bluuebunny/crossref_metadata_2025 huggingface dataset:
Hired Latinx child farm labor in North Carolina: The demand‐support‐control model applied to a vulnerable worker population
Authors: Quandt Sara A. , Arnold Taylor J. , Mora Dana C. , Sandberg Joanne C. , Daniel Stephanie S. , Arcury Thomas A.
Published: August 2019

Background

US government child labor policies allow children as young as age 10 to be hired as workers on farms not operated by family members. Children may face substantial health risks in an industry known for high worker morbidity and mortality rates, due to high demands for productivity, and low control and little support because of the organization of the workplace. This paper examines how child farmworkers in North Carolina experience their work situation.

Methods

In‐depth interviews conducted in 2016 with 30 Latinx child farmworkers, ages 10 to 17, were analyzed using concepts from the demand‐control‐support model. All had worked as either migrant or seasonal hired farmworkers within the past year.

Results

Children reported planting, cultivating, and harvesting crops including fruits, vegetables, and tobacco. The crew leader supervisory system, piece‐rate pay, and coworker pressure produced significant demands to work quickly and take risks including lifting heavy loads, operating mechanical equipment, and working in excessive heat. Children had little control over work to counter demands they experienced; and they labored in a state of fear of firing, wage theft, and other sanctions. Support was variable, with younger children more likely to experience family and coworker support than older children.

Conclusions

The high demands with limited control and, for some, little support, that these children experience place them at risk and show the possibility of injury and exploitation. Future research should systematically document the occupational injury and illness of hired child farmworkers, and consider whether changes in labor policy are warranted.
Diet of the Indochinese silvered langur (Trachypithecus germaini) in Kien Luong Karst area, Kien Giang Province
Authors: Le Hong Thia , Hoang Duc Minh , Covert Herbert H.
Published: August 2019

The Indochinese silvered langur (Trachypithecus germaini) is distributed to the west of Mekong River in Cambodia, Lao PDR, Thailand and Vietnam. During a two‐year study, from May 2014 to May 2016, we collected 320.44 hr of behavior, with 17,040 feeding bouts recorded (142 hr) for T. germaini on Chua Hang Karst Mountain, Kien Luong District, Kien Giang Province, Vietnam. Feeding accounted for 45% of the Indochinese silvered langurs’ activity budget. The plant diet of the Indochinese silvered langurs was principally composed of young leaves (58%), followed by mature leaves (9.5%), fruits (22.7%), flowers (4.7%), buds (3.3%), petioles (1.2%), and other (0.5%). A total of 58 plant species were fed on by the silvered langurs, and leaves of eight species (Phyllathus reticulatus, Ficus rumphii, Ficus tinctoria, Ficus microcarpa, Cayratia trifolia, Streblus ilicifolia, Combretum latifolium, and Streblus asper) were fed on throughout the year. P. reticulatus was most frequently eaten (13.9% feeding time, n = 1,733). Food selection differed significantly between months and seasons. The Indochinese silvered langurs ate 27 plant species in the wet season compared with 23 plant species in the dry season. Leaf chemical composition of two food categories, 16 eaten species (with 10 most frequently consumed species and six least consumed species), and four noneaten species, were analyzed. Feeding samples from eaten species in the Indochinese silvered langurs's diet contained lower amounts of condensed tannin, lignin, protein, ash, and lipids, but a higher amount of total sugar compared with samples from noneaten species. Furthermore, the most frequently consumed species contained lower amounts of lignin compared with the less frequently consumed species. Using a generalized linear model with five variables, including neutral detergent fiber (NDF), total sugar, lignin, lipid, and calcium (Ca) indicated that NDF positively correlated and lignin content negatively correlated with feeding records in the diet of these langur.
Prehospital characteristics, incidence trends, and outcome of emergency self‐inflicted injury patients with gas substances: a population‐based descriptive study in Osaka, Japan
Authors: Katayama Yusuke , Matsuyama Tasuku , Kitamura Tetsuhisa , Hirose Tomoya , Kiguchi Takeyuki , Sado Junya , Kiyohara Kosuke , Takahashi Hiroki , Adachi Shingo , Noda Tomohiro , Izawa Junichi , Ohnishi Mitsuo , Shimazu Takeshi
Published: August 2019

Aim

Little is known about the detailed characteristics of patients using gas substances for self‐inflicted injury in prehospital settings. The aim of this study was to investigate the characteristics, incidence trends, and outcomes of patients who used gas substances for self‐inflicted injury in Osaka City, Japan, using ambulance records.

Methods

This was a retrospective observational study that used data from 2009 to 2015. We extracted details from ambulance records of self‐inflicted injury patients who used gas substances. The annual incidence of self‐inflicted injury by gas substance and age group and Poisson regression models were applied for calculating the annual incidence trend by type of gas substance. The main outcome was confirmed death at the scene, and we also calculated the crude odds ratios and 95% confidence intervals for each gas substance.

