bluuebunny/crossref_metadata_2025 huggingface dataset:
Enantiomeric separation and quantification of R/S‐amphetamine in serum using semi‐automated liquid‐liquid extraction and ultra‐high performance supercritical fluid chromatography‐tandem mass spectrometry
Authors: Havnen Hilde , Hansen Miriam , Spigset Olav , Hegstad Solfrid
Published: June 2020

The amphetamine molecule contains a chiral center and its enantiomers exhibit differences in pharmacological effects, with the S‐enantiomer mediating most of the central nervous system stimulating activity. The majority of prescribed amphetamine consists of the pure S‐enantiomer, but therapeutic formulations containing the R‐enantiomer in various proportions are also available. Illegal amphetamine remains available mainly as a racemic mixture of the R‐ and S‐enantiomers. To distinguish between legal and illegal consumption of amphetamine a method for enantiomeric separation and quantification of R/S‐amphetamine in serum was developed and validated using ultra‐high performance supercritical fluid chromatography‐tandem mass spectrometry (UHPSFC‐MS/MS). Sample preparation prior to UHPSFC‐MS/MS analysis was performed by a semi‐automated liquid–liquid extraction method. The UHPSFC‐MS/MS method used a Chiralpak AD‐3 column with a mobile phase consisting of CO2 and 0.1% ammonium hydroxide in 2‐propanol/methanol (50/50, v/v). The injection volume was 2 μL and run time was 4 minutes. MS/MS detection was performed with positive electrospray ionization and two multiple reaction monitoring transitions (m/z 136.1 > 119.0 and m/z 136.1 > 91.0). The calibration range was 12.5–1,000 nM for each analyte. The between‐assay relative standard deviations were in the range of 1.3–3.0%. Recovery was 73% and matrix effects ranged from 95 to 100% when corrected with internal standard. After development and validation, the method has been successfully implemented in our laboratory for both separation and quantification of R/S‐amphetamine and has proved to be a reliable and useful tool for distinguishing intake of R‐ and S‐amphetamine in authentic patient samples.
Evolution in novel environments: Do restored prairie populations experience strong selection?
Authors: Magnoli Susan M. , Lau Jennifer A.
Published: June 2020

When populations colonize new habitats, they are likely to experience novel environmental conditions, and as a consequence may experience strong selection. While selection and the resulting evolutionary responses may have important implications for establishment success in colonizing populations, few studies have estimated selection in such scenarios. Here we examined evidence of selection in recently established plant populations in two prairie restorations in close proximity (<15 km apart) using two approaches: (1) we tested for evidence of past selection on a suite of traits in twoChamaecrista fasciculatapopulations by comparing the restored populations to each other and their shared source population in common gardens to quantify evolutionary responses and (2) we measured selection in the field. We found evidence of past selection on flowering time, specific leaf area, and root nodule production in one of the populations, but detected contemporary selection on only one trait (plant height). Our findings demonstrate that while selection can occur in colonizing populations, resulting in significant trait differences between restored populations in fewer than six generations, evolutionary responses differ across even nearby populations sown with the same source population. Because contemporary measures of selection differed from evolutionary responses to past selection, our findings also suggest that selection likely differs over the early stages of succession that characterize young prairies.
Occurrence of Antibiotics in Influent and Effluent from 3 Major Wastewater-Treatment Plants in Finland
Authors: Kortesmäki Ewelina , Östman Johnny R. , Meierjohann Axel , Brozinski Jenny-Maria , Eklund Patrik , Kronberg Leif
Published: June 2020

Wastewater-treatment plants (WWTPs) are regarded as one of the main sources of antibiotics in the environment. In the present study, the concentrations of multiple antibiotics and their metabolites belonging to 5 antibiotic classes were determined in 3 major Finnish WWTPs. An online solid phase extraction–liquid chromatography–tandem mass spectrometry method was used for the extraction and analysis of the compounds. The method was fully validated using real and synthetic wastewaters. Seven antibiotics and 3 metabolites were found in the analyzed samples. Sulfonamides were removed most efficiently, whereas macrolides usually showed negative removal efficiency during the treatment, which means that the concentrations for individual antibiotics determined in the effluent samples were higher than in the influent samples. Sulfadiazine was found at concentrations up to 1018 ng/L, which was the highest concentration of any of the detected antibiotics in influent. In the effluent samples, the highest mean concentration was found for trimethoprim (532 ng/L). The measured mass loads of the antibiotics and metabolites to the receiving waters ranged from 2 to 157 mg/d per 1000 population equivalent. The evaluated environmental risk assessment showed that clarithromycin and erythromycin might pose a risk to the environment. The present study further underlines the importance of implementing technology for efficient removal of xenobiotics during wastewater treatment. Environ Toxicol Chem 2020;39:1774–1789. © 2020 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Relationship between the Young's Modulus and the Crystallinity of Cross‐Linked Poly(ε‐caprolactone) as an Immobilization Membrane for Cancer Radiotherapy
Authors: Dong Jie , Liu Jinchao , Li Xing , Liang Qingyou , Xu Xiangying
Published: June 2020

