bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of the Pharmacokinetics, Pharmacodynamics, and Safety of a Single Dose of Emicizumab in Healthy Chinese Subjects
Authors: Li Haiyan , Zhang Weijiang , Petry Claire , Li Lindong , Fernandez Elena , Kiialainen Anna , Feng Sheng , Hsu Wanling , Li Li , Wei Yudong , Schmitt Christophe
Published: May 2020

This phase 1, open‐label, single‐center study evaluated the pharmacokinetics (PK), pharmacodynamics, safety, and tolerability of single‐dose emicizumab in healthy Chinese males. Overall, 16 subjects received a single subcutaneous dose of 1‐mg/kg emicizumab. Blood samples were obtained before dosing on day 1 and at regular intervals over 16 weeks after dosing for PK evaluation. A single 1‐mg/kg subcutaneous dose of emicizumab was safe and well tolerated in healthy Chinese male subjects in the study. Mean (± standard deviation) area under the concentration‐time curve from time 0 to infinity and maximum concentration were 287 ± 74.2 μg⋅d/mL and 7.11 ± 1.77 μg/mL, respectively, with a terminal half‐life of 26.7 (±4.3) days. Emicizumab administration did not show significant impact on pharmacodynamic markers tested, which mostly remained stable throughout the study. One subject tested positive for antidrug antibody, with no impact on his PK or safety profile. Compared with results from healthy Japanese and Caucasian subjects receiving the same dose in previous clinical trials, the current results further indicated the absence of difference of emicizumab PK profile across Chinese, Japanese, and Caucasian subjects, validating the use of similar therapeutic doses in Asian and non‐Asian populations.
Genomic prediction for broad and specific adaptation in sorghum accommodating differential variances of SNP effects
Authors: Velazco Julio G. , Jordan David R. , Hunt Colleen H. , Mace Emma S. , van Eeuwijk Fred A.
Published: May 2020

This paper reports a first study exploring genomic prediction for adaptation of sorghum [Sorghum bicolor (L.) Moench] to drought‐stress (D‐ET) and nonstress (W‐ET) environment types. The objective was to evaluate the impact of both modeling genotype × environment interaction (G×E) and accounting for heterogeneous variances of marker effects on genomic prediction of parental breeding values for grain yield within and across environment types (ETs). For this aim, different genetic covariance structures and different weights for individual markers were investigated in best linear unbiased prediction (BLUP)‐based prediction models. The BLUP models used a kinship matrix combining pedigree and genomic information, termed K‐BLUP. The dataset comprised testcross yield performances under D‐ET and W‐ET as well as pedigree and genomic data. In general, modeling G×E increased predictive ability and reduced empirical bias of genomic predictions for broad adaptation across both ETs vs. models that ignored G×E by fitting a main genetic effect only. Genomic predictions for specific adaptation to D‐ET or W‐ET were also improved by K‐BLUP models that explicitly accommodated G×E and used data from both ETs relative to prediction models that used data from the targeted ET exclusively or models that used all the data but assumed no G×E. Allowing for heterogeneous marker variances through weighted K‐BLUP produced clear increments (43–72%) in predictive ability of genomic prediction for grain yield in all adaptation scenarios. We conclude that G×E as well as locus‐specific genetic variances should be accommodated in genomic prediction models to improve adaptability of sorghum to variable environmental conditions.
Squash cytology of a case of medulloblastoma with myogenic differentiation
Authors: Bhattacharya Trishita , Bansal Neha , De Sayantan , Chatterjee Uttara , Mallick Mamata Guha
Published: May 2020

Medulloblastoma with myogenic differentiation is not a distinct entity but a pattern of differentiation seen in <1% of medulloblastomas. Although squash cytology of medulloblastoma is well described, there are no reports available describing squash cytomorphology of this unusual variant of medulloblastoma. Intraoperative squash smears on a 2‐year‐old girl with a midline posterior fossa space occupying lesion revealed features of an embryonal tumor composed of small, round, and blue cells. In addition, it had several large, round, eosinophilic rhabomyoblasts, and a few strap cells scattered among the sea of small blue cells. Subsequent histology showed features of a medulloblastoma, classic type with myogenic differentiation. Molecular subtyping, based on immunohistochemistry alone, was in keeping with a non‐Wnt/non‐SHH activated type. Here we describe the squash cytomorphological details of a case of medulloblastoma with myogenic differentiation, along with its cytological differentials.
Population size estimates based on the frequency of genetically assigned parent–offspring pairs within a subsample
Authors: Müller Björn , Mercker Moritz , Brün Jörg
Published: May 2020

Estimating population density as precise as possible is a key premise for managing wild animal species. This can be a challenging task if the species in question is elusive or, due to high quantities, hard to count. We present a new, mathematically derived estimator for population size, where the estimation is based solely on the frequency of genetically assigned parent–offspring pairs within a subsample of an ungulate population. By use of molecular markers like microsatellites, the number of these parent–offspring pairs can be determined. The study's aim was to clarify whether a classical capture–mark–recapture (CMR) method can be adapted or extended by this genetic element to a genetic‐based capture–mark–recapture (g‐CMR). We numerically validate the presented estimator (and corresponding variance estimates) and provide the R‐code for the computation of estimates of population size including confidence intervals. The presented method provides a new framework to precisely estimate population size based on the genetic analysis of a one‐time subsample. This is especially of value where traditional CMR methods or other DNA‐based (fecal or hair) capture–recapture methods fail or are too difficult to apply. The DNA source used is basically irrelevant, but in the present case the sampling of an annual hunting bag is to serve as data basis. In addition to the high quality of muscle tissue samples, hunting bags provide additional and essential information for wildlife management practices, such as age, weight, or sex. In cases where ag‐CMR method is ecologically and hunting‐wise appropriate, it enables a wide applicability, also through its species‐independent use.
Impact of plasma xanthine oxidoreductase activity in patients with heart failure with preserved ejection fraction
Authors: Watanabe Ken , Watanabe Tetsu , Otaki Yoichiro , Shishido Tetsuro , Murase Takayo , Nakamura Takashi , Kato Shigehiko , Tamura Harutoshi , Nishiyama Satoshi , Takahashi Hiroki , Arimoto Takanori , Watanabe Masafumi
Published: May 2020

