bluuebunny/crossref_metadata_2025 huggingface dataset:
Fluorinated Nanocomposite Coatings for Confinement and Pumpless Transport of Low‐Surface‐Tension Liquids
Authors: Morrissette Jared M. , Ghosh Aritra , Campos Raymond , Mates Joseph E. , Mabry Joseph M. , Megaridis Constantine M.
Published: August 2019

Preparing surfaces that repel low‐surface‐tension liquids, such as oils and hydrocarbon fuels with surface tensions below 30 mN m−1, poses more challenges than attaining water repellency. Oleophobic surfaces are needed when organic fluids must be contained to avoid pollutant spreading. A composite material system is presented comprised of fluorinated silica (filler), a perfluoroalkyl methacrylate copolymer (binder), and fluorinated polyhedral oligomeric silsesquioxane (additive; considered the lowest surface‐energy material to date), which can be applied as a thin coating onto any substrate. The coating is shown to repel liquids with surface tension as low as 23.8 mN m−1. Regions of the coatings are made superoleophilic (high affinity to oils and other hydrocarbons) through laser processing, thus generating wettability‐patterned surfaces that can passively manage and transport low‐surface‐tension liquids by harnessing forces arising from the spatial confinement of the fluid. The rapid (>20 cm s−1) pumpless transport of several liquid hydrocarbons on open‐air, wettability‐engineered surfaces is demonstrated, and the respective transport rates are compared to those of water. The sprayable coating formulation and post‐processing steps used in this work offer a tractable approach to rapidly fabricate and test wettability‐engineered devices that can effectively contain, manage, and pumplessly transport low‐surface‐tension liquids on open surfaces.
Multifunctional Thermally Activated Delayed Fluorescence Emitters and Insight into Multicolor‐Mechanochromism Promoted by Weak Intra‐ and Intermolecular Interactions
Authors: Zheng Kailu , Yang Hannan , Ni Fan , Chen Zhanxiang , Gong Shaolong , Lu Zhenghong , Yang Chuluo
Published: August 2019

Two multifunctional emissive molecules (QBP‐DMAC and QBP‐PXZ) with a novel accepting unit (5,6‐dihydropyrrolo[2,1‐a]isoquinoline‐1,3‐diyl)bis(phenylmethanone) (QBP) are designed and synthesized. Both emitters exhibit thermally activated delayed fluorescence (TADF) and aggregation‐induced emission characteristics, and QBP‐DMAC shows multicolor mechanochromic luminescent (MCL). Intriguingly, crystal structure of QBP‐DMAC reveals loose molecular packing mode and slipped π–π intramolecular interactions between DMAC moieties, which are identified as the underlying mechanism for its MCL behavior. Moreover, the QBP‐DMAC‐based organic light‐emitting diode device achieves high external quantum efficiencies up to 18.8%, which is among the highest efficiencies for the MCL‐active TADF emitters.
Food abundance and weather influence habitat‐specific ranging patterns in forest‐ and savanna mosaic‐dwelling red‐tailed monkeys (Cercopithecus ascanius)
Authors: McLester Edward , Brown Michelle , Stewart Fiona A. , Piel Alex K.
Published: August 2019

Objectives

Primates that live in predominantly forested habitats and open, savanna mosaics should exhibit behavioral responses to differing food distributions and weather. We compared ecological constraints on red‐tailed monkey ranging behavior in forest and savanna mosaic environments. Intraspecific variation in adaptations to these conditions may reflect similar pressures faced by hominins during the Plio‐Pleistocene.

Methods

We followed six groups in moist evergreen forest at Ngogo (Uganda) and one group in a savanna‐woodland mosaic at the Issa Valley (Tanzania). We used spatial analyses to compare home range sizes and daily travel distances (DTD) between sites. We used measures of vegetation density and phenology to interpolate spatially explicit indices of food (fruit, flower, and leaves) abundance. We modeled DTD and range use against food abundance. We modeled DTD and at Issa hourly travel distances (HTD), against temperature and rainfall.

Results

Compared to Issa, monkeys at Ngogo exhibited significantly smaller home ranges and less variation in DTD. DTD related negatively to fruit abundance, which had a stronger effect at Issa. DTD and HTD related negatively to temperature but not rainfall. This effect did not differ significantly between sites. Home range use did not relate to food abundance at either site.

Conclusions

Our results indicate food availability and thermoregulatory constraints influence red‐tailed monkey ranging patterns. Intraspecific variation in home range sizes and DTD likely reflects different food distributions in closed and open habitats. We compare our results with hypotheses of evolved hominin behavior associated with the Plio‐Pleistocene shift from similar closed to open environments.
Hematemesis due to double sources: a case report of epistaxis following gastric ulcer
Authors: Yano Yudai , Hongo Takashi , Kuriyama Akira , Fujiwara Toshifumi
Published: August 2019

Background

Epistaxis is a common condition that can sometimes be overlooked. It usually presents with obvious symptoms but could also present as hematemesis and melena.

Case Presentation

A 78‐year‐old man presented to our emergency department with melena and shock. Initial endoscopy revealed a bleeding gastric ulcer. However, he had recurrent episodes of hematemesis and melena following coagulation therapy, and a repeat esophagogastroduodenoscopy could not identify the source of bleeding for more than 1 week. Epistaxis from nasal polyps was identified as the cause of hemorrhagic shock. Posterior nasal packing was carried out with Foley catheters, and an endoscopic sinus surgery was finally performed.