Cancer is a leading cause of death in the world. In cancer radiotherapy, immobilization membranes composed of cross‐linked poly(ε‐caprolactone) (PCL) are utilized for patient positioning. A higher‐dimensional stability of the membrane is urgently required to facilitate more accurate radiation dose delivery. It is extremely important to establish the relationship between the degree of crystallinity and the Young's modulus (E) because it determines the mechanical properties and can be modulated by crystallinity. When two components of the membrane with different strains are in contact, a gradient region adjacent to the interface is formed and confirmed by attenuated total reflection infrared microscopy. Atomic force microscopy (AFM) and Raman spectroscopy are used to scan the same area in the gradient region (14 µm × 14 µm) to characterize E and crystallinity (XRaman), respectively. This co‐localized method ensures the accuracy of the relationship. Finally, 1764 AFM measurement data are processed and 49 pairs of E‐XRaman data are obtained. The regression curve shows that E monotonically increases with XRaman. The nonlinearity of the curve may be attributed to the α‐relaxation and cross‐linking of PCL chains. The chemical structure of this material significantly impacts the mechanical properties, thus requiring future investigation.
Clinical features and prognostic factors for extracranial oligometastatic breast cancer in China
Authors: Lan Bo , Abudureheiyimu Nilupai , Zhang Jingyi , Wang Chenyu , Jiang Shiyu , Wang Jiayu , Ma Fei , Luo Yang , Chen Shanshan , Xu Binghe , Fan Ying
Published: June 2020

Evidence of an oligometastatic state in metastatic breast cancer (MBC) is relatively limited. The aim of our study was to investigate the clinical features and prognostic factors for extracranial oligometastatic breast cancer and to identify the best treatment approaches in this select population. Fifty postoperative inpatients diagnosed with extracranial oligometastatic breast cancer at the National Cancer Center in China between 2009 and 2014 were consecutively enrolled. Oligometastatic breast cancer was defined as MBC with three or fewer metastatic lesions confined to one organ; de novo Stage IV disease and local‐regional recurrence were excluded. The median progression‐free survival (PFS) and overall survival (OS) times were 15.2 and 78.9 months, respectively, and the 2‐year PFS and 5‐year OS rates were 40% and 58%, respectively. First‐line treatment approach with standard systemic treatment + surgical resection for all metastatic lesions was an independent prognostic factor for prolonged PFS (hazard ratio = 0.32; 95% confidence interval [CI], 0.14‐0.73; P = .006) and OS (hazard ratio = 0.35; 95% CI, 0.14‐0.86; P = .022). Subgroup analysis showed that patients with a disease‐free interval (DFI) ≥24 months, one metastatic lesion or the hormone receptor (HR) + subtype were more likely to get benefit from resection. Patients with oligometastatic breast cancer have a relatively good prognosis. Surgical resection for metastatic lesions could significantly improve PFS and OS. Further prospective research is warranted to confirm the results and to develop biomarkers for better patient selection.
Increased risk of mental health problems after cancer during adolescence: A register‐based cohort study
Authors: Hovén Emma , Ljung Rickard , Ljungman Gustaf , Ljungman Lisa , Skoglund Charlotte , Fransson Emma , Wikman Anna
Published: June 2020

In this nationwide, register‐based study, we estimated the risk of mental health problems in 2822 individuals diagnosed with cancer in adolescence (13‐19 years). Mental health problems were assessed by psychiatric diagnoses and/or prescribed psychotropic drugs. Cox proportional hazards models estimated hazard ratio (HR) for a psychiatric diagnosis and prescription of psychotropic drug compared to a matched comparison group (n = 28 220). Estimates were adjusted for calendar period and parent characteristics (eg, history of psychiatric diagnosis, education, country of birth). We found an increased risk of a psychiatric diagnosis during the first 5 years after the cancer diagnosis (females: HR 1.23, 95% CI, 1.06‐1.44; males: HR 1.32, 95% CI, 1.11‐1.56), and at >5 years after diagnosis (females: HR 1.31, 95% CI, 1.09‐1.58, males: HR 1.45, 95% CI, 1.18‐1.77). The risk of being prescribed antidepressant (females: HR 1.54, 95% CI, 1.30‐1.84, males: HR 2.06, 95% CI, 1.66‐2.55), antipsychotic (females: HR 2.28, 95% CI, 1.56‐3.34, males: HR 3.07, 95% CI, 2.13‐4.42), anxiolytic (females: HR 1.95, 95% CI, 1.64‐2.31, males: HR 4.02, 95% CI, 3.34‐4.84) and sedative drugs (females: HR 2.24, 95% CI, 1.84‐2.72, males: HR 3.91, 95% CI, 3.23‐4.73) were higher than for comparisons during the first 5 years after diagnosis. Median age at first psychiatric diagnosis and first prescribed psychotropic drug were 18 years. In conclusion, cancer during adolescence is associated with increased risk of mental health problems that may develop in close proximity to treatment. The findings emphasize the need for comprehensive care during treatment and follow‐up.
Meta‐analysis of heparin combined with aspirin versus aspirin alone for unexplained recurrent spontaneous abortion
Authors: Li Jie , Gao Yue‐hua , Xu Lin , Li Zeng‐yan
Published: June 2020

Background

Unexplained recurrent spontaneous abortion (URSA) frustrates women of childbearing age profoundly, and effective therapies are particularly important.

Objective

To compare the efficacy of heparin combined with aspirin and aspirin alone for URSA.

Search strategy

Electronic databases (PubMed, Medline, Web of Science, Clinical key and Cochrane Library) were searched for relevant studies from database inception to August 2019.

Selection criteria

Studies of women of childbearing age with at least two consecutive abortions were included.