Aims

Reactive oxygen species are reportedly involved in the mechanism underlying heart failure with preserved ejection fraction (HFpEF); however, the disease pathophysiology remains poorly understood. Xanthine oxidoreductase (XOR), the rate‐limiting enzyme of purine metabolism, plays an important role in uric acid production and generates reactive oxygen species. However, the impact of plasma XOR activity on the clinical outcomes of patients with HFpEF remains unclear. The aim of this study was to investigate whether plasma XOR activity is associated with major adverse cardiovascular events (MACEs) in patients with HFpEF.

Methods and results

The plasma XOR activity was measured in 257 patients with HFpEF, who were then divided into three groups according to the activity levels: low XOR group (<33 pmol/h/mL, n = 45), normal XOR group (33–120 pmol/h/mL, n = 160), and high XOR group (>120 pmol/h/mL, n = 52). During the median follow‐up period of 809 days, there were 74 MACEs. Kaplan–Meier analysis revealed that the high XOR group was at the highest risk for MACEs. Multivariate analysis by Cox's proportional hazard regression approach showed that high XOR activity was significantly associated with MACEs, after adjustment for confounding factors. The patients were also divided into four groups according to the absence/presence of high XOR activity and/or hyperuricaemia. According to the multivariate Cox regression analysis, high XOR activity was associated with MACEs, regardless of the hyperuricaemia status.

Conclusions

Elevated plasma XOR activity is significantly associated with adverse clinical outcomes in patients with HFpEF.
NNN‐Cobalt(II) Pincer Complexes: Paramagnetic NMR Spectroscopy in Solution and Application as Hydrosilylation Catalysts
Authors: Blasius Clemens K. , Wadepohl Hubert , Gade Lutz H.
Published: May 2020

The tridentate, monoanionic bis(oxazolinylmethylidene)‐isoindolate pincer ligand was utilized for the synthesis of various cobalt(II) high‐spin complexes. Employing standard complexation procedures, the corresponding acetato and chlorido complexes were isolated in good yields and thoroughly characterized in the solid‐state and in solution. In particular, a density functional theory (DFT) supported paramagnetic NMR analysis revealed a strong correlation between observed 13C NMR shifts and calculated spin‐density distributions, allowing for an unambiguous signal assignment in all 1H and 13C NMR spectra. An acetato‐bridged trinuclear cobalt species as well as the hexacoordinate “homoleptic” complex [(Rboxmi)2Co] were further identified as side products generated in the complex synthesis. The chlorido complexes were applied as catalysts for the cobalt‐catalyzed hydrosilylation of acetophenone, producing the chiral secondary alcohol with moderate enantioselectivities.
Synthesis of C‐Glycosyl Amino Acid Building Blocks Suitable for the Solid‐Phase Synthesis of Multivalent Glycopeptide Mimics
Authors: Reintjens Niels R. M. , Koemans Tony S. , Zilverschoon Nick , Castelli Riccardo , Cordfunke Robert A. , Drijfhout Jan Wouter , Meeuwenoord Nico J. , Overkleeft Herman S. , Filippov Dmitri V. , van der Marel Gijsbert A. , Codée Jeroen D. C.
Published: May 2020

Five C‐glycosyl functionalized lysine building blocks, featuring C‐glycosidic derivatives of α‐rhamnose, α‐mannose, α‐galactose, β‐galactose, and β‐N‐acetyl glucosamine have been designed and synthesized. These derivatives, equipped with acid‐labile protecting groups, are eminently suitable for solid‐phase synthesis of multivalent glycopeptides. The lysine building blocks were prepared from C‐allyl glycosides that underwent a Grubbs cross‐metathesis with an acrylate, followed by a reduction of the C=C double bond in the resulting α,β‐unsaturated esters, and liberation of the carboxylate to allow condensation with a lysine side chain. The thus obtained C‐glycosides, five in total, were applied in the solid‐phase peptide synthesis (SPPS) of three glycopeptides, showing the potential of the described building blocks in the assembly of well‐defined mimics of homo‐ and heteromultivalent glycopeptides and glycoclusters.
Divalent Triazole‐Linked Carbohydrate Mimetics: Synthesis by Click Chemistry and Evaluation as Selectin Ligands
Authors: Salta Joana , Reissig Hans‐Ulrich
Published: May 2020