Conclusion

We report a case of epistaxis that caused hematemesis and melena following gastrointestinal bleeding. The diagnosis of epistaxis might have been delayed due to anchoring bias. Clinicians should be aware that epistaxis can mimic upper gastrointestinal bleeding and remember this important differential diagnosis.
An Interactive Model of Communication between Abiotic Nanodevices and Microorganisms
Authors: de Luis Beatriz , Llopis‐Lorente Antoni , Rincón Paola , Gadea José , Sancenón Félix , Aznar Elena , Villalonga Reynaldo , Murguía José Ramón , Martínez‐Máñez Ramón
Published: August 2019

The construction of communication models at the micro‐/nanoscale involving abiotic nanodevices and living organisms has the potential to open a wide range of applications in biomedical and communication technologies. However, this area remains almost unexplored. Herein, we report, as a proof of concept, a stimuli‐responsive interactive paradigm of communication between yeasts (as a model microorganism) and enzyme‐controlled Janus Au–mesoporous silica nanoparticles. In the presence of the stimulus, the information flows from the microorganism to the nanodevice, and then returns from the nanodevice to the microorganism as a feedback.
Kinetic Control of Aggregation Shape in Micellar Self‐Assembly
Authors: Buckinx Axel‐Laurenz , Verstraete Kirsten , Baeten Evelien , Tabor Rico F. , Sokolova Anna , Zaquen Neomy , Junkers Tanja
Published: August 2019

The first steps towards top‐down morphology control in micellar self‐assembly are introduced. Kinetically stable micelles are formed from block copolymers (BCPs) using continuous flow techniques by turbulent mixing of water with a THF solution of polymers. In this way, particle shape and size can be altered from spheres to ellipsoids solely via tuning of mixing parameters from a single BCP.
Regio‐ and Stereoselective Synthesis of Fully Substituted Silyl Enol Ethers of Ketones and Aldehydes in Acyclic Systems
Authors: Wang Peter‐Yong , Duret Guillaume , Marek Ilan
Published: August 2019

The regio‐ and stereoselective preparation of fully substituted and stereodefined silyl enol ethers of ketones and aldehydes through an allyl‐Brook rearrangement is reported. This fast and efficient method proceeds from a mixture of E and Z isomers of easily accessible starting materials.
Optimizing electronic structure and charge transport of sulfur/potassium co‐doped graphitic carbon nitride with efficient photocatalytic hydrogen evolution performance
Authors: Bi Jingce , Zhu Lin , Wu Junbiao , Xu Yan , Wang Zhuopeng , Zhang Xia , Han Yide
Published: August 2019

Recently, graphitic carbon nitride (CN) has been widely investigated for solar energy conversion through water splitting, but its low photocatalytic activity needs to be further improved and optimized. Herein, S/K co‐doped CN photocatalysts have been fabricated by condensation of thiourea and dithiooxamide followed by post‐treatment in molten salt. As evidenced by XRD patterns and UV–vis DRS plots, the engineering crystalline and electronic structure of all as‐prepared samples have been explored through tailoring the mass ratio of thiourea and dithiooxamide as well as ratio of molten salt/the precursor. After optimization, the as‐prepared S/K co‐doped CN photocatalysts with needle‐like nanorods structure exhibit excellent hydrogen evolution rate of 1962.10 μmol−1 g−1 h−1. While its photocatalytic activity is lower than that of pure CN by molten salt treatment (K‐doped CN) (2066.40 μmol−1 g−1 h−1), which results from that the K content of S/K co‐doped CN photocatalyst is lower than that of K‐doped CN. Moreover, compared with K‐doped CN, S/K co‐doped CN photocatalyst possesses higher photocatalytic performance when irradiated by a light source (λ > 520 nm). This might be ascribed to the fact that the introduction of sulfur can expand light absorption region (λ > 520 nm), whereas K cannot improve light absorption of CN in this wavelength region. Furthermore, DFT calculation reveals that both S and K atoms can offer more electrons to band gap, leading to the formation of metallic‐character band structure. In addition, K atom can intercalate in the interlayer of CN and bridge the adjacent two layers, leading to the formation of charge delivery channels. These results demonstrate that S/K co‐doped CN photocatalysts facilitate the separation and transport of photogenerated charge carries, resulting in the efficient photocatalytic activity for hydrogen evolution. Besides, a competition between sulfur and potassium atom during the synthesis process is also discussed in details.
A metal–organic gel‐based fluorescent chemosensor for selective Al3+ detection
Authors: Gu Dongxu , Yang Weiting , Wang Fuxiang , Li Meiling , Liu Lijuan , Li Huihui , Pan Qinhe
Published: August 2019

As an important metal element, aluminium has a significant impact on the environment and human health, and thus the detection of Al3+ has become the subject of much research. We synthesized a Ni(II)‐based metal–organic gel (Ni‐MOG), which can serve as an Al3+ fluorescence sensor with high selectivity and sensitivity, the limit of detection being calculated to be 0.5 μM. In addition, a composite film was further fabricated by hybridization of this Ni‐MOG with poly(vinyl alcohol). The composite film produced a rapid fluorescence response to Al3+ solutions at concentrations above 5 × 10−5 M in 5 min. The Ni‐MOG composite film can also be successfully applied for the sensitive detection of Al3+ in real samples of tap water and seawater. The effective detection of Al3+ described in this contribution provides a new insight into water quality monitoring and has promising application value.
Preparation of high‐performance epoxy‐containing silicone rubber via hydrosilylation reaction
Authors: Wang Yuan , Zhang Bin , Zhou Shengtai , Chen Yang , Liang Mei , Zou Huawei
Published: August 2019