Data collection and analysis

Relevant items were extracted, tabulated, and subjected to STATA for data analysis. Study women were divided into group A (taking heparin plus aspirin) and group B (taking aspirin alone). The primary outcome was the rate of live birth.

Main results

Women from eight randomized controlled trials were included: 493 in group A and 501 in group B. The number of live births was significantly higher in group A (P=0.003). The result remained the same in subgroup analysis by presence of antiphospholipid antibodies. Among women who had a live birth, gestational age at delivery tended to be older in group B (P=0.054). No differences in birthweight or intrauterine growth restriction were observed. Adverse effects were sporadically reported.

Conclusion

Among women with URSA, heparin combined with aspirin increased the live birth rate as compared with aspirin alone. There was a beneficial tendency of taking aspirin‐only to prolong gestation week.
Evaluation of the clinical and safety outcomes of face‐to‐face vs a telephonic model of a pharmacist‐led outpatient anticoagulation service
Authors: Saw Yashi , Yap Shi Yin , Tan Yu Heng
Published: June 2020

Background

The traditional method of seeing warfarin patients face‐to‐face and titrating their international normalized ratio (INR) in anticoagulation clinics has advanced over the years to include an alternative telephonic consultation with expanded collaborative services involving outpatient polyclinics and use of self‐testing coagulometers.

Objective/Setting

This study evaluated the clinical and safety outcomes of using telephonic vs face‐to‐face consultation in a pharmacist‐led outpatient anticoagulation service at National University Hospital (NUH), a tertiary hospital in Singapore.

Method

A retrospective observational study was carried out in patients with atrial fibrillation whose warfarin therapy was managed by either standard or telephonic anticoagulation services. Patients on at least 2 months of warfarin therapy prior to study inclusion were recruited from January to June 2017 and followed up for 6 months.

Main Outcome Measure

Clinical outcomes included mean INR time in therapeutic range (TTR), INR TTR ± 0.2 units and ± 0.5 units variances, mid‐point INR TTR, and patients with INR >5 within the 6‐month study period. Safety outcomes included thromboembolic events, major bleeding, and clinically relevant nonmajor bleeding.

Results

A total of 152 patients were included in the analysis. The mean TTRs (including the variances) were all not statistically significant between face‐to‐face and telephonic consultations (TTR: 65.7% vs 64.6%, P = .853; TTR ± 0.2 variance: 82.3% vs 87.3%, P = .098; TTR ± 0.5 variance: 95.5% vs 95.9%, P = .966; TTR in 3 months: 66.3% vs 66.0%, P = .723). There were no statistically significant differences between groups in patients with INR >5 within 6 months, thromboembolic, and bleeding events.

Conclusion

Clinical and safety outcomes of telephonic consultation were comparable to face‐to‐face consultation in the pharmacist‐led outpatient anticoagulation service.
High levels of viral load monitoring and viral suppression under Treat All in Rwanda – a cross‐sectional study
Authors: Ross Jonathan , Ribakare Muhayimpundu , Remera Eric , Murenzi Gad , Munyaneza Athanase , Hoover Donald R , Shi Qiuhu , Nsanzimana Sabin , Yotebieng Marcel , Nash Denis , Anastos Kathryn ,   Central Africa IeDEA
Published: June 2020

Introduction

Aiming to reach UNAIDS 90‐90‐90 targets, nearly all sub‐Saharan African countries have expanded antiretroviral therapy (ART) to all people living with HIV (PLWH) (Treat All). Few published data exist on viral load testing and viral suppression under Treat All in this region. We assessed proportions of patients with available viral load test results and who were virally suppressed, as well as factors associated with viral suppression, among PLWH in 10 Rwandan health centres after Treat All implementation.

Methods

Cross‐sectional study during 2018 of adults (≥15 years) engaged in HIV care at 10 Rwandan health centres. Outcomes were being on ART (available ART initiation date in the study database, with no ART discontinuation prior to 1 January 2018), retained on ART (≥2 post‐ART health centre visits ≥90 days apart during 2018), available viral load test results (viral load measured in 2018 and available in study database) and virally suppressed (most recent 2018 viral load <200 copies/mL). We used modified Poisson regression models accounting for clustering by health centre to determine factors associated with being virally suppressed.

Results

Of 12,238 patients, 7050 (58%) were female and 1028 (8%) were aged 15 to 24 years. Nearly all patients (11,933; 97%) were on ART, of whom 11,198 (94%) were retained on ART. Among patients retained on ART, 10,200 (91%) had available viral load results; of these 9331 (91%) were virally suppressed. Viral suppression was less likely among patients aged 15 to 24 compared to >49 years (adjusted prevalence ratio (aPR): 0.83, 95% CI 0.76 to 0.90 and those with pre‐ART CD4 counts of <200 compared to ≥500 cells/mm3 (aPR: 0.92, 95% CI 0.90 to 0.93). There was no statistically significant difference in viral suppression among patients who entered after Treat All implementation compared to those who enrolled before 2010 (aPR 0.98, 95% CI 0.94 to 1.03).