Results

During the study period, there were 324 self‐inflicted injury patients who used gas substances. The most commonly used gases were carbon monoxide (CO) (54.9%), followed by hydrogen sulfide (12.7%), helium (6.5%). The incidence of CO and hydrogen sulfide have subsequently decreased (P for trend = 0.023 and <0.001, respectively); however, the incidence of helium did not change during the study period (P for trend = 0.586). The mortality rate was highest in patients who used helium (66.7% [14/21]) and the crude odds ratio of helium was 3.857 (95% confidence interval, 1.267–11.745; P = 0.017) compared with hydrogen sulfide.

Conclusion

This study revealed that the incidence of self‐inflicted injury with helium did not change and its proportion of death at the scene was high in Osaka City.
The catalytic performance study of polymerized ionic liquid synthesized in different conditions on alkylation of o‐Xylene with styrene
Authors: Liu Yonghui , Gao Huaying , Sheng Xiaoli , Zhou Yuming , Wang Beibei , Sha Xiao , Jin Maolu , Zhao Jie , Liu Wenqi
Published: August 2019

In this work, a series of novel acidic polymerized ionic liquids were used as heterogeneous catalyst for alkylation of o‐Xylene with styrene. And the effect of the amount of initiator and the type of acid used for ion exchange on catalyst structure and the catalytic performance of catalysts for alkylation were studied thoroughly. The experiment results show: when the percentage of the amount of initiator in the total material is 3%, the polymerized ionic liquid catalyst MPM‐SO3H‐[C3V][SO3CF3] has the most uniform with a specific surface area of 97.30 m2/g and a pore volume of 0.35 cm3/g. Benefiting from the unique structure features, MPM‐SO3H‐[C3V][SO3CF3] manifested an excellent catalytic performance for alkylation of o‐Xylene with styrene, along with the conversion of styrene was 96.8% and the yield of 1‐Phenyl‐1‐ortho‐xylene ethane was 94.7%. Therefore, this work provides a novel reference to the synthesis of polymerized ionic liquids and clearly explains the advantage of novel acidic polymerized ionic liquids on alkylation.
Simultaneous Construction of C−Se And C−S Bonds via the Visible‐Light‐Mediated Multicomponent Cascade Reaction of Diselenides, Alkynes, and SO2
Authors: Chen Hui , Ding Rui , Tang Haitao , Pan Yingming , Xu Yanli , Chen Yanyan
Published: August 2019

A visible‐light mediated multicomponent cascade reaction of diselenides, alkynes, and sulfur dioxide was developed, in which multiple C−Se and C−S bonds were constructed, and unexpected β‐sulfonylvinylselane compounds were generated with high selectivity for E configuration. β‐Sulfonylvinylselane transformation into 1,4‐oxathiine‐4,4‐dioxide and sulfonylethyne derivates was then investigated. A plausible mechanism involving a selenium radical‐initiated cascade reaction and sulfur dioxide insertion was proposed.
Tetrasubstituted cyclopentenone‐based fluorescent chemosensors for the selective detection of Fe3+ and Cu2+ ions
Authors: Balachandran Aswathy L. , Deepthi Ani , Suneesh C.V.
Published: August 2019

Fluorescent chemosensors based on 4‐hydroxy cyclopentenones were synthesized by the base catalyzed reaction of 1,5‐diphenyl‐pentane‐1,3,5‐trione with benzil and thenil. The molecule obtained by the benzil reaction was found to be useful for the selective detection of Fe3+ by fluorescence turn‐off, while the molecule synthesized by the thenil reaction was useful for selective detection of Cu2+ by fluorescent turn‐on. Details of the synthesis, complexation mode, nature of binding, reversibility, and pH studies of the two sensors are discussed. The studies revealed that the sensors were suitable for determining Fe3+ and Cu2+ content in real water samples.
Burden of hospitalization in acute lymphoblastic leukemia patients treated with Inotuzumab Ozogamicin versus standard chemotherapy treatment
Authors: Marks David I. , van Oostrum Ilse , Mueller Sabrina , Welch Verna , Vandendries Erik , Loberiza Fausto R. , Böhme Sarah , Su Yun , Stelljes Matthias , Kantarjian Hagop M.
Published: August 2019

Background

Inotuzumab Ozogamicin (INO), has demonstrated an improvement in overall survival, high rate of complete remission, favorable patient‐reported outcomes, and manageable safety profile vs standard of care (SoC; intensive chemotherapy) for relapsed/refractory (R/R) acute lymphoblastic leukemia (ALL) in the phase 3 INO‐VATE trial. With a one‐hour weekly dosing schedule, INO might be associated with lower healthcare system burden. This study analyses hospitalizations for INO vs SoC.