A novel epoxy‐containing silicone rubber network was constructed by hydrosilylation reaction among the synthesized vinyl‐containing epoxy resin prepolymers, vinyl terminated silicone oil and hydrogen‐containing silicone oil. The structure of the vinyl‐containing epoxy resin prepolymers was characterized by Fourier transform infrared spectroscopy and 1H nuclear magnetic resonance spectroscopy. Morphology observations revealed that uniform “sea‐island” phase separation structure was present in modified silicone rubbers. The compatibility between silicone rubber and epoxy resin was enhanced, thanks to the good dispersion of vinyl‐containing epoxy prepolymers in silicone rubber matrix. The adhesion and tensile properties of modified silicone rubbers were greatly enhanced when compared with those of unmodified counterparts. The thermal degradation behavior of cured silicone rubbers was studied using thermogravimetric analysis and thermogravimetric/infrared spectrometry analysis. Results showed that the formation of epoxy‐containing silicone rubber network altered the degradation process of silicone rubber, thereby yielding a higher residue at 800 °C under nitrogen atmosphere. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48397.
Parameter change test for location‐scale time series models with heteroscedasticity based on bootstrap
Authors: Oh Haejune , Lee Sangyeol
Published: August 2019

This study considers the bootstrap cumulative sum (CUSUM) test for a parameter change in location‐scale time series models with heteroscedasticity. The CUSUM test has been popular for detecting an abrupt change in time series models because it performs well in many applications. However, it has severe size distortions in many situations. As a remedy, we consider the bootstrap CUSUM test, particularly focusing on the CUSUM test based on score vectors, and demonstrate the weak consistency of the bootstrap test for its justification. A simulation study and data analysis are conducted for illustration.
Crossover Interference, Crossover Maturation, and Human Aneuploidy
Authors: Wang Shunxin , Liu Yanlei , Shang Yongliang , Zhai Binyuan , Yang Xiao , Kleckner Nancy , Zhang Liangran
Published: August 2019

A striking feature of human female sexual reproduction is the high level of gametes that exhibit an aberrant number of chromosomes (aneuploidy). A high baseline observed in women of prime reproductive age is followed by a dramatic increase in older women. Proper chromosome segregation requires one or more DNA crossovers (COs) between homologous maternal and paternal chromosomes, in combination with cohesion between sister chromatid arms. In human females, CO designations occur normally, according to the dictates of CO interference, giving early CO‐fated intermediates. However, ≈25% of these intermediates fail to mature to final CO products. This effect explains the high baseline of aneuploidy and is predicted to synergize with age‐dependent cohesion loss to explain the maternal age effect. Here, modern advances in the understanding of crossing over and CO interference are reviewed, the implications of human female CO maturation inefficiency are further discussed, and areas of interest for future studies are suggested.
Outcomes of surgery for benign and malignant adrenal disease from the British Association of Endocrine and Thyroid Surgeons' national registry
Authors: Patel N , Egan R J , Carter B R , Scott-Coombes D M , Stechman M J , Afzaal A , Akhtar I , Akyol M , Anderson I , Aspinall S , Balasubramanian S , Banga N , Bliss R , Brindle R , Carpenter R , Cave-Bigley D , Chadwick D , Collins R , Craig W , Cvasciuc T , Doran H , Dunn J , Eatock F , El-Saify W , Evans A , Fraser S , Galata G , Greaney M G , Guy A , Hardy R , Harrison B , Houghton A , Hubbard A , Jeddy T , Kirkby-Bott J , Krukowski Z , Kurup V , Kurzawinski T , Lansdown M , Lennard T M J , Lim B , Maddox P , Mihai R , Nicholson M , Palazzo F , Parrott N , Parvanta L , Rew D , Sadler G , Schulte K M , Sharma A , Shore S , Sinha P , Skene A , Smellie J , Smith D , Sutcliffe R , Thomas M , Thomas P , Thomas W E G , Titus A , Tomlinson M , Truran P , Ubhi C , Uppal H , Waghorn A , Walls G , Williams S , Zammitt C
Published: August 2019

Background

This study investigated the indications, procedures and outcomes for adrenal surgery from the UK Registry of Endocrine and Thyroid Surgery database from 2005 to 2017, and compared outcomes between benign and malignant disease.

Methods

Data on adrenalectomies were extracted from a national surgeon-reported registry. Preoperative diagnosis, surgical technique, length of hospital stay, morbidity and in-hospital mortality were examined.

