, the sulfur in the carbon layer will gradually dissolve out, thereby forming new ion diffusion channels in the carbon spheres and exposing more CoS2 active sites. The CoS2/S@N‐HCS composite exhibits a specific capacity of 729.6 mAh g−1 after 500 cycles at a current density of 1 A g−1. The sodium‐storage mechanism and reaction kinetics of the materials were further measured by in‐situ electrochemical impedance spectroscopy, ex‐situ X‐ray diffraction, capacitance performance evaluation, and galvanostatic intermittent titration technique. The excellent cycling performance and rate capability demonstrated that the CoS2/S@N‐HCS is a potential and prospective anode material for sodium‐ion batteries.
Oxochloroselenate(IV) with Incorporated {Cl2}: The Case of Strong Cl⋅⋅⋅Cl Halogen Bonding
Authors: Usoltsev Andrey N. , Korobeynikov Nikita A. , Kolesov Boris A. , Novikov Alexander S. , Abramov Pavel A. , Sokolov Maxim N. , Adonin Sergey A. 
Published: April 2021

AbstractReaction of SeO2, tetramethylammonium (TMA) chloride, aqueous HCl and Cl2 yields oxochloroselenate with incorporated Cl2 units, TMA3{[Se2O2Cl7](Cl2)}. The main feature of this compound is the strong (up to 3.5 kcal mol−1, according to DFT calculations) Cl⋅⋅⋅Cl bonding, which is also detected by Raman spectroscopy.
Relay‐Heck Cross‐Coupling Between Alkenyl Halides and Unsaturated Alcohols in the Synthesis of Open‐Chain Analogues of Musk Odorant Vulcanolide
Authors: Lenormand Anthony , Reyes Méndez Lucía , Coulomb Julien 
Published: April 2021

AbstractUnactivated alkenyl iodides and bromides underwent an unprecedented palladium‐catalyzed relay‐Heck cross‐coupling with a whole range of alkenols of different chain lengths linking the alkene and the alcohol, affording unsaturated aldehydes and ketones in moderate to good yields. In contrast, alkenyl triflates were not suitable partners for this reaction. This method allowed the preparation of open‐chain analogues of the musk odorant Vulcanolide, several of which retained key olfactory properties of the parent molecule.
Coordination‐Driven Selective Formation of D2 Symmetric Octanuclear Organometallic Cages
Authors: Zhang Long , Lin Yue‐Jian , Li Zhen‐Hua , Fraser Stoddart J. , Jin Guo‐Xin 
Published: April 2021

AbstractThe coordination‐driven self‐assembly of organometallic half‐sandwich iridium(III)‐ and rhodium(III)‐based building blocks with asymmetric ambidentate pyridyl‐carboxylate ligands is described. Despite the potential for obtaining a statistical mixture of multiple products, D2 symmetric octanuclear cages were formed selectively by taking advantage of the electronic effects emanating from the two types of chelating sites – (O,O’) and (N,N’) – on the tetranuclear building blocks. The metal sources and the lengths of bridging ligands influence the selectivity of the self‐assembly. Experimental observations, supported by computational studies, suggest that the D2 symmetric cages are the thermodynamically favored products. Overall, the results underline the importance of electronic effects on the selectivity of coordination‐driven self‐assembly, and demonstrate that asymmetric ambidentate ligands can be used to control the design of discrete supramolecular coordination complexes.
CFD‐DEM analysis of the spouted fluidized bed with non‐spherical particles
Authors: Esgandari Behrad , Golshan Shahab , Zarghami Reza , Sotudeh‐Gharebagh Rahmat , Chaouki Jamal 
Published: April 2021