Conclusions

In this large cohort of Rwandan PLWH receiving HIV care after Treat All implementation, patients in study health centres have surpassed the third UNAIDS 90‐90‐90 target. To ensure all PLWH fully benefit from ART, additional efforts should focus on improving ART adherence among younger persons.
Suboccipital muscle of sharpnose sevengill shark Heptranchias perlo and its possible role in prey dissection
Authors: Kryukova Nadezhda V. , Kuznetsov Alexander N.
Published: June 2020

Skull and head muscles of Heptranchias perlo were studied. Its distinctive features include the suboccipital muscles, described for the first time, the absence of the palatoquadrate symphysis, a longitudinally extended mouth, and teeth unsuited for dissecting prey in typical method of modern sharks, which is cutting motions powered by head shaking from side to side. The palatoquadrate cartilages of H. perlo and closely related Hexanchidae articulate with the neurocranium via orbital and postorbital articulations, which together allow for lateral expansion of the jaws, but restrict retraction and protraction. We interpret these features as an adaptation to a different method of prey dissection, that is, ripping in a backward pull. It employs the specific postorbital articulation together with the suboccipital muscles as force‐transmitting devices, and is powered by swimming muscles which produce a rearward thrust of the tail. During this type of dissection, the anterior part of the vertebral column should experience a tensile stress which explains the replacement of rigid vertebral bodies by a collagenous sheath around the notochord in H. perlo. The backward‐ripping dissection could have been common among ancient Elasmobranchii based on the similarly developed postorbital articulation, a longitudinally extended mouth, and the absence of the palatoquadrate symphysis. A biomechanical comparison with the extinct Pucapampella indicates that ancient elasmobranchs could be also specialized in the backward‐ripping prey dissection, but their mechanism was different from that inferred for H. perlo. We suggest that in the early evolution of sharks this mechanism was replaced by head‐shaking dissection and then later was restored in H. perlo on a new morphological basis. A new position of the postorbital articulation below the vertebral axis is fraught with the braincase elevation when backward ripping the prey, and as a counter‐mean, requires formation of suboccipital portions of the axial musculature unknown in other sharks. Homology and origin of these portions is considered.
Longer development provides first‐feeding fish time to escape hydrodynamic constraints
Authors: Dial Terry R. , Lauder George V.
Published: June 2020

What is the functional effect of prolonged development? By controlling for size, we quantify first‐feeding performance and hydrodynamics of zebrafish and guppy offspring (5 ± 0.5 mm in length), which differ fivefold in developmental time and twofold in ontogenetic state. By manipulating water viscosity, we control the hydrodynamic regime, measured as Reynolds number. We predicted that if feeding performance were strictly the result of hydrodynamics, and not development, feeding performance would scale with Reynolds number. We find that guppy offspring successfully feed at much greater distances to prey (1.0 vs. 0.2 mm) and with higher capture success (90 vs. 20%) compared with zebrafish larvae, and that feeding performance was not a result of Reynolds number alone. Flow visualization shows that zebrafish larvae produce a bow wave ~0.2 mm in length, and that the flow field produced during suction does not extend beyond this bow wave. Due to well‐developed oral jaw protrusion, the similar‐sized suction field generated by guppy offspring extends beyond the horizon of their bow wave, leading to successful prey capture from greater distances. These findings suggest that prolonged development and increased ontogenetic state provides first‐feeding fish time to escape the pervasive hydrodynamic constraints (bow wave) of being small.
Reliability of SM2RAIN precipitation datasets in comparison to gauge observations and hydrological modelling over arid regions
Authors: Satgé Frédéric , Hussain Yawar , Molina‐Carpio Jorge , Pillco Ramiro , Laugner Coralie , Akhter Gulraiz , Bonnet Marie‐Paule
Published: June 2020

Numerous satellite‐based precipitation datasets have been successively made available. Their precipitation estimates rely on clouds properties derived from microwave and thermal sensors in a so‐named ‘top‐down’ approach. Recently, a ‘bottom‐up’ approach to infer precipitation from soil moisture (SM) estimates has resulted in the release of two new precipitation datasets (P‐datasets). One uses satellite‐based SM estimates from the European Spatial Agency (ESA) Climate Change Initiative (CCI) (SM2RAIN‐CCI) while the other uses satellite‐based SM from European Organization for the Exploitation of Meteorological Satellites (EUMETSAT) Advanced SCATterometer (ASCAT) (SM2RAIN‐ASCAT). This study assesses SM2RAIN‐ASCAT and ‐CCI reliability over two arid regions: Bolivian and Peruvian Altiplano and Pakistan (South Asia) using (a) direct comparisons with rain gauges and (b) testing the sensitivity of streamflow modelling to the P‐datasets. Selecting two different regions and different indicators helps to assess whether the P‐dataset reliability varies depending on the assessment method and location. For comparison purposes, the most reliable P‐datasets from the literature are also considered (IMERG‐E v.6, IMERG‐L v.6, IMERG‐F v.6, CHIRPS v.2 and MSWEP v.2.2). Compared to rain gauge observations and based on the modified Kling–Gupta Efficiency (KGE) values, the SM2RAIN‐ASCAT and ‐CCI are more accurate in the Altiplano than in Pakistan. This difference is explained by a more favourable physical context for satellite‐based SM estimates in the Altiplano. Over the Altiplano and despite an overall positive bias, SM2RAIN‐ASCAT describes rain gauges temporal dynamics as well as IMERG‐F v.6, CHIRPS v.2 and MSWEP v.2.2 and provides streamflow simulations very close to those obtained when using IMERG‐F v.6, CHIRPS v.2 and MSWEP v.2.2 as forcing data.
Scaling law for strain dependence of Raman spectra in transition‐metal dichalcogenides
Authors: Zhang Ye , Guo Huaihong , Sun Wei , Sun Hongzhi , Ali Sajjad , Zhang Zhidong , Saito Riichiro , Yang Teng
Published: June 2020