Starting from an enantiopure 3‐amino‐substituted pyran derivative, the synthesis of a series of divalent 1,2,3‐triazole‐linked carbohydrate mimetics is described. The preparation of the required 3‐azido‐substituted pyran proceeds smoothly by copper‐catalyzed diazo transfer. Using different conditions for the Huisgen‐Meldal‐Sharpless cycloaddition, this azide reacts with several diynes to furnish the desired divalent carbohydrate mimetics bearing rigid or flexible linker units. The in situ generation of the 3‐azidopyran in the presence of Cu/C as catalyst followed by the reaction with the alkyne allows a direct one‐pot transformation from the 3‐aminopyran to the desired click products. We also examined the Sakai‐Westermann method that transfers primary amines with the aid of α,α‐dichlorotosylhydrazones into 1,2,3‐triazoles. These copper‐free click conditions were applied for the first time to the preparation of a divalent compound. The O‐sulfation of the carbohydrate mimetics was achieved using the SO3‐DMF complex under careful 1H‐NMR control. Five polysulfated compounds could be obtained in pure form and these were tested by surface plasmon resonance spectroscopy as inhibitors of L‐selectin giving IC50 values between 45 nm and 50 µm.
Effect of acetylene fuelling on performance, emission and combustion characteristics of stationary spark‐ignition engine
Authors: Sharma Sumit , Sharma Dilip , Soni Shyam Lal , Singh Digambar
Published: May 2020

The continuous depletion of conventional fuels requires urgent research work to identify feasible alternative fuels to meet the minimum environmental impact of sustainable energy demand. Due to good combustion characteristics, acetylene being one of such alternative fuel and has the potential to be a future fuel. In this concern, it was decided to perform experimentation on a stationary water‐cooled spark ignition (S.I.) engine in acetylene‐gasolinedual fuel mode. In this experimental investigation, the effects of acetylene and gasoline mixtures on the performance, emissions, and combustion characteristics have been observed. Acetylene was supplied through a modified engine intake manifold at optimized conditions for petrol. The optimum flow rate of acetylene was found by comparing the performance and emissions for 50, 100, and 150 LPH, respectively, at 1600 revolution per minute (rpm). The experimental results showed that the brake thermal efficiency at 100 LPH was the highest amongst all the flow rates under study, throughout the load range in acetylene‐gasoline dual fuel mode. HC, CO, and CO2 emissions for this acetylene flow rate were either low or comparable to that of pure gasoline. Based on this study, it can be concluded that use of acetylene in S.I. engine without any major modifications is feasible without having any adverse effect on the engine performance, combustion, and emissions.
Oral treatment with the Chinese herbal supplements B307 enhances muscle endurance of ICR mice after exhaustive swimming via suppressing fatigue, oxidative stress, and inflammation
Authors: Chuang Tai‐Yuan , Lien Chia‐Ying , Tsai Ya‐Chun , Lin Kuei‐Fu , Hsu Chih‐Hsiang , Wu Wan‐Jhen , Su Li‐Yu , Lu Chen‐Wen , Wu Chung‐Hsin
Published: May 2020

Exhaustive exercise may damage muscles due to oxidative stress and inflammation and cause muscle fatigue and soreness. The study investigated the effects of Chinese herbal supplements (CHS) B307 on muscle endurance after exhaustive swimming (ES). Thirty‐two male ICR mice were randomly divided into 4 groups: Sham + ES, pretreatment of CHS B307 + ES (Pre + ES), post‐treatment of CHS B307 + ES (Post + ES), and dual treatment of CHS B307 + ES (Dual + ES). All mice were subjected to ES in the form of a forced swimming test. Then, we compared ES time (EST) as the index of muscular endurance. Also, we examined the fatigue, oxidative stress, inflammation, and damage in the muscle tissue among these groups by using immunohistochemistry (IHC), chemiluminescence, and biochemical analysis. Our results revealed that those mice of Pre + ES and Dual + ES groups had remarkably better EST than those mice of Sham + ES and Post + ES groups. Those mice with oral treatment of CHS B307(Pre + ES, Post + ES, and Dual + ES groups) showed significantly reduced leukocyte counts in the urine, and reduced levels of reactive oxygen species (ROS), neutrophils, and lactic acid in the blood than those mice of Sham + ES. In addition, those mice with oral treatment of CHS B307 (Pre + ES, Post + ES, and Dual + ES groups) showed significant alleviation of oxidative stress, inflammation, and damage in the muscle tissue than those mice of Sham + ES. Thus, we suggested that CHS B307 can be a functional sports supplement because it can enhance muscle endurance after exhaustive swimming via suppressing fatigue, oxidative stress, and inflammation.
Feeling addressed! The neural processing of social communicative cues in patients with major depression
Authors: Suffel Anne , Nagels Arne , Steines Miriam , Kircher Tilo , Straube Benjamin
Published: May 2020

The feeling of being addressed is the first step in a complex processing stream enabling successful social communication. Social impairments are a relevant characteristic of patients with major depressive disorder (MDD). Here, we investigated a mechanism which—if impaired—might contribute to withdrawal or isolation in MDD, namely, the neural processing of social cues such as body orientation and gesture. During funtional magnetic resonance imaging (fMRI) data acquisition, 33 patients with MDD and 43 healthy control subjects watched video clips of a speaking actor: one version with a gesture accompanying the speech and one without gesture. Videos were filmed simultaneously from two different viewpoints: one with the actor facing the viewer head‐on (frontal) and one side‐view (lateral). After every clip, the participants were instructed to evaluate whether they felt addressed or not. Despite overall comparable addressment ratings and a large overlap in activation patterns in MDD and healthy subjects for gesture processing, the anterior cingulate cortex, bilateral superior/middle frontal cortex, and right angular gyrus were more strongly activated in patients than in healthy subjects for the frontal conditions. Our analyses revealed that patients showed specifically higher activation than healthy subjects for the frontal condition without gesture in regions including the posterior cingulate cortex, left prefrontal cortex, and the left hippocampus. We conclude that MDD patients can recognize and interpret social cues such as gesture or body orientation; however, they seem to require more neural resources. This additional effort might affect successful communication and contribute to social isolation in MDD.
On the Way to Optoionics
Authors: Senocrate Alessandro , Kotomin Eugene , Maier Joachim
Published: May 2020