Results

Some 3994 adrenalectomies were registered among patients with a median age of 54 (i.q.r. 43–65) years (55·9 per cent female). Surgery was performed for benign disease in 81·5 per cent. Tumour size was significantly greater in malignant disease: 60 (i.q.r. 34–100) versus 40 (24–55) mm (P < 0·001). A minimally invasive approach was employed in 90·2 per cent of operations for benign disease and 48·2 per cent for cancer (P < 0·001). The conversion rate was 3·5-fold higher in malignant disease (17·3 versus 4·7 per cent; P < 0·001). The length of hospital stay was 3 (i.q.r. 2–5) days for benign disease and 5 (3–8) days for malignant disease (P < 0·050). In multivariable analysis, risk factors for morbidity were malignant disease (odds ratio (OR) 1·69, 1·22 to 2·36; P = 0·002), tumour size larger than 60 mm (OR 1·43, 1·04 to 1·98; P = 0·028) and conversion to open surgery (OR 3·48, 2·16 to 5·61; P < 0·001). The in-hospital mortality rate was below 0·5 per cent overall, but significantly higher in the setting of malignant disease (1·2 versus 0·2 per cent; P < 0·001). Malignant disease (OR 4·88, 1·17 to 20·34; P = 0·029) and tumour size (OR 7·47, 1·52 to 39·61; P = 0·014) were independently associated with mortality in multivariable analysis.

Conclusion

Adrenalectomy is a safe procedure but the higher incidence of open surgery for malignant disease appears to influence postoperative outcomes.
Sulfur‐Containing Bent N‐Heteroacenes
Authors: Ding Fangwei , Xia Debin , Sun Weipeng , Chen Wei , Yang Yulin , Lin Kaifeng , Zhang Feibao , Guo Xugang
Published: August 2019

A series of novel sulfur‐containing bent N‐heteroacenes were constructed and characterized by NMR and UV/Vis spectroscopy, cyclic voltammetry, and single‐crystal X‐ray diffraction. By introducing sulfur‐containing groups (thio, sulfinyl, and sulfonyl) into bent azaacenes, their electronic delocalization was improved and frontier energy levels were modulated. The target products displayed tunable optical and electronic properties through altering the valence of sulfur and fused length of the azaacenes. For the first time, typical products were utilized as organic field effect transistor materials, affording promising results.
The Hunt for the Closed Conformation of the Fruit‐Ripening Enzyme 1‐Aminocyclopropane‐1‐carboxylic Oxidase: A Combined Electron Paramagnetic Resonance and Molecular Dynamics Study
Authors: Fournier Eugénie , Tachon Sybille , Fowler Nicholas J. , Gerbaud Guillaume , Mansuelle Pascal , Dorlet Pierre , de Visser Sam P. , Belle Valérie , Simaan A. Jalila , Martinho Marlène
Published: August 2019

1‐Aminocyclopropane‐1‐carboxylic oxidase (ACCO) is a non‐heme iron(II)‐containing enzyme involved in the biosynthesis of the phytohormone ethylene, which regulates fruit ripening and flowering in plants. The active conformation of ACCO, and in particular that of the C‐terminal part, remains unclear and open and closed conformations have been proposed. In this work, a combined experimental and computational study to understand the conformation and dynamics of the C‐terminal part is reported. Site‐directed spin‐labeling coupled to electron paramagnetic resonance (SDSL‐EPR) spectroscopy was used. Mutagenesis experiments were performed to generate active enzymes bearing two paramagnetic labels (nitroxide radicals) anchored on cysteine residues, one in the main core and one in the C‐terminal part. Inter‐spin distance distributions were measured by pulsed EPR spectroscopy and compared with the results of molecular dynamics simulations. The results reveal the existence of a flexibility of the C‐terminal part. This flexibility generates several conformations of the C‐terminal part of ACCO that correspond neither to the existing crystal structures nor to the modelled structures. This highly dynamic region of ACCO raises questions on its exact function during enzymatic activity.
Promoting environmental performance through green human resource management practices in higher education institutions: A moderated mediation model
Authors: Gilal Faheem Gul , Ashraf Zubaida , Gilal Naeem Gul , Gilal Rukhsana Gul , Channa Nisar Ahmed
Published: August 2019

Using two theoretical lenses—organizational citizenship behavior for the environment (OCBE) and supplies‐values fit theory (SVFT)—the present study examines the influence of green human resource management (HRM) practices on environmental performance using data from higher education institutions. To this end, our research uses survey data from n = 214 employees to test the moderated mediation hypotheses. The study finds that green HRM practices positively enhance environmental performance via employees' environmental passion. Our study further reveals that the effect of green HRM practices on environmental passion is more important when an employee is high on green values than when s/he is low. The current study provides new theoretical insights into environmental management literature by linking green HRM practices to environmental performance. Our findings provide managers with guidance regarding how and when green HRM practices are more likely to lead to enhanced environmental performance.
Differential evolution CapsNet model for QoS routing enhancement in wireless networks
Authors: Chandrasekaran Kumar , Selvaraj Tamizharasi
Published: August 2019

One of the nondeterministic polynomial (NP) hard problem in the area of wireless networks is the quality of service (QoS) routing problem. This has always been a key area wherein research is required to enhance the QoS metrics considered with respect to the considered network model. In this paper, mobile ad hoc network (MANET) model is identified for which an effective QoS routing protocol which meets the set QoS constraints is designed employing the novel variant of differential evolution (DE) model. The ultimate aim of the proposed work is to identify an optimal feasible path for the MANET model with the set objective function criterion being met. A variant of DE capsule net model is built by hybridizing it with the nature‐inspired firefly (FF) algorithmic approach. The effectiveness of the proposed technique is achieved by minimizing the set objective function on satisfying the QoS constraints in the MANETs. The developed technique chose better QoS path with respect to the best fitness value than that of the route replay the shortest path algorithm of ad hoc on‐demand distance vector (AODV) protocol. The modeled variant DE‐FF model achieves better QoS metrics with all the set constrained being met. Simulated results depict the superiority and better performance of the developed DE‐FF model than that of the other methods considered for comparison from the existing literature works.
Toxicokinetics and analytical toxicology of the abused opioid U‐48800 — in vitro metabolism, metabolic stability, isozyme mapping, and plasma protein binding
Authors: Gampfer Tanja M. , Richter Lilian H.J. , Schäper Jan , Wagmann Lea , Meyer Markus R.
Published: August 2019

