bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rhombicuboctahedral Ag100: Four‐Layered Octahedral Silver Nanocluster Adopting the Russian Nesting Doll Model
Authors: Ma Xiangyu , Bai Yuyuan , Song Yongbo , Li Qinzhen , Lv Ying , Zhang Hui , Yu Haizhu , Zhu Manzhou 
Published: June 2020

AbstractPrecise atomic structure of metal nanoclusters (NCs) is fundamental for elucidating the structure–property relationships and the inherent size‐evolution principles. Reported here is the largest known FCC‐based (FCC=face centered cubic) silver nanocluster, [Ag100(SC6H33,4F2)48(PPh3)8]−: the first all‐octahedral symmetric nesting Ag nanocluster with a four‐layered Ag6@Ag38@Ag48S24@Ag8S24P8 structure, consistent symmetry elements, and a unique rhombicuboctahedral morphology distinct from theoretical predictions and previously reported FCC‐based Ag clusters. DFT studies revealed extensive interlayer interactions and degenerate frontier orbitals. The FCC‐based Russian nesting doll model constitutes a new platform for the study of the size‐evolution principles of Ag NCs.
Ultrafast Exciton Self‐Trapping and Delocalization in Cycloparaphenylenes: The Role of Excited‐State Symmetry in Electron‐Vibrational Coupling
Authors: Kim Juno , Kishi Ryohei , Kayahara Eiichi , Kim Woojae , Yamago Shigeru , Nakano Masayoshi , Kim Dongho 
Published: June 2020

AbstractUpon photon absorption, π‐conjugated organics are apt to undergo ultrafast structural reorganization via electron‐vibrational coupling during non‐adiabatic transitions. Ultrafast nuclear motions modulate local planarity and quinoid/benzenoid characters within conjugated backbones, which control primary events in the excited states, such as localization, energy transfer, and so on. Femtosecond broadband fluorescence upconversion measurements were conducted to investigate exciton self‐trapping and delocalization in cycloparaphenylenes as ultrafast structural reorganizations are achieved via excited‐state symmetry‐dependent electron‐vibrational coupling. By accessing two high‐lying excited states, one‐photon and two‐photon allowed states, a clear discrepancy in the initial time‐resolved fluorescence spectra and the temporal dynamics/spectral evolution of fluorescence spectra were monitored. Combined with quantum chemical calculations, a novel insight into the effect of the excited‐state symmetry on ultrafast structural reorganization and exciton self‐trapping in the emerging class of π‐conjugated materials is provided.
Quantifying the link between heavy precipitation and Northern Hemisphere blocking—A Lagrangian analysis
Authors: Lenggenhager Sina , Martius Olivia 
Published: June 2020

AbstractAtmospheric blocks strongly influence surface weather, including extremes such as heat waves and cold spells. Recently, diabatic heating and associated upper‐tropospheric potential vorticity (PV) modification have been identified as important modulators of atmospheric blocking dynamics. Also, robust links between atmospheric blocks and proximate heavy precipitation events have been established. This leads to the question of the extent to which diabatic heating associated with heavy precipitation events influences Northern Hemisphere blocking. This study uses 5 years of 3‐day back trajectories started from objectively identified blocks in the ERA‐Interim dataset to investigate this relationship. A substantial fraction of air parcels in blocks pass through heavy precipitation areas. The exact fraction depends on the choice of heavy precipitation threshold. Roughly 19% of all the trajectories in a block pass a heavy precipitation area (>95th percentile) area while being saturated. Of the air parcels in a block that are heated at least 5 K, 60% pass a heavy precipitation area while saturated. This fraction varies with the season and geographical area. The overall fraction is lowest in summer and highest in winter, higher over oceans than over land, and higher over the Pacific than over the Atlantic. In summer, heating is relevant over the continents and heating over North America influences blocks over the eastern Atlantic. For summer blocks in the North Atlantic and over Scandinavia, heating happens partly over the European continent.
Pharmacokinetics and bioavailability of ipatasertib in dog plasma using LC/MS/MS
Authors: Liu Ying , Ma Chunzheng , Jiao Weijie , Yang Yanhua , Zhang Huifang , Du Lei , Ma Ming , Sun Pin , Li Xiaokun , Chen Jianshe 
Published: June 2020