Based on the recent finding of significant ion conduction enhancement in iodide perovskites upon illumination, the potential of an emerging field ‘opto‐ionics’ – that we define in parallelism to ‘opto‐electronics’ – is explored. We emphasize that the major prerequisite is the identification of appropriate stable materials which can act as light‐tunable electrolytes, permeation membranes, or electrodes. In this way, classic, but light‐tunable electrochemical devices would be in reach. We also touch upon related issues such as sensing, switching, and catalysis, in which light effects on ionic charge carriers are also expected to be important.
Para‐aortic lymphadenectomy did not improve overall survival among women with type I endometrial cancer
Authors: Li Lin , Tang Mingming , Nie Dan , Gou Jinhai , Li Zhengyu
Published: May 2020

Objective

To compare outcomes and prognosis among women with type I endometrial cancer undergoing hysterectomy and bilateral salpingo‐oophorectomy (H‐BSO) with or without systematic pelvic lymphadenectomy (PLD) or para‐aortic lymphadenectomy (PALD).

Methods

Retrospective review of women postoperatively diagnosed with type I endometrial cancer who underwent H‐BSO at a university hospital in Chengdu, China (January 2010 to June 2012). Women were divided into no lymphadenectomy (PLD−/PALD−), systematic pelvic lymphadenectomy (PLD+/PALD−), or combined pelvic and para‐aortic lymphadenectomy (PLD+/PALD+) groups. Follow‐up was by telephone. Postoperative outcomes and prognosis were compared and risk factors were analyzed.

Results

In total, 333 women met the inclusion criteria: 121 underwent PLD+/PALD−, 166 underwent PLD+/PALD+, and 46 underwent PLD−/PALD−. There were no differences in pre‐operative characteristics among the groups (all P>0.05). The PLD+/PALD+ group had a higher laparotomy rate (P=0.001), the PLD−/PALD− group had shorter operation time (P=0.001) and lower blood loss (P<0.001). There were no differences between the PLD+/PALD− and PLD+/PALD+ groups. Overall, 291 women had sufficient follow‐up data; there was no difference in overall survival, and PALD was not a predictor of survival.

Conclusion

Postoperative outcomes were similar among all surgical groups; a survival benefit of PALD was not demonstrated.
Performance evaluation of three i‐SENS glucometers using arterial blood samples compared with the YSI 2300 Glucose Analyzer
Authors: Kim Ha Nui , Moon Kyung Chul , Yoon Soo‐Young
Published: May 2020

Background

Capillary blood is the most commonly used sample for point‐of‐care (POC) glucometers. However, in critically ill patients, the glucose levels measured from capillary blood may not be reliable. Thus, we aimed to evaluate and compare the accuracy of glucose levels measured with POC glucometers and the YSI 2300 glucose analyzer using leftover arterial blood samples.

Methods

In total, 100 leftover heparinized arterial blood samples were used to evaluate the performance of three i‐SENS glucometers (BAROzen H Expert plus, CareSens PRO, and CareSens H Beat) and the ACCU‐CHEK® Inform II glucometer. The reference value was obtained using the YSI 2300 glucose analyzer. The results were analyzed based on International Organization for Standardization 15197:2013 guidelines.

Results

More than 95% of results obtained using POC glucometers were within ±15 mg/dL of the reference value for glucose concentrations <100 mg/dL and within ±15% of the reference value for glucose concentrations ≥100 mg/dL. In the consensus error grid analysis, more than 99% of results were found to be within zones A and B. An excellent correlation was found between the values obtained using POC glucometers and the YSI 2300 glucose analyzer (R2 > .99).

Conclusion

The i‐SENS glucometers showed stable and accurate results when leftover arterial blood samples were used. Therefore, POC glucometers could be useful in critical care settings, such as intensive care units, where arterial samples are routinely used.
Improving the power density of a Geobacter consortium‐based microbial fuel cell by incorporating a highly dispersed birnessite/C cathode
Authors: Fuentes‐Albarrán Carmen , Juárez Katy , Gamboa Sergio , Tirado Ana , Alvarez‐Gallegos Alberto
Published: May 2020

BACKGROUND

Microbial fuel cell (MFC) power production is limited by the cathodic oxygen reduction reaction (ORR). The quest for platinum‐free materials for improving the cathodic ORR in MFCs is a challenging task. Birnessite‐type MnO2/carbon cathodes in MFCs have been rarely reported so far. In this work, a birnessite/C cathode was tested in a MFC.

RESULTS

A birnessite/C cathode was synthesized (using a rapid, facile and low‐cost method) and its structural and morphological characteristics were assessed. The ORR on such a cathode was investigated using linear sweep voltammetry in a catholyte of 0.8 mol L–1 Na2SO4, pH 2 (same conditions as those of experimental MFCs). The current density values were higher than those for a plain C cathode. The volumetric power density improved from 224 to 6201 mW m−3 on replacing the plain C cathode with the birnessite/C cathode in a MFC. Deltaproteobacteria were found at the C anode and they were associated with the high power densities obtained.