Based on ab initio density functional calculation and nonresonant Raman theory, we calculate strain dependent Raman spectra of six kinds of transition‐metal dichalcogenides (TMDCs). The biaxial strain dependence of Raman intensity and direct band gap in TMDC monolayers is systematically studied from which we show a scaling law of the Raman intensity and band gap. Out‐of‐plane A1g mode has vanishing intensity under a certain strain. Such a strain‐induced behavior is found to be universal in the TMDC, and Raman intensity for the six TMDCs can be scaled as a function of Gruneissen parameter γ and Raman wavenumbers in the frame of Morse‐type function. The scaling behavior of Raman intensity and direct band gap in TMDCs indicates of some material‐independent picture which can be used for new understanding of properties and design of new‐type functional devices for electronic and optoelectronic application based on strain engineering.
Physiological role of silicon in radish seedlings under ammonium toxicity
Authors: Olivera Viciedo Dilier , de Mello Prado Renato , Lizcano Toledo Rodolfo , Salas Aguilar Dayami , dos Santos Luiz Claudio Nascimento , Calero Hurtado Alexander , Peña Calzada Kolima , Betancourt Aguilar Carmen
Published: June 2020

BACKGROUND

High concentrations of ammonium as the sole nitrogen source may result in physiological and nutritional disorders that can lead to reduced plant growth and toxicity. In this study, we hypothesized that ammonium toxicity in radish seedlings (Raphanus sativus L.) might be mitigated by the incorporation of silicon (Si) into applied nutrient solution. To examine this possibility, we conducted a hydroponic experiment to evaluate the effects of five concentrations of ammonium (1, 7.5, 15, 22.5, and 30 mmol L−1) on the photosynthesis, green color index, stomatal conductance, transpiration, instantaneous water‐use efficiency, and biomass production of radish in the absence and presence (2 mmol L−1) of Si. The experimental design was a randomized block design based on a 2 × 5 factorial scheme with four replicates.

RESULTS

The highest concentration of applied ammonium (30 mmol L−1) was found to reduce the photosynthesis, transpiration and total dry biomass of radish seedlings, independent of the presence of Si in the nutrient solution. However, at lower ammonium concentrations, the application of Si counteracted these detrimental effects, and facilitated the production of seedlings with increased photosynthesis, greater instantaneous water‐use efficiency, and higher total dry biomass compared with the untreated plants (without Si). Transpiration and stomatal conductance were affected to lesser extents by the presence of Si.

CONCLUSION

These findings indicate that the addition of Si to nutrient solutions could provide an effective means of alleviating the unfavorable effects induced by ammonium toxicity at concentrations of less than 30 mmol L−1. © 2020 Society of Chemical Industry
Yeast population dynamics during spontaneous fermentation of icewine and selection of indigenous Saccharomyces cerevisiae strains for the winemaking in Qilian, China
Authors: Feng Li , Wang Jiaming , Ye Dongqing , Song Yuyang , Qin Yi , Liu Yanlin
Published: June 2020

BACKGROUND

Icewine produced in China is becoming popular, but there is only limited knowledge available on the yeast population that occurs during fermentation and also on the selection of indigenous Saccharomyces cerevisiae strains for its production. In this work, we first investigated yeast species and the evolution of yeast population in spontaneous fermentations of icewine produced in the Qilian region of China and then analyzed the biodiversity and important enological properties of S. cerevisiae isolates.

RESULTS

Seven species of five genera including S. cerevisiae, S. uvarum, Torulaspora delbrueckii, Hanseniaspora uvarum, Lachancea thermotolerans, Metschnikowia aff. fructicola and H. osmophila were identified by the colony morphology on Wallerstein Laboratory Nutrient medium and sequence analysis of the 26S rRNA gene D1/D2 domain. Saccharomyces cerevisiae, H. uvarum and L. thermotolerans were the dominant species, representing almost 87% of the total yeast isolates. Microvinification with seven preselected S. cerevisiae strains were performed on Vidal. All selected strains could complete fermentations, and the enochemical parameters were within the acceptable ranges of the wine industry. W5B3 produced higher amounts of ethyl hexanoate and ethyl octanoate than other strains. R3A10 was a low volatile acid producer and the corresponding icewine presented the highest values on some odorants including β‐damascenone, 1‐octen‐3‐ol, ethyl 2‐methylbutyrate, and isoamyl alcohol. Vidal icewines fermented with R3A10, R3A16 and W5B3 were well accepted by the judges because of superior sensory quality.