Due to the risk of new synthetic opioids (NSOs) for human health, the knowledge of their toxicokinetic characteristics is important for clinical and forensic toxicology. U‐48800 is an NSO structurally non‐related to classical opioids such as morphine or fentanyl and offered for abuse. As toxicokinetic data of U‐48800 is not currently available, the aims of this study were to identify the in vitro metabolites of U‐48800 in pooled human liver S9 fraction (pS9), to map the isozymes involved in the initial metabolic steps, and to determine further toxicokinetic data such as metabolic stability, including the in vitro half‐life (t1/2), and the intrinsic (CLint) and hepatic clearance (CLh). Furthermore, drug detectability studies in rat urine should be done using hyphenated mass spectrometry. In total, 13 phase I metabolites and one phase II metabolite were identified. N‐Dealkylation, hydroxylation, and their combinations were the predominant metabolic reactions. The isozymes CYP2C19 and CYP3A4 were mainly involved in these initial steps. CYP2C19 poor metabolizers may suffer from an increased U‐48800 toxicity. The in vitro t1/2 and CLint could be rated as moderate, compared to structural related compounds. After administration of an assumed consumer dose to rats, the unchanged parent compound was found only in very low abundance but three metabolites were detected additionally. Due to species differences, metabolites found in rats might be different from those in humans. However, phase I metabolites found in rat urine, the parent compound, and additionally the N‐demethyl metabolite should be used as main targets in toxicological urine screening approaches.
An individual‐based model of seed‐ and rhizome‐propagated perennial plant species and sustainable management of Sorghum halepense in soybean production systems in Argentina
Authors: Liu Chun , Scursoni Julio A. , Moreno Raúl , Zelaya Ian A. , Muñoz María Sol , Kaundun Shiv S.
Published: August 2019

Perennial plants which propagate through both seeds and rhizomes are common in agricultural and nonagricultural systems. Due to their multifaceted life cycle, few population models are available for studying such species. We constructed a novel individual‐based model to examine the effects of ecological, evolutionary, and anthropogenic factors on the population dynamics of perennial species. To exemplify the application of the model, we presented a case study of an important weed, Sorghum halepense (L.) Pers. (Johnsongrass), in soybean productions in Argentina. The model encompasses a full perennial weed life cycle with both sexual (seeds) and asexual (rhizomes) propagations. The evolution of herbicide resistance was modeled based on either single genes or quantitative effects. Field experiments were conducted in the species' native environment in Argentina to parameterize the model. Simulation results showed that resistance conferred by single‐gene mutations was predominantly affected by the initial frequency of resistance alleles and the associated fitness cost. Population dynamics were influenced by evolved resistance, soil tillage, and rhizome fecundity. Despite the pivotal role of rhizomes in driving the population dynamics of Johnsongrass, most herbicides target the aboveground biomass, and chemical solutions to control rhizomes are still very limited. To maintain effective (short‐term) and sustainable (long‐term) weed management, it is recommended to combine soil tillage with herbicide applications for suppressing the rhizomes and delaying the evolution of resistance. This novel model of seed‐ and rhizome‐propagated plants will also be a useful tool for studying the evolutionary processes of other perennial weeds, cash crops, and invasive species.
Benzyl C–O and C–N Bond Construction via C–C Bond Dissociation of Oxime Ester under Visible Light Irradiation
Authors: Fan Xiuwei , Lei Tao , Liu Zan , Yang Xiu‐Long , Cheng Yuan‐Yuan , Liang Ge , Chen Bin , Tung Chen‐Ho , Wu Li‐Zhu
Published: August 2019

A photoredox benzyl activation was developed via formidable C(sp3)–C(sp3) bond dissociation of 1‐aryl acetone oxime esters, which were easily prepared from benzyl ketones. Further coupling with O‐ and N‐ nucleophiles successfully forged important benzyl ether and amines derivatives in one pot. In this process, different substitutions on oxime esters were found compatible and various primary and secondary alcohols and amines, as well as amides showed good performance as nucleophiles. Mechanistic studies by control experiments, electrochemical measurements and in‐situ NMR spectra proposed a N–O bond interruption/C–C bond fragmentation/oxidation sequence to provide the key cation intermediate for the next electrophilic SN process. The features of mild condition, short reaction time and broad substrate scope made this new strategy much promising in the transformation of benzyl compounds, which might be valuable in last‐stage functionalizations.
Strong rotating flow in stationary droplets in low power budget using wire electrode configuration
Authors: Kunti Golak , Bhattacharya Anandaroop , Chakraborty Suman
Published: August 2019

We explore a simple strategy of generating strong rotating flow in a stationary surface‐droplet, using an intricate interplay of local electrical and thermal fields. Wire electrodes are employed to generate on‐spot heating without necessitating any elaborate micro‐fabrication, which causes strong local gradients in electrical properties to induce mobile charges into the droplet. Applying a low voltage (∼10 V), strong rotational velocity of the order of mm/s can be achieved in the system, within the standard operating ranges of operating and geometrical parameters. Further, altering the diameter of the electrode, vortices can be tuned locally or globally in low power budget, without incurring any droplet oscillations. These results may turn out to be of immense consequence in enhancing micromixing in a plethora of droplet based applications ranging from thermal management to medical diagnostics to be potentially employed in resource‐limited settings.
Progress in SolidOxide Technologies: From Fundamentals to Systems – EFCF2018
Authors: Ivers‐Tiffée Ellen , Weber André , Bucheli Olivier
Published: August 2019