AbstractHydrodynamics of spouted fluidized beds of spherical and elongated sphero‐cylindrical particles with an aspect ratio (AR) of 4 were studied by the CFD‐DEM technique. The multi‐sphere method was adopted to present the sphero‐cylindrical particles. Simulations were validated with the experimental data for both particle types. Bubble equivalent diameter, bubble shape factor, and leakage fraction were obtained in the simulations. Time‐averaged particle velocity and porosity profiles, solids circulation rate, particle exchange distribution at the spout‐annulus interface, were investigated in the beds filled with spherical and sphero‐cylindrical particles at gas mass flow rates of 0.005, 0.007, and 0.009 kg/s. The equivalent bubble diameter was found to be lower for spherical particles compared to sphero‐cylindrical particles. The leakage fraction of the bubble was lower for sphero‐cylindrical particles. Solid circulation rate and spout diameter were larger for the bed of spherical particles. A higher probability of particles transition into the spout was observed for spherical particles. Investigating the orientation showed that sphero‐cylindrical particles tend to orient almost vertically against the gas flow in the spout region, which lowers the exerted drag force, whereas the particles align nearly horizontally in the annulus region. The results revealed that the CFD‐DEM approach is a promising method for investigating the fluid and both spherical and non‐spherical particle behaviours in spouted fluidized beds.
Chemical Reactions Trigger Peptide Self‐Assembly in vivo for Tumor Therapy
Authors: Zeng Xiang‐Zhong , An Hong‐Wei , Wang Hao 
Published: April 2021

AbstractSelf‐assembly peptide materials have promoted the development of science research including life science, optics, medicine, and catalysis over the past two decades. Especially in tumor treatment, peptide self‐assembly strategies have exhibited promising potential by their high degree of biocompatibility, construction modularization, and diversity in structure controllability. Driven by physical and chemical triggers, peptides can self‐assemble in vivo to form fibers, spheres, hydrogels, or ribbons to achieve predeterminate biological functions. Peptide self‐assembly triggered by chemical reactions provides superior specificity and intelligent responsiveness to produce assembly‐induced biological effects in target regions. Herein, from the perspective of triggers of peptide assembly, we briefly review the applications of in vivo peptide self‐assembly strategies for tumor treatment, including tumor‐pathology‐factor‐induced chemical reactions and bio‐orthogonal reactions
Cause of death during prostate cancer survivorship: A contemporary, US population–based analysis
Authors: Weiner Adam B. , Li Eric V. , Desai Anuj S. , Press David J. , Schaeffer Edward M. 
Published: April 2021

BACKGROUNDMore than 3.6 million men in the United States harbor a diagnosis of prostate cancer (PCa). The authors sought to provide in‐depth analyses of the causes of death for contemporary survivors.METHODSThe authors performed a population‐based cohort study in the United States (2000‐2016) to assess causes of death for men diagnosed with PCa stratified by demographics and tumor stage. Using general population data, they calculated standardized mortality ratios (SMRs) as observed‐to‐expected death ratios.RESULTSIn total, 752,092 men with PCa, including 200,302 who died (27%), were assessed. A total of 29,048 men with local/regional disease (17%) died of PCa, whereas more than 4‐fold men died of other causes (n = 143,719 [83%]). SMRs for death from noncancer causes (0.77; 95% confidence interval [CI], 0.77‐0.78) suggested that these men were less likely than the general population to die of most other causes. The most common noncancer cause of death was cardiac‐related (23%; SMR, 0.76; 95% CI, 0.75‐0.77). Among men with distant PCa, 90% of deaths occurred within 5 years of diagnosis. Although deaths due to PCa composed the majority of deaths (74%), SMRs suggested that men with distant PCa were at heightened risk for death from most other noncancer causes (1.50; 95% CI, 1.46‐1.54) and, in particular, for cardiac‐related death (SMR, 1.48; 95% CI, 1.41‐1.54) and suicide (SMR, 2.32; 95% CI, 1.78‐2.96). Further analyses demonstrated that causes of death varied by patient demographics.CONCLUSIONSCauses of death during PCa survivorship vary by patient and tumor characteristics. These data provide valuable information regarding health care prioritization during PCa survivorship.LAY SUMMARY

Men with early‐stage prostate cancer are 4‐fold more likely to die of other causes, whereas those with advanced prostate cancer are at increased risk for several causes not related to prostate cancer in comparison with the general population.