CONCLUSIONS

Birnessite/C is a promising cathodic electrode because its synthesis is straightforward, it is not expensive and it could promote the ORR and improve the power density in MFCs. © 2020 Society of Chemical Industry
When work is wanted after hours: Testing weekly stress of information communication technology demands using boundary theory
Authors: Park YoungAh , Liu Yihao , Headrick Lucille
Published: May 2020

Information communication technologies (ICTs; e.g., smartphones) enable employees to work anywhere and anytime, blurring work and family boundaries. Building on this trend, this study draws from work–family border/boundary theory to examine antecedents and consequences of employees' weekly experiences of ICT demands (i.e., being accessible and contacted for work after hours via ICTs). A sample of 546 elementary teachers completed a registration survey and a weekly diary for 5 weeks. Multilevel modeling results suggest that ICT demands as a form of work intrusion in the home can constitute a source of significant weekly strain (i.e., negative rumination, negative affect, and insomnia). As border crossers, teachers' adoption of a technological boundary tactic (i.e., keeping work email alerts turned off on mobile phones) was related to lower weekly ICT demands. As important border keepers at work, school principals' work–family support was related to teachers' lower weekly ICT demands, whereas parents' after‐hours boundary expectations were related to teachers' higher weekly ICT demands. Moreover, teachers' boundary control was found as a mediating mechanism by which the two border keepers influenced teachers' ICT demands−negative rumination link. That is, teachers who received fewer boundary expectations and/or more work–family support had greater boundary control, which in turn buffered the ICT demands–negative rumination relationship.
Cultural land use and vegetation dynamics in the uplands of northern Portugal from the Middle Ages to the Modern period
Authors: Sá Ferreira Carla , Plunkett Gill , Fontes Luís
Published: May 2020

In Europe, mountain landscapes have evolved in a long‐term relationship with human communities and present‐day landscapes reflect that ancient interaction. The present study aims to reconstruct human activity in two mountain areas in northern Portugal using palynological analysis integrated with the available regional historical, archaeological and palaeoenvironmental archives. Pollen records from two sedimentary sequences span the Medieval and Modern periods and show that mixed agriculture and livestock grazing were consistently present in both regions throughout these times. Variations in cultural indicators show that the extent of farming fluctuated throughout time, with a general increase in cultivation during the Medieval period but with contractions likely coinciding with times of social disturbance. Historical sources suggest that sociopolitical factors and population pressure were fundamental in the utilisation of upland spaces. This study did not find any convincing evidence to suggest that fire was a fundamental factor in heathland spread. We conclude that long‐term occupation of the uplands was sustained by low‐intensity land use throughout the Medieval to post‐Medieval periods, and that the present landscape has assumed a very different character following depopulation of the mountain areas and a shift towards commercial forestry.
Wrap‐around electrodes for microLED tiled displays
Authors: Pastel David , Peterson Richard , Buchholz Tetyana , Tadesse Haregewine , Vaddi Rajesh , Kuo Kuan Ting , Garner Sean , Khan Sijan , Curtis Jamie
Published: May 2020

The authors have developed a process to create wrap‐around electrodes (WAEs) on glass for use in tiled microLED display applications. The electrodes have small size and spacing, low resistance, and good reliability. In addition, an opaque overcoat protects the edges of the tiles and reduces seam visibility. These electrodes allow bezel‐free tiled operation for high‐resolution displays.
Determination of 5‐fluorocytosine, 5‐fluorouracil, and 5‐fluorouridine in hospital wastewater by liquid chromatography–mass spectrometry
Authors: Škvára Pavel , Santana‐Viera Sergio , Montesdeoca‐Esponda Sarah , Mordačíková Erika , Santana‐Rodríguez José Juan , Vojs Staňová Andrea
Published: May 2020

Chemotherapeutics are pharmaceutical compounds the occurrence of which in the environment is of growing concern because of the increase in treatments against cancer diseases. They can reach the aquatic ecosystems after passing through wastewater treatment plants without complete removal. One of the most frequently used chemotherapeutics is 5‐fluorouracil which exhibits a strong cytostatic effect. In this paper, an analytical methodology was developed, validated, and applied to determine 5‐fluorouracil, its precursor, 5‐fluorocytosine, and its major active metabolite, 5‐fluorouridine, in hospital wastewater samples. Due to the expected low concentrations after dilution and interferences present in such a complex matrix, a very selective and sensitive detection method is required. Moreover, an extraction method must be implemented prior to the determination in order to purify the sample extract and preconcentrate the target analytes at micrograms per liter concentration levels. Solid‐phase extraction followed by liquid chromatography with tandem mass spectrometry was the combination of choice and all included parameters were studied. Under optimized conditions for wastewater samples analysis, recoveries from 63 to 108% were obtained, while intraday and interday relative standard deviations never exceeded 20 and 25%, respectively. Limits of detection between 61 and 620 ng/L were achieved. Finally, the optimized method was applied to samples from hospital wastewater effluents.
Simultaneous quantification and rat pharmacokinetics of formononetin‐7‐O‐β‐d‐glucoside and its metabolite formononetin by high‐performance liquid chromatography–tandem mass spectrometry
Authors: Zhang Peng , Ma Han , Lin Xiaolan , Qiu Feng
Published: May 2020