No abstract.
A graphene rheostat for highly durable and stretchable strain sensor
Authors: Ren Jing , Zhang Wenjun , Wang Yubo , Wang Yaxiong , Zhou Jun , Dai Liming , Xu Ming
Published: August 2019

Strain sensors for human health monitoring are of paramount importance in wearable medical diagnostics and personal health monitoring. Despite extensive studies, strain sensors with both high durability and stretchability are still desired, particularly with the stability for different environmental conditions. Here, we report a series of strain sensors possessing the graphene network with a high density of intermittent physical interconnections, which produces the relative resistance change by varying the overlap area between the neighboring graphene sheets under stretching and releasing, analogous to the slide rheostat working in electronics. Our in‐situ transmission electron microscope observation reveals the full recoverability of the structure from large deformation upon unloading for ensuring the exceptional cycle stability of our material on monitoring full‐range body movements. The stable response is also demonstrated over wide temperature range and frequency range, because the peculiar dynamic structure can be maintained through the self‐adjustment to the thermal expansion of the bulk material. Based on the working mechanism of graphene “slide rheostat,” the sensing properties of the strain sensor are tailored by tuning the graphene network structure with different mass densities using different concentrations of graphene oxide dispersion, while the stretchability and sensitivity can be separately optimized for different application requirements.
Development of magnesium implants by application of conjoint‐based quality function deployment
Authors: Siefen Sarah , Höck Michael
Published: August 2019

Biodegradable magnesium‐based implants are the subject of a great deal of research for different orthopedic and vascular applications. The targeted design and properties depend on the specific medical function and location in the body. Development of the biomaterial requires a comprehensive understanding of the biological interaction between the implant and the host tissue, as well as of the behavior in the physiological environment in vivo. Research into and the development of innovative magnesium implants entails interdisciplinary research efforts and communication between materials science, bioscience, and medical experts. The present study provides a transparent planning and communication tool for market‐oriented implant development processes. The objective was to identify medical needs at an early stage of the development process and to quantify the importance of the engineering characteristics of different research fields that cater to specific implant requirements. The method is demonstrated by the performance of a survey‐based conjoint analysis, which was integrated into a quality function deployment approach. Twenty‐seven medical professionals and 29 biomaterial scientists assessed the importance of identified medical requirements, whereby the control of mechanical integrity and degradation along with nontoxicity and nonimmunogenicity showed the highest number of preferences. The evaluation of implant options by 31 experts indicated that the engineering characteristic with the highest importance was the condition and sterilization of the surface. These values can be used to set priorities in strategic decisions. Research trials can be aligned to medical preferences, ensuring high product quality and an effective development process. This is the first paper to report on the application of conjoint‐based quality function deployment in biomaterial research.
Performance characteristics of the PowerFlow apheresis port: Early experience
Authors: Garrity Danielle , Graves Molly , Linden Jeanne , St. Pierre Patricia , Ducharme Paula , Zhao Yong , Greene Mindy , Vauthrin Michelle , Weinstein Robert
Published: August 2019

We prospectively evaluated the Bard PowerFlow Implantable Apheresis IV Port in four patients undergoing outpatient therapeutic plasma exchange over 18 to 97 days. Three had bilateral internal jugular access ports, and one had a single left internal jugular access port for the inlet line with return via antecubital vein. Two patients receiving 5% albumin as replacement fluid achieved peak inlet flow of 99 ± 5 mL/min and 101 ± 6 mL/min, and peak plasma flow of 53 ± 6 and 47 ± 6 mL/min, respectively. Two patients receiving plasma as replacement fluid achieved peak inlet flow of 46 ± 7 and 85 ± 4 mL/min and peak plasma flow of 27 ± 3 and 35 ± 4 mL/min, respectively. Apheresis nurses accessed the ports on the first attempt in all procedures. Pressure alarms occurred in 6 of 47 procedures and were easily resolved by lowering the inlet rate by 10% in 5 of them. The PowerFlow shows promise as an implantable venous access device for apheresis.
GalaxyDock3: Protein–ligand docking that considers the full ligand conformational flexibility
Authors: Yang Jinsol , Baek Minkyung , Seok Chaok
Published: August 2019

Predicting conformational changes of both the protein and the ligand is a major challenge when a protein–ligand complex structure is predicted from the unbound protein and ligand structures. Herein, we introduce a new protein–ligand docking program called GalaxyDock3 that considers the full ligand conformational flexibility by explicitly sampling the ligand ring conformation and allowing the relaxation of the full ligand degrees of freedom, including bond angles and lengths. This method is based on the previous version (GalaxyDock2) which performs the global optimization of a designed score function. Ligand ring conformation is sampled from a ring conformation library constructed from structure databases. The GalaxyDock3 score function was trained with an additional bonded energy term for the ligand on a large set of complex structures. The performance of GalaxyDock3 was improved compared to GalaxyDock2 when predicted ligand conformation was used as the input for docking, especially when the input ligand conformation differs significantly from the crystal conformation. GalaxyDock3 also compared favorably with other available docking programs on two benchmark tests that contained diverse ligand rings. The program is freely available at http://galaxy.seoklab.org/softwares/galaxydock.html. © 2019 Wiley Periodicals, Inc.
Transformation of organic sulfur and its functional groups in nantong and laigang coal under microwave irradiation
Authors: Wu Yue , Zhang Shengfu , Cai Shuangshuang , Xiao Xiong , Yin Cheng , Xu Jian , Qiu Shuxing , Yu Wenzhou , Hu Meilong , Wen Liangying
Published: August 2019