These findings can help guide physicians taking care of men with a diagnosis of prostate cancer.
Impact of fertility concerns on endocrine therapy decisions in young breast cancer survivors
Authors: Sella Tal , Poorvu Philip D. , Ruddy Kathryn J. , Gelber Shari I. , Tamimi Rulla M. , Peppercorn Jeffrey M. , Schapira Lidia , Borges Virginia F. , Come Steven E. , Partridge Ann H. , Rosenberg Shoshana M. 
Published: April 2021

BackgroundThe diagnosis and treatment of breast cancer can have profound effects on a young woman's family planning and fertility, particularly among women with hormone receptor–positive breast cancer.MethodsThe Young Women's Breast Cancer Study was a multicenter cohort of women aged 40 years or younger and newly diagnosed with breast cancer from 2006 to 2016. Surveys included assessments of fertility concerns, endocrine therapy (ET) preferences, and use. Characteristics were compared between women who reported that fertility concerns affected ET decisions and those who did not. Logistic regression was used to identify factors associated with having an ET decision affected by fertility concerns.ResultsOf 643 eligible women with hormone receptor–positive, stage I to III breast cancer, one‐third (213 of 643) indicated that fertility concerns affected ET decisions. In a multivariable analysis, only parity at diagnosis was significantly associated with fertility concerns affecting ET decisions (odds ratio for nulliparous vs ≥2 children, 6.96; 95% confidence interval, 4.09‐11.83; odds ratio for 1 vs ≥2 children, 5.30; 95% confidence interval, 3.03‐9.87). Noninitiation/nonpersistence was higher among women with fertility concerns versus those without fertility concerns (40% vs 20%; P < .0001). Among women with fertility‐related ET concerns, 7% (15 of 213) did not initiate ET, and 33% (70 of 213) were nonpersistent over 5 years of follow‐up. Of these women, 66% (56 of 85) reported 1 or more pregnancies or pregnancy attempts; 27% (15 of 56) had resumed ET at the last available follow‐up through 5 years.ConclusionsConcern about fertility is a contributor to adjuvant ET decisions among a substantial proportion of young breast cancer survivors. Ensuring family planning is addressed in the setting of ET recommendations should be a priority throughout the cancer care continuum.
Evaluation of the diagnostic accuracy of bronchial brushing cytology in lung cancer: A meta‐analysis
Authors: Chen Cheng‐Chieh , Bai Chyi‐Huey , Lee Kang‐Yun , Chou Yu‐Ting , Pan Shien‐Tung , Wang Yuan‐Hung 
Published: April 2021

BackgroundFlexible bronchoscopy is commonly used to examine patients suspected to have lung cancer. Bronchial brushing is one of the cytological technologies for lung specimens obtained through a bronchoscope. However, the accuracy of bronchial brushing cytology (BBC) for lung cancer diagnosis is still inconclusive. The aim of this study was to evaluate the diagnostic accuracy of BBC.MethodsA literature search was conducted with PubMed, Embase, the Cochrane Library, Web of Science, Biomed Central, Clinical Key, and ClinicalTrials.gov. Studies that assessed the efficacy of BBC in detecting lung cancer were included. Articles that estimated the accuracy on a per‐patient basis were included. Review articles, case reports, and research that provided insufficient data to construct a 2 × 2 table were excluded. Both prospective trials and retrospective studies were included. English language studies were reviewed. Data synthesis was performed with a random‐effects model.ResultsSeventeen studies with 2538 patients were included in the study. The meta‐analysis for BBC generated a pooled sensitivity of 0.67 (95% confidence interval [CI], 0.65‐0.70) and a pooled specificity of 0.91 (95% CI, 0.89‐0.93). The pooled diagnostic odds ratio for BBC was 24.55 (95% CI, 12.39‐48.66). The subgroup analysis for studies using liquid‐based cytology (LBC) generated a pooled sensitivity of 0.68 and a pooled specificity of 0.92. The pooled diagnostic odds ratio of studies using LBC was 114.18.ConclusionsThese findings indicate that BBC is a discriminative diagnostic approach with moderate sensitivity and high specificity for diagnosing peripheral pulmonary lesions. BBC using LBC has higher diagnostic performance.
Pharmacokinetics of Ginsenoside Compound K From a Compound K Fermentation Product, CK‐30, and From Red Ginseng Extract in Healthy Korean Subjects
Authors: Ban Mu Seong , Kim Yun , Lee Sunyoung , Han ByongYeul , Yu Kyung‐Sang , Jang In‐Jin , Chung Hong Keun , Lee SeungHwan 
Published: April 2021