CONCLUSION

Three indigenous strains (R3A10, R3A16 and W5B3) could be used as starters and could potentially improve the regional character of the icewine in Qilian. © 2020 Society of Chemical Industry
Fabrication of Cross‐Linked Anion Exchange Membranes Using a Pillar[5]arene Bearing Multiple Alkyl Bromide Head Groups as Cross‐Linker
Authors: Peng Jinwu , Liang Minhui , Cao Kaiyue , Liu Zhenchao , Wang Peng , Hu Wei , Jiang Zhenhua , Liu Baijun
Published: June 2020

A pillararene‐based macrocycle with up to 10 flexible chains bearing alkyl bromide head groups is synthesized and investigated for the first time as a multiarm cross‐linker for tertiary‐amine functionalized polyethersulfone. Different from any previously reported cross‐linker, this has a unique pillar‐shaped structure and abundant reactive sites to form multifunctional clusters in the conductive domain. This advantage enables cross‐linking to occur smoothly at the membrane‐casting stage and endows the cross‐linked membranes with improved performance. The cross‐linked anion exchange membranes are found to possess high conductivities and excellent alkaline stability. With a controllable swelling ratio of 19.5%, the maximum conductivity of a membrane can reach 155 mS cm–1 at 80 °C. Due to its local high‐density cross‐linked structure, a delay in degradation kinetics under alkaline condition can be observed, and the loss of conductivity is <10% after 400 h of alkaline stability test at 80 °C.
Virtual Screening and Design with Machine Intelligence Applied to Pim‐1 Kinase Inhibitors
Authors: Schneider Petra , Welin Martin , Svensson Bo , Walse Björn , Schneider Gisbert
Published: June 2020

Ligand‐based virtual screening of large compound collections, combined with fast bioactivity determination, facilitate the discovery of bioactive molecules with desired properties. Here, chemical similarity based machine learning and label‐free differential scanning fluorimetry were used to rapidly identify new ligands of the anticancer target Pim‐1 kinase. The three‐dimensional crystal structure complex of human Pim‐1 with ligand bound revealed an ATP‐competitive binding mode. Generative de novo design with a recurrent neural network additionally suggested innovative molecular scaffolds. Results corroborate the validity of the chemical similarity principle for rapid ligand prototyping, suggesting the complementarity of similarity‐based and generative computational approaches.
Feasibility study of patient‐specific energy verification using a multilayer acrylic‐disk radiation sensor
Authors: Son Jaeman , Shin Dongho , Kim Taeho , Park Sukwon , Rah Jeong‐Eun
Published: June 2020

Purpose

Obtaining an integral depth‐dose (IDD) curve using a recently developed acrylic‐disk radiation sensor (ADRS) is time‐consuming because its single structure requires point‐by‐point measurements in a water phantom. The goal of this study was to verify the ability of a newly designed multilayer ADRS, composed of 20 layers, to measure the energy of proton pencil beam scanning (PBS) in patient‐specific quality assurance (QA).

Materials and methods

The multilayer ADRS consisted of a disk‐type transmitter, with a diameter of 15 cm and with a thickness of 1 mm, surrounded by a thin optical fiber; this ADRS provided a higher spatial resolution than the single ADRS, which was 2 mm. The dosimetric characteristics of the multilayer ADRS were determined to accurately measure the energy delivered layer‐by‐layer. We selected five patients to verify the energy measured using the multilayer ADRS from the actual clinical proton therapy plans. The accuracy of the results measured using the multilayer ADRS was compared with that of measurements by a Bragg peak ionization chamber (IC) and that calculated by a Monte Carlo TOPAS simulation.

Results

The difference between the multilayer ADRS measurements and those of the TOPAS simulation was within 1% for all patients. The ranges, corresponding to the beam energies for each patient, measured using the multilayer ADRS were closer to those calculated using the TOPAS simulation than those measured using the Bragg peak IC.

Conclusions

The multilayer ADRS is well suited to verifying the energy of a pencil beam. The acrylic materials used in its configuration make this device easier to use and more cost‐effective than conventional detectors. This device, with its high extensibility and stability, may be applicable as a new dosimetry tool for PBS.
Why adaptive management will not save us: Exploring management directives' interaction with practice
Authors: Gutheil Lena
Published: June 2020

Sparked by the critique of practitioners and academics on the excessive managerialisation of development project management, the donor community turns increasingly towards adaptive management approaches. Rather than examining the effectiveness of the new adaptive management trend, the article deals with the more fundamental question of how the underlying relationship between management frameworks and practice can be characterised. To this end, the article analyses the practices of a select number of Dutch Civil Society consortia that are working with a new adaptive management framework. Making use of a practice theory approach, the analysis finds that rules are not directly translated into practice. The presented rules (innovations) are always mediated by antecedent practice, shared histories and interactions amongst individuals, communities and artefacts. Notably, the flexibility provided for in the framework does not reach all links in the aid chain equally and is counterbalanced by the institutional realities of the aid system. The article therewith adds to the literature on everyday development management cautioning against overestimating the effects of management tools, as they operate within and are determined by the funding and accountability requirements of the larger aid regime.
Aquatic Therapy in Contemporary Neurorehabilitation: An Update
Authors: Becker Bruce E.
Published: June 2020

Aquatic therapy has been used extensively in a number of neurologic diseases and pathologies. This review describes disease‐specific rehabilitative applications for this population. Recent research has offered scientific support for use in common neurological diseases that are part of rehabilitative practice, and very recent findings may create even firmer support for its use in these as well as other conditions. Stroke, Parkinsonism, and multiple sclerosis are areas that have recently received a significant number of published studies. Dementia is another area that has been more recently studied and received basic science support. Cerebral palsy has also had recent supportive evidence published. Available literature is reviewed to create a more evidence‐based support for the use of aquatic therapy in neurorehabilitation.
cnnAlpha: Protein disordered regions prediction by reduced amino acid alphabets and convolutional neural networks
Authors: Oberti Mauricio , Vaisman Iosif I.
Published: June 2020