The microwave irradiation experiment of Nantong coal (NTC) and Laigang coal (LGC) has been carried out in a microwave oven and the transformation of organic sulfur and its functional groups was investigated via compact sulfur tester and Fourier transform infrared spectra. The dielectric properties of coal sample are also measured by an Agilent N5244A network analyzer. The result shows that a certain amount of organic sulfur in both NTC and LGC is transformed into iron sulfide, sulfate, and sulfur‐containing gas after irradiation of microwave. The retention proportion of the three typical sulfur‐containing functional groups in coal is ranking as: disulfide bond (S—S) > sulfinyl (SO) > sulfydryl (—SH), and such phenomenon has been explained by the first principle calculation based on the density functional theory. The calculation results of Fukui indices, electrostatic potential, and frontier orbital analysis indicate the reactivity of the SO and SS is lower than that of the —SH. The calculated bond dissociation enthalpies and bond dissociation times indicate the chemical bonds of —SH and S—S need more time to rupture than SO when microwave power is 1000 W. © 2019 Wiley Periodicals, Inc.
“I think you did it!”: Examining the effect of presuming guilt on the verbal output of innocent suspects during brief interviews
Authors: Portnoy Shiri , Hope Lorraine , Vrij Aldert , Granhag Pär‐Anders , Ask Karl , Eddy Carly , Landström Sara
Published: August 2019

Innocent suspects interviewed by a guilt‐presumptive versus innocence‐presumptive or neutral interviewer may tend more to display non‐verbal behaviours which neutral judges consider indicative of guilt. We examined the effects of interviewer's presumption of guilt on innocent mock suspects' alibis. Participants (N = 90) provided an alibi to convince an interviewer of their innocence of a theft after she implied that she believed that they were guilty or innocent or that she had no belief about their veracity. On the basis of existing conflicting findings for suspects' verbal behaviour during accusatory interviews, we predicted that alibis in the guilt‐belief condition would contain the highest or lowest number of correct details with overall higher or poorer accuracy rates, respectively. Although participants perceived the interviewer's presumptive approach, the number of correct details provided and accuracy rates of alibis did not differ significantly between conditions. We propose explanations to these findings and future research paths.
Hybrid Educational Leadership Preparation: Enhancing Flexibility and Engagement with Technology
Authors: Torres Chris , Gilzene Alounso
Published: August 2019

The current article describes the potential advantages and challenges to a novel hybrid approach, which combines a fully online section with an in‐person class. First, the format afforded greater flexibility for students who are teaching or leading on a full‐time basis, some of whom need to drive long distances if they wish to attend our leadership program. Second, the format has the potential to create meaningful interaction between students in different teaching and learning contexts (e.g., suburban/urban/rural) and thus exposure to different contexts, experiences, and points of view. Third, instructors can experiment with new technological strategies to have in‐person students interact with online students around the same content in classroom activities. We conclude by pointing out that pilot approaches such as these must iteratively seek and respond to student feedback to optimize the chances of being successful.
Innervation patterns of mystacial vibrissae support active touch behaviors in California sea lions (Zalophus californianus)
Authors: Sprowls Caitlin D. , Marshall Christopher D.
Published: August 2019

Vibrissae or follicle‐sinus complexes (F‐SCs) are highly developed mammalian sensory structures. These blood‐filled sinuses are richly innervated and possess novel mechanoreceptors. Although much is known regarding the function of F‐SCs in terrestrial mammals, much less is known regarding marine carnivores such as pinnipeds. Pinnipeds possess the largest, most highly innervated vibrissae of any mammal. One such pinniped is the California sea lion, which are generalist marine predators that rely heavily upon tactile discrimination capabilities. Psychophysical studies demonstrate that haptic tactile discrimination using F‐SCs is exceptionally sensitive. However, our knowledge of the structure and function of F‐SCs in otariids is limited. Our objectives were to investigate the innervation and microstructure of F‐SCs across the mystacial vibrissal field and infer function from haptic performance studies in California sea lions. Innervation and microstructure of vibrissae differed considerably compared to similar data available for phocids. Total innervation of mystacial vibrissae was estimated to be 86,042 axons. Investigations of innervation density and investment of microvibrissae versus macrovibrissae demonstrated a significantly increased axon density per F‐SC in medial microvibrissal regions compared to lateral macrovibrissae, which supports psychophysical data and somatotopic organization of the central nervous system involved with tactile discrimination capability. Innervation increased from medial microvibrissae (705 ± 125 axons/F‐SC) to lateral macrovibrissae (1,447 ± 154) as well as from dorsal (541 ± 60) to ventral (1,493 ± 327) vibrissal regions. These data provide a more complete picture of the sensory ecology of this important aquatic mammalian lineage; the specialization of peripheral sensory structures, central nervous structures with demonstrated enhanced haptic capabilities behaviorally has likely led to the ecological success of California sea lions.
Reliability of 3D texture analysis: A multicenter MRI study of the brain
Authors: Ta Daniel , Khan Muhammad , Ishaque Abdullah , Seres Peter , Eurich Dean , Yang Yee‐Hong , Kalra Sanjay
Published: August 2019

Background

Texture analysis (TA) is an image‐analysis technique that detects complex intervoxel statistical patterns. 3D TA has shown potential in detecting cerebral degeneration not perceptible to the human eye in many neurological disorders. The reliability of this method's application in a multicenter study is unknown.