AbstractA rapid, sensitive, and reliable liquid chromatography‐tandem mass spectrometric method was developed to quantify ipatasertib in dog plasma. The dog plasma sample was deproteinated by using acetonitrile with ulixertinib as an internal standard followed by separation on a Spursil C18‐EP column with a gradient mobile phase comprising 2 mM ammonium acetate containing 0.1% formic acid and acetonitrile. Positive ion electrospray was used, and multiple reaction monitoring transitions were m/z 458.2 > 387.2 for ipatasertib and m/z 433.1 > 262.1 for the internal standard. The developed method was validated with a linear range of 0.3–1500 ng/mL, and with correlation coefficient greater than 0.9989. The lower limit of quantification was 0.3 ng/mL. The intra‐ and inter‐day precision ranged from 3.58 to 14.32%, whereas the intra‐ and inter‐day accuracy was in the range of −2.50–13.25%. No carry‐over and matrix effects were observed under the current conditions. The extraction recovery was demonstrated to be greater than 85.43%. Ipatasertib was stable during the storage, processing, and determination. The validated assay was further successfully applied to a pharmacokinetic study of ipatasertib in dogs after oral and intravenous administrations. The bioavailability of ipatasertib was determined to be 19.3%.
Inside‐tube solid‐phase microextraction as an interlink between solid‐phase microextraction and needle device forn‐hexane evaluation in air and urine headspace
Authors: Ghafari Javad , Vahabi Masoomeh , Dehghan Somayeh Farhang , Zendehdel Rezvan 
Published: June 2020

AbstractMonitoring the trace amount of chemicals in various samples remains a challenge. This study was conducted to develop a new solid‐phase microextraction (SPME) system (inside‐tube SPME) for trace analysis ofn‐hexane in air and urine matrix. The inside‐tube SPME system was prepared based on the phase separation technique. A mixture of carbon aerogel and polystyrene was loaded inside the needle using methanol as the anti‐solvent. The air matrix ofn‐hexane was prepared in a Tedlar bag, andn‐hexane vapor was sampled at a flow rate of 0.1 L/min. Urine samples spiked withn‐hexane were used to simulate the sampling method. The limit of detection using the inside‐tube SPME was 0.0003 μg/sample with 2.5 mg of adsorbent, whereas that using the packed needle was 0.004 μg/sample with 5 mg of carbon aerogel. Forn‐hexane analysis, the day‐to‐day and within‐day coefficient variation were lower than 1.37%, with recoveries over 98.41% achieved. The inside‐tube SPME is an inter‐link device between two sample preparation methods, namely, a needle trap device and an SPME system. The result of this study suggested the use of the inside‐tube SPME containing carbon aerogel (adsorbent) as a simple and fast method with low cost forn‐hexane evaluation.
Nutritional quality of gluten‐free products in Moroccan supermarkets and e‐commerce platforms
Authors: Guennouni Morad , El Khoudri Noureddine , Bourrhouat Aicha , Hilali Abderraouaf 
Published: June 2020

AbstractBackground and objectivesGluten found in wheat, barley, and rye causes celiac disease. The treatment of this disease is based on the gluten‐free diet. This diet involves the consumption of gluten‐free foods including gluten‐free products (GFPs) developed by manufacturers. The objective of this survey is to estimate the nutritional composition of the gluten‐free products by comparing them to equivalent regular products (RPs) containing gluten.FindingsWhile the fiber contents were higher in the gluten‐free products, protein and sugar contents were lower in comparison with regular products (p < .0001). The differences in total energy, total carbohydrate, saturated fat, and salt differ from one category to another. The number of gluten‐free products that have been fortified with iron and vitamins was limited. The category of “Bread and Bakery products” which is the most consumed in Morocco is characterized by a low and high protein and fiber content, respectively (p < .001; p = .015, respectively).ConclusionsThe nutritional quality of the gluten‐free products is unbalanced. A significant protein deficiency is noted.Significance and noveltyIt is important to improve the nutritional quality of the gluten‐free products by replacing gluten with hydrocolloids and protein rich enzymes. A fortification by iron and vitamins remains a necessity to overcome the deficit.
Lichen planus of the external auditory canal: Treatment options and review of literature
Authors: Lazzerini Francesco , Bruschini Luca , Berrettini Stefano , De Vito Andrea , Forli Francesca 
Published: June 2020