Intrinsically disordered regions (IDR) play an important role in key biological processes and are closely related to human diseases. IDRs have great potential to serve as targets for drug discovery, most notably in disordered binding regions. Accurate prediction of IDRs is challenging because their genome wide occurrence and a low ratio of disordered residues make them difficult targets for traditional classification techniques. Existing computational methods mostly rely on sequence profiles to improve accuracy which is time consuming and computationally expensive. This article describes an ab initio sequence‐only prediction method—which tries to overcome the challenge of accurate prediction posed by IDRs—based on reduced amino acid alphabets and convolutional neural networks (CNNs). We experiment with six different 3‐letter reduced alphabets. We argue that the dimensional reduction in the input alphabet facilitates the detection of complex patterns within the sequence by the convolutional step. Experimental results show that our proposed IDR predictor performs at the same level or outperforms other state‐of‐the‐art methods in the same class, achieving accuracy levels of 0.76 and AUC of 0.85 on the publicly available Critical Assessment of protein Structure Prediction dataset (CASP10). Therefore, our method is suitable for proteome‐wide disorder prediction yielding similar or better accuracy than existing approaches at a faster speed.
Ferroelectric Memristor Based on Hf0.5Zr0.5O2 Thin Film Combining Memristive and Neuromorphic Functionalities
Authors: Zhao Zhen , Yan Xiaobing
Published: June 2020

As a new type of semiconductor memory device, memristors receive wide attention because of their ability to realize multilevel memory and synapse‐like learning. However, memristors made of traditional materials often demonstrate dispersion and unstable switching. Ferroelectric memristors can solve this problem and realize the regulation of synaptic plasticity. Herein, memristors based on Hf0.5Zr0.5O2 are fabricated on Si substrates. The I–V curve shows that the turn‐on voltage of the device is lower for Hf0.5Zr0.5O2 film than for other compositions in HfxZr1−xOy films, and the ratio of ROFF/RON can reach 104, implying excellent device performance. Furthermore, the train of pulse with different parameters can influence the modulation of device conductance. Also, the synaptic plasticity behavior of the device is studied. These results lay the foundation for the development of ferroelectric thin films with neuron‐like artificial synapses.
Pink Fluorescent Carbon Dots Derived from the Phytomedicine for Breast Cancer Cell Imaging
Authors: Naik Gaurav Gopal , Alam Md Bayazeed , Pandey Vivek , Dubey Pawan Kumar , Parmar Avanish S. , Sahu Alakh N.
Published: June 2020

Phytomedicines have been beneficial to humankind for the treatment of implacable ailments from time immemorial. In this report, we have synthesized a carbon dots as a photomedicine from traditional phytomedicine Andrographis paniculata which is widely spread across Southern and Southeastern Asia. Interestingly, these carbon dots exhibited unique pink fluorescence that is perceptibly distinctive from the previous reports. The inherent properties of carbon dots were characterised using Transmission Electron Microscopy, Fluorescence spectroscopy, Absorption spectroscopy, Fourier transform infrared spectroscopy, Selected area diffraction, X‐Ray Diffraction, and Energy Dispersive X‐ray Spectroscopy. Furthermore, thermal stability of carbon dots was determined using Thermo gravimetric analysis. The carbon dots are fabricated to possess breast cancer cell bioimaging applications apart from anti‐bacterial activities against clinically isolated strains of gram‐positive and gram‐negative bacteria and free radicals sensing and scavenging attributes. These findings establish carbon dots as a potential photomedicine with wide healthcare applications.
Convenient and Versatile Synthetic Protocol for Arylidene‐1H‐imidazol‐5(4H)‐ones
Authors: Sokolov Anatolii I. , Myasnyanko Ivan N. , Baleeva Nadezhda S. , Baranov Mikhail S.
Published: June 2020

We propose a new protocol for synthesis of the arylidene‐1H‐imidazol‐5(4H)‐ones which is based on O‐alkylation of amidoacetates using triethyloxonium tetrafluoroborate leading to carboximidates. These imidates have long been used in the synthesis of imidazolones by [2+3] cycloaddition reaction with Schiff bases. However, diversity of carboximidates prepared by the common techniques was limited. The protocol we proposed eliminated these limitations. Using this technique, a number of derivatives of the green fluorescent protein (GFP) and asFP chromophores were synthesized, and influence of the C2 residue on their optical properties was studied.
Atomic Thickness Catalysts: Synthesis and Applications
Authors: Han Ali , Zhang Zedong , Li Xinyuan , Wang Dingsheng , Li Yadong
Published: June 2020

Atomic thickness catalysts (ATCs) have shown huge prospects in energy conversion applications due to the prominent advantages in large specific surface area and high density of exposed surface atoms over their bulk counterparts. The established ATCs, including metals (alloys), layered double hydroxides (LDHs), transition metal dichalcogenides (TMDs), transition metal oxides (TMOs), and carbon‐based materials, have exhibited higher efficiency and better catalytic stability than that of commercial noble metal‐based nanocrystals for energy conversion related reactions. In this review, important progress is exemplified from the aspects of synthetic methods (e.g., bottom‐up and top‐down methods) and energy conversion related reactions, for instance, oxygen reduction reaction (ORR), formic acid oxidation reaction (FAOR), methanol oxidation reaction (MOR), ethanol oxidation reaction (EOR), oxygen evolution reaction (OER), hydrogen evolution reaction (HER), and carbon dioxide (CO2) reduction reaction (CRR). Furthermore, a valuable insight into the remaining challenges and potential opportunities for ATCs is provided in the fields of energy conversion applications.
Fast covariance estimation for multivariate sparse functional data
Authors: Li Cai , Xiao Luo , Luo Sheng
Published: June 2020