Purpose

To assess the intrasite and intersite reliability of a novel 3D TA method from data acquired systematically from the Canadian ALS Neuroimaging Consortium (CALSNIC).

Study Type

Prospective multicenter data with harmonized MR sequence parameters acquired from five sites.

Population

Six healthy subjects.

Field Strength

3T 3D‐MPRAGE and 3D‐SPGR T1‐weighted MRI of the brain.

Assessment

Voxel‐based 3D TA was performed on the whole brain to produce texture maps.

Statistical Tests

Intra‐ and intersite reliability of texture features was assessed using a two‐way mixed‐effects model for intraclass correlation coefficients (ICC). ICCs were calculated in a region‐of‐interest (ROI) analysis of predetermined anatomically relevant areas. A voxelwise approach was used to assess the whole brain.

Results

In the ROI analyses, intrasite reliability was excellent (ICC > 0.75) across most regions and texture features (autocorrelation [autoc], contrast [contr], energy [energ]). Intersite reliability was excellent for most regions with autoc, ranging from fair to excellent for contr, and ICCs ranging from poor to good (<0.40–0.75) for energ. Voxelwise analyses revealed a large range in ICC across the brain for both intrasite and intersite ICCs (0.0–0.90), with higher reliability in the cortical gray matter compared with deeper subcortical structures.

Data Conclusion

Overall, the reliability of 3D TA was highly dependent on texture feature, region studied, and method of analysis (ROI or voxelwise). Intrasite reproducibility was good to excellent, and better than intersite. ROI‐based analyses present higher reliability in comparison with voxelwise analyses. Autoc has overall excellent reliability. These factors might be considered when designing future 3D TA studies.

Level of Evidence: 2

Technical Efficacy: Stage 1

J. Magn. Reson. Imaging 2020;51:1200–1209.
Formation and hydrolysis of gas‐phase [UO2(R)]+: R═CH3, CH2CH3, CH═CH2, and C6H5
Authors: Tatosian Irena , Bubas Amanda , Iacovino Anna , Kline Susan , Metzler Luke , Van Stipdonk Michael
Published: August 2019

The goals of the present study were (a) to create positively charged organo‐uranyl complexes with general formula [UO2(R)]+ (eg, R═CH3 and CH2CH3) by decarboxylation of [UO2(O2C─R)]+ precursors and (b) to identify the pathways by which the complexes, if formed, dissociate by collisional activation or otherwise react when exposed to gas‐phase H2O. Collision‐induced dissociation (CID) of both [UO2(O2C─CH3)]+ and [UO2(O2C─CH2CH3)]+ causes H+ transfer and elimination of a ketene to leave [UO2(OH)]+. However, CID of the alkoxides [UO2(OCH2CH3)]+ and [UO2(OCH2CH2CH3)]+ produced [UO2(CH3)]+ and [UO2(CH2CH3)]+, respectively. Isolation of [UO2(CH3)]+ and [UO2(CH2CH3)]+ for reaction with H2O caused formation of [UO2(H2O)]+ by elimination of ·CH3 and ·CH2CH3: Hydrolysis was not observed. CID of the acrylate and benzoate versions of the complexes, [UO2(O2C─CH═CH2)]+ and [UO2(O2C─C6H5)]+, caused decarboxylation to leave [UO2(CH═CH2)]+ and [UO2(C6H5)]+, respectively. These organometallic species do react with H2O to produce [UO2(OH)]+, and loss of the respective radicals to leave [UO2(H2O)]+ was not detected. Density functional theory calculations suggest that formation of [UO2(OH)]+, rather than the hydrated UVO2+, cation is energetically favored regardless of the precursor ion. However, for the [UO2(CH3)]+ and [UO2(CH2CH3)]+ precursors, the transition state energy for proton transfer to generate [UO2(OH)]+ and the associated neutral alkanes is higher than the path involving direct elimination of the organic neutral to form [UO2(H2O)]+. The situation is reversed for the [UO2(CH═CH2)]+ and [UO2(C6H5)]+ precursors: The transition state for proton transfer is lower than the energy required for creation of [UO2(H2O)]+ by elimination of CH═CH2 or C6H5 radical.
Modeling and simulation of vessel in SAR image using oceanographic measured data and shipbuilding drawings
Authors: Liu Peng , Chen Peng
Published: August 2019

Application of computational electromagnetic algorithms for simulating synthetic aperture radar (SAR) imagery of vessels has been researched for many years, but it is rare when a complete data set of oceanographic measurements and shipbuilding drawings is used and compared with the real‐time SAR image. In January 2016, an experiment to investigate SAR imaging of vessels was conducted in the East China Sea. Data acquired are used in this paper to test simulation algorithms of moving ship, dynamic ocean wave, and SAR imaging. Reasonable agreement is obtained when comparisons are made between the simulated and real SAR images.