AbstractMedical topic therapies can relieve symptoms associated with lichen planus of external auditory canal. Further, bone‐anchored hearing devices represent an optimal solution for hearing restoration in otic lichen planus.
Laboratory Notebooks and Data Storage
Authors: Williams Michael , Bozyczko‐Coyne Donna , Dorsey Bruce , Larsen Scott , Powers Chris , Gallagher Sean 
Published: June 2020

AbstractThe laboratory notebook, whether in hardcopy or electronic (ELN) format, represents a true, chronological record of a scientist's bench work, incorporating the primary source of all materials and information related to the design, execution, and outcomes (data) for a specific experiment. The notebook content thus represents a precise, legible record of what was done, why, and by whom. It also describes the outcome of the experiment and how this is related to the initial hypothesis on which performing the experiment was based. As an archive, a laboratory notebook allows others previously unassociated with the work to understand what was done and, if necessary, independently recreate the experiments. A laboratory notebook and its associated records (e.g., computer printouts or HPLC traces) also represent the vital record of the conception date of an invention and its reduction to practice, providing a timely and necessary legal record to support and defend patent applications. © 2020 Wiley Periodicals LLC.
Ribociclib Drug‐Drug Interactions: Clinical Evaluations and Physiologically‐Based Pharmacokinetic Modeling to Guide Drug Labeling
Authors: Samant Tanay S. , Huth Felix , Umehara Kenichi , Schiller Hilmar , Dhuria Shyeilla V. , Elmeliegy Mohamed , Miller Michelle , Chakraborty Abhijit , Heimbach Tycho , He Handan , Ji Yan 
Published: June 2020

Ribociclib is approved in combination with endocrine therapy as initial endocrine‐based therapy for HR‐positive and HER2‐negative advanced breast cancer. Ribociclib is primarily metabolized by CYP3A4 and, in vitro, is an inhibitor of CYP3A and CYP1A2. Ritonavir (a strong CYP3A inhibitor) increased ribociclib 400 mg single‐dose area under the plasma concentration‐time curve (AUC) by 3.2‐fold, whereas rifampin (a strong CYP3A inducer) decreased ribociclib AUC by 89% in healthy volunteers (HVs). Multiple 400 mg ribociclib doses increased midazolam (CYP3A substrate) AUC by 3.8‐fold and caffeine (CYP1A2 substrate) AUC by 1.2‐fold vs. each agent alone. A physiologically‐based pharmacokinetic (PBPK) model was developed integrating in vitro, preclinical, and clinical data of HVs and patients with cancer. Data predictions indicated that multiple 600 mg ribociclib doses increased midazolam AUC by 5.85‐fold and ritonavir increased ribociclib 600 mg multiple dose AUC by 1.31‐fold in cancer patients. Based on pharmacokinetics, safety, and efficacy data, and PBPK modeling, dosing modifications for ribociclib recommend avoiding concurrent use of strong CYP3A inhibitors/inducers, and caution regarding using CYP3A substrates with narrow therapeutic indices.
Stroke and Bleeding Risks in Patients with Atrial Fibrillation Treated with Reduced Apixaban Dose: A Real‐Life Study
Authors: Salameh Maram , Gronich Naomi , Stein Nili , Kotler Antonio , Rennert Gad , Auriel Eitan , Saliba Walid 
Published: June 2020