Covariance estimation is essential yet underdeveloped for analysing multivariate functional data. We propose a fast covariance estimation method for multivariate sparse functional data using bivariate penalized splines. The tensor‐product B‐spline formulation of the proposed method enables a simple spectral decomposition of the associated covariance operator and explicit expressions of the resulting eigenfunctions as linear combinations of B‐spline bases, thereby dramatically facilitating subsequent principal component analysis. We derive a fast algorithm for selecting the smoothing parameters in covariance smoothing using leave‐one‐subject‐out cross‐validation. The method is evaluated with extensive numerical studies and applied to an Alzheimer's disease study with multiple longitudinal outcomes.
Mildly hydrophobic biobased mulch: A sustainable approach to controlling bare soil evaporation
Authors: Barnes Jesse Lee , Nicholl Michael John
Published: June 2020

Mulching with polyethylene film is the conventional approach to decrease evaporative water loss from agricultural soils, but it is not environmentally sustainable. In this study, a laboratory experiment was conducted to test the potential utility of partially polymerized soybean oil (PSO) coated sands as a surface treatment to reduce bare soil evaporation. Evaporation was tracked for 23.8 d from saturated sand columns treated with a surface layer (1 or 2 cm) of either coated medium sand (MS‐PSO) or coated coarse sand (CS‐PSO). The water drop penetration time (WDPT) was used to assess the hydrophobicity of fresh PSO‐coated sands; the saturated hydraulic conductivity (Ks) and particle density (ρs) were measured as well. The WDPT was also tested on MS‐PSO and CS‐PSO samples aged in four separate environmental conditions for 20–21 d. Both PSO‐coated sands were mildly hydrophobic, and the surface treatment layers reduced evaporative loss by 83–96% over bare soil, which is similar to previous work using extremely hydrophobic chemically treated sands. Freshly coated MS‐PSO had a higher WDPT score and lower Ks than CS‐PSO. After the environmental aging tests, the MS‐PSO and CS‐PSO samples remained mildly hydrophobic. Notably, CS‐PSO had a low initial WDPT (∼1.09 to ∼2.58 s) and a high Ks (2.66 × 10−1 cm s−1), suggesting coarse PSO‐coated sands will permit infiltration. Given these findings, PSO‐coated sand has the potential to be developed into a sustainable alternative to polyethylene film mulch.
Development of a simulation approach for laser powder bed fusion based on scanning strategy selection
Authors: Foteinopoulos Panagis , Papacharalampopoulos Alexios , Angelopoulos Konstantinos , Stavropoulos Panagiotis
Published: June 2020

An important quality-related aspect of metal-based additive manufacturing (AM) parts is the existence of thermal stresses and deformations. To address this issue, a 3D thermal simulation approach for powder bed fusion (PBF) processes has been developed, along with the definition of an index that encapsulates the intensity of the non-uniformity of the thermal field. The proposed approach delivers sufficient and computationally low-cost results regarding the intensity of the expected thermal stresses and deformations. A case study of eighteen parts is presented, in which eight different scanning strategies are tested to identify the optimum scanning strategy in terms of thermal stresses and deformations. Finally, the impact of different design elements on the importance of the scanning strategy selection in terms of thermal stresses and deformations is discussed. Both the developed model and the index have been benchmarked using experimental and computational data.
Experiences with image quality and radiation dose of cone beam computed tomography (CBCT) and multidetector computed tomography (MDCT) in pediatric extremity trauma
Authors: Tschauner Sebastian , Marterer Robert , Nagy Eszter , Singer Georg , Riccabona Michael , Sorantin Erich
Published: June 2020

Introduction

Novel dedicated extremity cone beam computed tomography (CBCT) devices, recently introduced to the market, raised attention as a possible alternative in advanced diagnostic pediatric trauma imaging, today usually performed by multidetector computed tomography (MDCT). This work aimed to compare image quality and radiation dose of CBCT and MDCT.

Materials and methods

Fifty-four CBCT-MDCT examination pairs, containing nine MDCTs acquired in parallel prospectively and 45 MDCTs matched in retrospect, were included in this study. Image quality was analyzed semi-objectively by measuring noise, contrast-to-noise ratio (CNR), and signal-to-noise ratios (SNR) and subjectively by performing image impression ratings. CT dose records were readout.

Results

Image noise was significantly lower in CBCT compared with MDCT, both semi-objectively and subjectively (bothp < 0.001). CNR and SNRs were also in favor of CBCT, though CBCT examinations exhibited significantly more beam hardening artifacts that diminished the advantages of the superior semi-objective image quality. These artifacts were believed to occur more often in children due to numerous bone-cartilage transitions in open growth plates and may have led to a better subjective diagnostic certainty rating (p = 0.001). Motion artifacts were infrequently, but exclusively observed in CBCT. CT dose index (CTDIvol) was substantially lower in CBCT (p < 0.001).

Conclusion

Dedicated extremity CBCT could be an alternative low-dose modality in the diagnostic pathway of pediatric fractures. At lower doses compared with MDCT and commonly affected by beam hardening artifacts, semi-objective CBCT image quality parameters were generally better than in MDCT.