Formononetin‐7‐O‐β‐d‐glucoside has been proved to have significant anti‐inflammatory effect. To evaluate its rat pharmacokinetics, a rapid, sensitive, and specific liquid chromatography–tandem mass spectrometry method has been developed and validated for the quantification of formononetin‐7‐O‐β‐d‐glucoside and its main metabolite formononetin in rat plasma. Samples were pretreated using a simple protein precipitation and the chromatographic separation was performed on a C18 column by a gradient elution using a mobile phase consisting of water and acetonitrile both containing 0.1% formic acid. Both analytes were detected using a tandem mass spectrometer in positive multiple reaction monitoring mode. The assay showed wide linear dynamic ranges of both 0.10–100 ng/mL, with acceptable intra‐ and inter‐batch accuracy and precision. The lower limits of quantification were both 0.10 ng/mL using 50 μL of rat plasma for two analytes. The method has been successfully used to investigate the oral pharmacokinetic profiles of both analytes in rats. After oral administration of formononetin‐7‐O‐β‐d‐glucoside at the dose of 50 mg/kg, it was rapidly absorbed in vivo and metabolized to its metabolite formononetin. The plasma concentration‐time profiles both showed double‐peak phenomena, which would be attributed to the strong enterohepatic circulation of formononetin‐7‐O‐β‐d‐glucoside.
Anisotropic Third‐Harmonic Generation in Layered Germanium Selenide
Authors: Dasgupta Arindam , Gao Jie , Yang Xiaodong
Published: May 2020

Germanium selenide (GeSe) is a 2D layered material with an anisotropic crystal structure analogous to black phosphorus (BP). But unlike BP, GeSe is stable under ambient conditions and therefore provides more flexibility in building practical nanoscale devices. The in‐plane anisotropic vibrational, electrical, and optical properties of layered GeSe originating from the low symmetry of its crystal structure are being explored mostly for building polarization‐sensitive optoelectronic devices. However, the nonlinear optical properties of layered GeSe have not been investigated yet. Here, the anisotropic polarization‐dependent third‐harmonic generation (THG) from exfoliated thin GeSe flakes due to the low in‐plane lattice symmetry is reported. Furthermore, it is also shown that the intensity and polarization state of TH emission can be controlled by the polarization state of pump beam. Moreover, it is demonstrated that the crystal's symmetry axes can be rapidly determined by characterizing the intensity profile of TH emission upon the excitation from radially or azimuthally polarized vector beam. The results of this study pave the way for realizing anisotropic nonlinear optical devices such as multiplexers, signal processors, and other prototypes for future on‐chip photonic circuits and optical information processing.
Degradable Polymer Films Made from Poly(salicylic‐acid‐co‐sebacic acid) and Poly(sebacic anhydride)/Poly(adipic anhydride) Blends: Degradation Kinetics and Use as Sacrificial Layers for Polymer Multilayer Systems
Authors: Deng Zhuoling , Riga Esther K. , Lienkamp Karen
Published: May 2020

Two approaches to obtain fast‐degrading polymer films based on poly(sebacic anhydride) (PSA) are presented, both of which target polymer films with a lower degree of crystallinity than pure PSA homopolymer: first, thin films are prepared from poly(adipic anhydride)/poly(sebacic anhydride) blends at different ratios, and second, films are made from the copolymer poly(salicylic acid‐co‐sebacic acid). These films are intended as sacrificial layers for self‐regenerating functional coatings, for example, to regenerate antimicrobial surface activity. The degradation kinetics of these films are analyzed by surface plasmon resonance spectroscopy. The results of the blends approach indicate that the blend degradation rate is accelerated only in the initial degradation phase (compared to PSA). The degradation kinetics study of the poly(salicylic‐acid‐co‐sebacic acid) film shows that this copolymer degrades faster than poly(sebacic anhydride) initially, releasing antimicrobial salicylic acid in the process. However, its degradation rate slows down at a mass loss >60% and approaches the PSA degradation curve at longer degradation times. When tested as sacrificial layer in self‐regenerating antimicrobial polymer stacks, it is found that the degradation rate is too low for successful layer shedding.
Tailor‐Made Functional Polymethacrylates with Dual Characteristics of Self‐Healing and Shape‐Memory Based on Dynamic Covalent Chemistry
Authors: Mondal Prantik , Behera Prasanta K. , Voit Brigitte , Böhme Frank , Singha Nikhil K.
Published: May 2020

New shape memory polymers with self‐healing behavior are obtained by thermoreversible Diels–Alder (DA) cross‐linking of a furfuryl group‐containing star‐block copolymer with 1,1′‐(methylenedi‐4,1‐phenylene)bismaleimide. The star‐block copolymer consisting of a 3‐arm polycaprolactone (PCL) core and a polyfurfuryl methacrylate shell is synthesized by reversible addition–fragmentation chain transfer (RAFT) polymerization. For this, a 3‐arm macro‐RAFT agent based on PCL is converted with an appropriate amount of furfuryl methacrylate in the presence of a radical initiator. Films of the DA network are partly insoluble at ambient temperatures. After annealing at 120 °C the films become completely soluble because of the progressing retro‐DA reaction. Evaporation of the solvent and subsequent annealing at 60 °C restores the original insoluble state of the material. By means of a scratch test and tensile tests on cut and subsequently mended samples it is shown that the retro‐DA reaction facilitates self‐healing. Additionally, the films show pronounced shape memory effects with reasonable shape recovery and fixity ratios, which are attributed to the melting and crystallization of the PCL phase.
Recent Advances in Complex Coacervation Design from Macromolecular Assemblies and Emerging Applications
Authors: Zhou Lili , Shi Huihui , Li Zibiao , He Chaobin
Published: May 2020