The purpose of this study was to assess the association between reduced apixaban dose and two outcomes: ischemic stroke/systemic embolism (SE) and major bleeding. We performed a retrospective cohort study within the database of the largest healthcare provider in Israel. We identified all patients diagnosed with atrial fibrillation, who started apixaban treatment between 2013 and 2017. Apixaban users were classified into three dosing regimen groups based on their renal function, age, and weight: standard dose (5 mg b.i.d.), adjusted reduced dose (2.5 mg b.i.d.), and underdosing (2.5 mg b.i.d.). Patients were followed through 2018 for the occurrence of stroke/SE and major bleeding. Of the 27,765 included patients, 13,141 (47%) adequately received standard apixaban dose, 4,739 patients (17%) received adjusted reduced dose, and 9,885 patients (36%) were classified as underdosed. The CHA2DS2‐VASc score adjusted hazard ratio for ischemic stroke/SE was 1.1 (95% confidence interval (CI), 0.83–1.43) in the adjusted reduced dose group, and 1.04 (95% CI, 0.83–1.35) in the underdosing group, compared with the standard apixaban dose group. The HAS‐BLED score adjusted hazard ratio for any major bleeding was 1.66 (95% CI, 1.32–2.09) in the adjusted reduced dose group, and 1.51 (95% CI, 1.24–1.83) in the underdosing group, compared with apixaban in the standard dose group. Results were similar for major gastrointestinal bleeding and intracranial hemorrhage separately. We conclude that underdosing with apixaban is very common, and may not disproportionately elevate the risk of ischemic stroke. However, albeit halving the dose, patients treated with reduced apixaban dose (adjusted or underdosing) seem to be at higher risk for major bleeding.
Life‐history traits ofTubastraea coccinea: Reproduction, development, and larval competence
Authors: Luz Bruna L. P. , Di Domenico Maikon , Migotto Alvaro E. , Kitahara Marcelo V. 
Published: June 2020

AbstractThe sun coralTubastraea coccineaLesson, 1829 (Dendrophylliidae) is a widely distributed shallow‐water scleractinian that has extended its range to non‐native habitats in recent decades. With its rapid spread, this coral is now one of the main invasive species in Brazil. Its high invasive capability is related to opportunistic characteristics, including several reproductive strategies that have allowed it to disperse rapidly and widely. To better understand the reproductive biology ofT. coccineaand aid in developing management strategies for invaded areas, we investigated aspects of its reproductive performance and life cycle, including the effects of colony size, seawater temperature and salinity, and lunar periodicity on offspring production and larval metamorphosis competence. A total of 18,139 offspring were released in different developmental stages, mainly from the larger colonies, which also produced larvae with longer competence periods. The main reproductive peak occurred during the First Quarter and New Moon phases and was highest in water temperatures around 26°C. Together, these results help to explain the rapid expansion ofT. coccineainto non‐native habitats such as the Caribbean and southwestern Atlantic, and will inform actions of the recent Brazilian National Plan for the prevention, eradication, control, and monitoring of sun corals.
A two‐step human culture system replicates intestinal monocyte maturation cascade: Conversion of tissue‐like inflammatory monocytes into macrophages
Authors: Bsat Marwa , Chapuy Laurence , Rubio Manuel , Sarfati Marika 
Published: June 2020

AbstractMonocyte maturation program into macrophages (MΦ) is well defined in murine gut under homeostatic or inflammatory conditions. Obviously, in vivo tracking of monocytes in inflamed tissues remains difficult in humans. Furthermore, in vitro models fall short in generating the surrogates of transient extravasated tissue inflammatory monocytes. Here, we aimed to unravel environmental cues that replicated the human monocyte “waterfall” process in vitro by first, generating tissue‐like inflammatory monocytes, which were then shifted toward MΦ. Purified CD14+CD16− monocytes, cultured with granulocyte‐macrophage colony‐stimulating factor (GM‐CSF), IFN‐γ and IL23, differentiated into CD14+CD163− cells that displayed a monocyte‐like morphology. In vitro generated inflammatory CD14+CD163− (inflammatory monocyte‐like cells) cells promoted IL‐1β‐dependent memory Th17 and Th17/Th1 responses, like the CD14+CD163− mo‐like cells that accumulate in inflamed colon of Crohn's disease patients. Next, in vitro generated inflammatory monocyte‐like cells converted to functional CD163+ MΦ following exposure to TGF‐β and IL10. Gene set enrichment analysis further revealed a shared molecular signature between converted CD163+ MΦ and MΦ detected in various inflamed nonlymphoid and lymphoid diseased tissues. Our findings propose a two‐step in vitro culture that recapitulates human monocyte maturation cascade in inflamed tissue. Manipulation of this process might open therapeutic avenues for chronic inflammatory disorders.
‘Therapists in action’—Home treatment in adolescent anorexia nervosa: A stepped care approach to shorten inpatient treatment
Authors: Herpertz‐Dahlmann Beate , Borzikowsky Christoph , Altdorf Sophie , Heider Kathrin , Dempfle Astrid , Dahmen Brigitte 
Published: June 2020