AbstractNatural protopanaxadiol ginsenosides exhibit low absorption in the human intestine. However, ginsenoside compound K (CK) with 1 conjugated glucose molecule exhibits favorable absorption. The purpose of this study was to compare the pharmacokinetics of ginsenoside CK from a CK fermentation product, CK‐30, and from a red ginseng extract. A randomized, open‐label, 2‐treatment, 2×2 crossover study was conducted. The volunteers were randomly divided into 2 groups. One group received CK‐30, and the other group received 2.94 g of a red ginseng extract. After a 7‐day washout period, the subjects received an alternative treatment for a single dose. The pharmacokinetic parameters, including the maximum plasma concentration (Cmax) and area under the plasma concentration–time curve from time 0 to time of last measurable concentration, were calculated. The median time to reach Cmax of ginsenoside CK after administration of CK‐30 was 3.0 hours, whereas the corresponding value of the red ginseng extract was 10.0 hours. Compared with the red ginseng extract, CK‐30 resulted in a higher systemic exposure to ginsenoside CK, with a 118.3‐fold increase in Cmax and a 135.1‐fold increase in area under the plasma concentration–time curve from time 0 to time of last measurable concentration. The systemic exposure to ginsenoside CK was significantly higher after administration of CK‐30 than red ginseng extract.
Multi‐angle head pose classification with masks based on color texture analysis and stack generalization
Authors: Li Shuang , Dong Xiaoli , Shi Yuan , Lu Baoli , Sun Linjun , Li Wenfa 
Published: April 2021

SummaryHead pose classification is an important part of the preprocessing process of face recognition, which can independently solve application problems related to multi‐angle. But, due to the impact of the COVID‐19 coronavirus pandemic, more and more people wear masks to protect themselves, which covering most areas of the face. This greatly affects the performance of head pose classification. Therefore, this article proposes a method to classify the head pose with wearing a mask. This method focuses on the information that is helpful for head pose classification. First, the H‐channel image of the HSV color space is extracted through the conversion of the color space. Then use the line portrait to extract the contour lines of the face, and train the convolutional neural networks to extract features in combination with the grayscale image. Finally, stacked generalization technology is used to fuse the output of the three classifiers to obtain the final classification result. The results on the MAFA dataset show that compared with the current advanced algorithm, the accuracy of our method is 94.14% on the front, 86.58% on the more side, and 90.93% on the side, which has better performance.
The associations of obsessive–compulsive symptom dimensions and general severity with suicidal ideation in patients with obsessive–compulsive disorder: The role of specific stress responses to COVID‐19
Authors: Khosravani Vahid , Samimi Ardestani Seyed Mehdi , Sharifi Bastan Farangis , McKay Dean , Asmundson Gordon J. G. 
Published: April 2021

AbstractSuicidal ideation is prevalent in patients with obsessive–compulsive disorder (OCD); but, during COVID‐19, it may be increased. The present study aimed to examine the effects of obsessive–compulsive (OC) symptom dimensions and OCD severity on suicidal ideation by considering the role of stress responses in reaction to COVID‐19 in a clinical sample of patients with OCD. In a cross‐sectional study, 304 patients with OCD completed measures of OC symptom dimensions, OCD severity, general mental health (depression and anxiety), and COVID‐19‐related stress. Results showed that after controlling for depression, anxiety, comorbidity, and lifetime suicide attempts, the OC symptom dimensions of responsibility for harm and unacceptable obsessional thoughts as well as general severity had indirect effects on suicidal ideation through the specific stress responses to COVID‐19, including traumatic stress and compulsive checking. The study shows that OCD patients with specific OC symptom dimensions and severe OCD are more likely to have suicidal ideation during the pandemic. Further, the specific stress responses to COVID‐19 may be an underlying mechanism. Clinicians should carefully assess suicidal ideation in patients with OCD who experience responsibility for harm and unacceptable thoughts, particularly during the pandemic.