Coacervation is a process during which a homogeneous aqueous solution undergoes liquid–liquid phase separation, giving rise to two immiscible liquid phases composed of a colloid‐rich coacervate phase in equilibrium with a colloid‐poor phase simultaneously. Recent attempts to develop complex coacervation from macromolecular self‐assemblies have diversified a large group of novel coacervate‐related materials with sophisticated properties and emerging applications. In this review, the most recent progress in the design strategies of macromolecular complex coacervation is discussed with respect to different key parameters, including macromolecular structure, mixing ratio, ionic strength, pH, and temperature, etc. Furthermore, the applications of these multiple‐functional coacervate materials, oriented toward advanced encapsulation, are further summarized into several active domains in wastewater treatment, protein purification, food formulation, underwater adhesives, drug delivery, and cellular mimics. Finally, perspectives and future challenges related to the further advancement of macromolecular complex coacervates are proposed.
Self‐Assembly Anisotropic Magnetic Nanowire Films Induced by External Magnetic Field
Authors: Hassan Muhammad , Zhan Hui‐Juan , Wang Jin‐Long , Liu Jian‐Wei , Chen Jia‐Fu
Published: May 2020

Self‐assembly generated materials induced by an external magnetic field have attracted considerable interest following the development of nanodevices. However, the fabrication of macroscopic and anisotropic magnetic films at the nanoscale remains a challenge. Here, anisotropic magnetic films are successfully prepared using a solution‐based nanowire assembly strategy under a magnetic field. The assembly process is manipulated by changing the thickness of silica shell coated on the surface of magnetic nanowires. The anisotropic magnetic films show highly anisotropic magnetization under different angles of magnetic field and better magnetization properties than that of disordered magnetic films. The well‐defined nanowire arrays enable magnetization anisotropic property which may be useful in the magnetic energy conversion technologies and biomedical sciences which lie far beyond those achievable with traditional magnetic materials.
Does screening for prostate cancer improve cancer‐specific mortality in Asian men? Real‐world data in Yokosuka City 15 years after introducing PSA‐based population screening
Authors: Tabei Tadashi , Taguri Masataka , Sakai Naoki , Koh Hideshige , Yosida Minoru , Fujikawa Atsushi , Nirei Takuma , Tsutsumi Sohgo , Ito Hiroki , Furuhata Souichi , Kawahara Takashi , Miyoshi Yasuhide , Noguchi Sumio , Uemura Hiroji , Kobayashi Kazuki
Published: May 2020

Background

Studies of prostate‐specific antigen (PSA)‐based population screening have been conducted in western countries, but there is little data in Asian populations. The objective of this study was to determine the efficacy of PSA screening in Asian men using real‐world data over a period of 15 years after introducing population screening in Yokosuka City, Japan.

Methods

We investigated patients with pathologically diagnosed prostate cancer at four hospitals and two clinics across the Yokosuka area (Miura peninsula) between April 2001 and March 2015. Patients were divided into two groups; the S group consisted of those diagnosed by PSA‐based population screening in Yokosuka City and the NS group consisted of those diagnosed by methods other than screening. Cancer‐specific survival (CSS) and overall survival (OS) rates were calculated using the Kaplan‐Meier method with the log‐rank test to compare survival between the two groups. Clinical and pathological factors for cancer‐specific mortality were assessed with Cox regression analyses to calculate the hazard ratio (HR) and 95% confidence interval (CI).

Results

A total of 3094 patients had been diagnosed with prostate cancer over the 15‐year period. The median follow‐up period was 77 months. The S group and the NS group consisted of 977 and 2117 patients, respectively. Patients in the S group were younger (age: 71 years vs 73 years, P < .001) and had a lower Charlson comorbidity index (CCI) with favorable oncological factors, such as lower initial PSA, Gleason score (GS), and risk category. Kaplan‐Meier curves for OS and CSS revealed significant differences between the two groups (OS: P < .001, CSS: P < .001). Analysis with Cox proportional hazards model indicated the NS group (HR: 1.584, 95% CI, 1.065‐2.356, P = .023), a CCI > 4 (HR: 1.552, 95% CI, 1.136‐2.120, P = .006), a GS ≥ 8 (HR: 4.869, 95% CI, 2.631‐9.001, P < .001), and nonlocalized cancer (locally advanced; HR: 2.632, 95% CI, 1.676‐4.133, P < .001, advanced; HR: 9.468, 95% CI, 6.279‐14.278, P < .001) as independent risk factors for cancer‐specific mortality.

Conclusions

PSA‐based population screening of prostate cancer might be useful in the Japanese population.
Robust inference for one‐shot device testing data under exponential lifetime model with multiple stresses
Authors: Balakrishnan Narayanaswamy , Castilla Elena , Martín Nirian , Pardo Leandro
Published: May 2020

Introduced robust density‐based estimators in the context of one‐shot devices with exponential lifetimes under a single stress factor. However, it is usual to have several stress factors in industrial experiments involving one‐shot devices. In this paper, the weighted minimum density power divergence estimators (WMDPDEs) are developed as a natural extension of the classical maximum likelihood estimators (MLEs) for one‐shot device testing data under exponential lifetime model with multiple stresses. Based on these estimators, Wald‐type test statistics are also developed. Through a simulation study, it is shown that some WMDPDEs have a better performance than the MLE in relation to robustness. Two examples with multiple stresses show the usefulness of the model and, in particular, of the proposed estimators, both in engineering and medicine.
The Structural Determination of Drotaverine Hydrochloride Using NMR Studies
Authors: Kuz'mina Natalya E. , Moiseev Sergey V. , Khorolskiy Mikhail D. , Lutceva Anna I.
Published: May 2020