AbstractObjectiveIt was the aim of this pilot study to apply a novel eating disorder (ED)‐specific home treatment (HoT) to adolescents with anorexia nervosa (AN) and to investigate its feasibility, effects and safety.MethodTwenty‐two patients consecutively admitted to the hospital and fulfilling DSM‐5 criteria for typical or atypical AN received HoT after 4–8 weeks of inpatient treatment. During the first two months of HoT, the patient and her family were visited on average three to four times per week, during the third and fourth months of HoT once or twice a week by a multi‐professional team. Body mass index, ED and general psychopathology, quality of life and treatment satisfaction were assessed in the patients at admission, start and end of HoT and the 1‐year follow‐up as well as carers' skills and burden.ResultsThe majority of patients successfully achieved target weight within HoT and maintained it successfully at the 1‐year follow‐up. ED and general psychopathology in the patients and carers' skills improved significantly associated with a high treatment satisfaction.ConclusionsHoT seems to be a promising new tool to improve outcome in adolescent AN and to reduce time of hospitalisation. Larger randomised controlled trials are needed to generalise these results.
Assessing smoke toxicity of burning combustibles by four expressions for fractional effective dose
Authors: Chow C.L. , Han S.S. , Han G.Y. , Hou G.L. , Chow W.K. 
Published: June 2020

SummaryToxicity of smoke generated in a fire is difficult to measure accurately. That is because gas sensors for measuring rapidly varying concentrations of toxic gases are not yet developed. Simple expressions are searched for quick measurement in assessing smoke toxicity practically. Four equations on calculating fractional effective dose (FED) related to toxic effluents were reported in the literature, each based on different assumptions. FED value was proposed to be calculated based on peak carbon monoxide concentration and peak carbon dioxide concentration, and transient carbon monoxide, carbon dioxide, and oxygen concentrations. The four values were compared in this article using literature data on toxic gases from different materials measured by (i) cone calorimeter; (ii) full‐scale burning tests; and (iii) tunnel full‐scale tests. Measured carbon monoxide, carbon dioxide, and oxygen concentrations by standard equipment of oxygen consumption calorimeters were used to calculate the four FED values. It is found that the values of FED based on peak carbon monoxide and carbon dioxide concentrations (denoted as FED2) are similar to the average values of FED calculated from the updated equation in the literature using the oxygen consumption calorimeters. Putting the values of FED2 in fire safety design guides is then recommended.
Assessing vitamin D related genetic variants, status, and influence factors in pregnant women in Eastern and Central China
Authors: Qiu Xiaofei , Chen Xinhao , Zuo Shangming , Ji Yuan , Wen Zheng , Wei Linna , Wu Shouxin , Diao Le , Li Bo , Zhao Jiangman , Chen Tianrui 
Published: June 2020

AbstractVitamin D deficiency has recently become a global public health problem. However, it is still unclear if gene polymorphisms in the vitamin D pathway influence vitamin D levels among pregnant women in Eastern and Central China. The objective of this study was to assess factors influencing vitamin D levels in pregnant women. A total of 326 participants in Shandong and Henan provinces in China were enrolled from August 2017 to April 2019. Serum 25(OH)D levels and single nucleotide polymorphisms (SNPs) in the vitamin D pathway were measured using the blood samples collected in the first trimester, second trimester, and third trimester. Data on demographics, lifestyle, and health behavior were collected using a questionnaire. Statistical analyses were performed using the R software. The prevalence of 25(OH)D deficiency was significantly more severe in pregnant women. The average 25(OH)D value of all enrolled pregnant women was 14.57 ± 7.21 ng/ml (deficiency). Only 15 (4.60%) participants had a 25(OH)D concentration ≥30 ng/ml (sufficient). The prevalence of four ranks of vitamin D levels from severe 25(OH)D deficiency to 25(OH)D sufficiency (<10, 10–20, 20–30, and ≥30 ng/ml) was 29.14%, 52.45%, 13.80%, and 4.60%, respectively. Variants of GC (rs1155563) and CYP24A1 (rs6013897) were significantly associated with both 25(OH)D concentrations and vitamin D deficiency among pregnant women, respectively. Our findings suggest that pregnant women in Eastern and Central China are at high risk of vitamin D deficiency. Genetic mutants in the vitamin D pathway (GC and CYP24A1) were significantly associated with 25(OH)D levels in pregnant women in Eastern and Central China.