In product specification files and scientific literature, the international name of drotaverine hydrochloride is assigned to two different chemical compounds: 1‐(3,4‐diethoxybenzylidene)‐6,7‐diethoxy‐1,2,3,4‐tetrahydroisoquinoline hydrochloride (I) and 1‐(3,4‐diethoxybenzyl)‐6,7‐diethoxy‐3,4‐dihydroisoquinoline hydrochloride (II). These compounds are double bond position isomers; each of them has its own CAS number and the international chemical structural identifier‐InChIKey. The fact that there are two different structural formulas under the name of drotaverine hydrochloride can be explained by the intramolecular tautomerism between the compounds I and II. The aim of the study is to determine the structure of drotaverine hydrochloride samples with different structural formulas using NMR spectroscopy, and explore the possibility of their intramolecular rearrangement. We studied twenty‐two samples of drotaverine hydrochloride produced by various manufacturers. All the studied samples were found to be the compound II. Changes in the temperature, solvent, and pH did not cause the intramolecular tautomerism and conversion of the compound II into the compound I. There is no published evidence of methods, specific for either of the compounds, that confirm the structure of the compound I. The international non‐proprietary name of drotaverine hydrochloride was found to correspond to the compound 1‐(3,4‐diethoxybenzyl)‐6,7‐diethoxy‐3,4‐tetrahydroisoquinoline hydrochloride.
Metallicity‐Dependent Ultrafast Water Transport in Carbon Nanotubes
Authors: Velioğlu Sadiye , Karahan Hüseyin Enis , Goh Kunli , Bae Tae‐Hyun , Chen Yuan , Chew Jia Wei
Published: May 2020

Carbon nanotubes (CNTs) with hydrophobic and atomically smooth inner channels are promising for building ultrahigh‐flux nanofluidic platforms for energy harvesting, health monitoring, and water purification. Conventional wisdom is that nanoconfinement effects determine water transport in CNTs. Here, using full‐atomistic molecular dynamics simulations, it is shown that water transport behavior in CNTs strongly correlates with the electronic properties of single‐walled CNTs (metallic (met) vs semiconducting (s/c)), which is as dominant as the effect of nanoconfinement. Three pairs of CNTs (i.e., (8,8)met, 10.85 Å vs (9,7)s/c, 10.88 Å; (9,8)s/c, 11.53 Å vs (10,7)met, 11.59 Å; and (9,9)met, 12.20 Å vs (10,8)s/c, 12.23 Å) are used to investigate the roles of diameter and metallicity. Specifically, the (9,8)s/c can restrict the hydrogen‐bonding‐mediated structuring of water and give the highest reduction in carbon–water interaction energy, providing an extraordinarily high water flux, around 250 times that of the commercial reverse osmosis membranes and approximately fourfold higher than the flux of the state‐of‐the‐art boron nitrate nanotubes. Further, the high performance of (9,8)s/c is also reproducible when embedded in lipid bilayers as synthetic high‐water flux porins. Given the increasing availability of high‐purity CNTs, these findings provide valuable guides for realizing novel CNT‐enhanced nanofluidic systems.
Transient Photovoltage Measurements on Perovskite Solar Cells with Varied Defect Concentrations and Inhomogeneous Recombination Rates
Authors: Wang Zi Shuai , Ebadi Firouzeh , Carlsen Brian , Choy Wallace C. H. , Tress Wolfgang
Published: May 2020

In all kinds of solar cells, transient photovoltage (TPV) decay measurements have been used to determine charge carrier lifetimes and to quantify recombination processes and orders. However, in particular, for thin‐film devices with a high capacitance, the time constants observed in common TPV measurements do not describe recombination dynamics but RC (R: resistance, C: capacitance) times for charging the electrodes. This issue has been revisited for organic and perovskite solar cells in the recent literature. Here, these discussions are extended by analyzing a perovskite model system (Bi defects in Cs0.1FA0.9Pb(Br0.1I0.9)3 in which defect recombination can be tuned. It is found that TPV, intensity‐modulated photovoltage spectroscopy, and impedance spectroscopy yield the same time constants that do not describe recombination dynamics but are limited by the differential resistance of the diode and the geometric capacitance in common light intensity ranges (<1 sun). By employing numerical device simulations, it is found that low charge carrier mobility can furthermore limit the TPV time constants. In samples with spatially nonuniform recombination dynamics, two time constants are measured, which depend on the charge carrier generation profile that can be tuned by the wavelength of the incident light. In that case, numerical simulation provides insights into recombination and charge transport processes in the device.
Hot Deformation Behavior of P550 Steels for Nonmagnetic Drilling Collars
Authors: Xu Li-Wei , Li Hua-Bing , Jiang Zhou-Hua , Cai Ming-Hui , Jiao Wei-Chao , Feng Hao , Zhang Shu-Cai , Lu Peng-Chong
Published: May 2020

The hot deformation behavior of P550 steels containing different nitrogen contents (0.63 and 0.86 wt% N) is investigated by isothermal compression tests at 900–1200 °C and 0.05–5 s−1. Electron backscattered diffraction (EBSD) is performed to reveal the effects of nitrogen content, deformation temperature, and strain rate on dynamic recrystallization (DRX) behavior of P550 steels. The results indicate that high nitrogen significantly increases the flow stress and apparent activation energy of P550 steels; it also favors the nucleation of DRX by refining the initial grain size. As the deformation temperature is raised, both the fraction and average misorientation angle of DRX grains increase; however, these values first decrease and then increase with increasing the strain rate. The microstructural changes demonstrate that discontinuous DRX (DDRX) plays a dominant role in the nucleation of DRX for the studied steels, whereas continuous DRX (CDRX) is only a coordinated one.