Methods

All patients receiving study treatment in the INO‐VATE trial were included. The days hospitalized during study treatment was calculated. Due to different treatment durations for INO and SoC (median of 3 vs 1 cycles), number of hospital days was mainly reported per observed patient month. Hospital days per patient month were analyzed for different treatment cycles, subgroups, and main reasons for hospitalization. Differences between treatments were analyzed by the incidence rate ratio (IRR).

Results

Overall, 82.9% and 94.4% INO and SoC patients experienced at least one hospitalization. The mean hospitalization days per patient month was 7.6 and 18.4 days for INO and SoC (IRR = 0.413, P < .001), which corresponds to patients spending 25.0% and 60.5% of their treatment time in a hospital. Main hospitalization reasons were R/R ALL treatment (5.2 (INO) vs 14.0 (SoC) days, IRR = 0.368, P < .001), treatment toxicities (1.4 vs 2.8 days, IRR = 0.516, P < .001) or other reasons (1.0 vs 1.6 days, IRR 0.629, P < .001).

Conclusions

Inotuzumab Ozogamicin treatment in R/R ALL is associated with a lower hospitalization burden compared with SoC. It is likely this lower burden has a favorable impact on healthcare budgets and cost‐effectiveness considerations.
LMP1‐positive extracellular vesicles promote radioresistance in nasopharyngeal carcinoma cells through P38 MAPK signaling
Authors: Zhang Zhibao , Yu Xuehui , Zhou Zhuan , Li Bo , Peng Jinwu , Wu Xia , Luo Xiangjian , Yang Lifang
Published: August 2019

Radioresistance has been one of the impediments to effective nasopharyngeal carcinoma (NPC) therapy in clinical settings. Epstein‐Barr virus (EBV) encoded latent membrane protein 1 (LMP1) is expressed in NPC and has potent effects on radioresistance. It has been detected in extracellular vesicles (EVs) or exosomes and shown to promote tumor proliferation and invasive potential. However, whether LMP1‐positive EVs can confer radioresistance to cancer cells and the mechanism used to promote radioresistance need to be elucidated. In this study, the data showed that EVs derived from LMP1‐positive NPC cells could induce recipient NPC cell proliferation and invasion and suppress apoptosis, especially promoting radioresistance. In addition, LMP1 could increase the secretion of LMP1‐positive EVs. Furthermore, transmitted LMP1 subsequently performed its oncogenic functions through activating P38 MAPK signaling in recipient cells, and inhibiting P38 activity could efficaciously restore the sensitivity of NPC cells to ionizing radiation (IR). Finally, we found that LMP1‐positive EVs could promote tumor growth and P38 inhibition eliminates this promoting effect in vivo, and EV formation is associated with a poor prognosis in NPC patients. These results showed that a few cells expressing LMP1 could enhance the radioresistance of NPC cells through potentially impacting the infected host and also modulating the tumor microenvironment.
Covalently Trapped Triarylamine‐Based Supramolecular Polymers
Authors: Liang Ting , Collin Dominique , Galerne Melodie , Fuks Gad , Vargas Jentzsch Andreas , Maaloum Mounir , Carvalho Alain , Giuseppone Nicolas , Moulin Emilie
Published: August 2019

C3‐Symmetric triarylamine trisamides (TATAs), decorated with three norbornene end groups, undergo supramolecular polymerization and further gelation by π–π stacking and hydrogen bonding of their TATA cores. By using subsequent ring‐opening metathesis polymerization, these physical gels are permanently crosslinked into chemical gels. Detailed comparisons of the supramolecular stacks in solution, in the physical gel, and in the chemical gel states, are performed by optical spectroscopies, electronic spectroscopies, atomic force microscopy, electronic paramagnetic resonance spectroscopy, X‐ray scattering, electronic transport measurements, and rheology. The results presented here clearly evidence that the core structure of the functional supramolecular polymers can be precisely retained during the covalent capture whereas the mechanical properties of the gels are concomitantly improved, with an increase of their storage modulus by two orders of magnitude.
A Nickel Complex Containing a Pyramidalized, Ambiphilic Pincer Germylene Ligand
Authors: Watanabe Takahito , Kasai Yumi , Tobita Hiromi
Published: August 2019

Reaction of N‐heterocyclic carbene (NHC)‐stabilized PGeP‐type germylene Ge{o‐(PiPr2)C6H4}2⋅MeIiPr (1) (MeIiPr=1,3‐diisopropyl‐4,5‐dimethylimidazol‐2‐ylidene) with Ni(cod)2 gave pincer germylene complex Ni[Ge{o‐(PiPr2)C6H4}2](MeIiPr) (2), in which the Ge center of 2 is significantly pyramidalized. Theoretical calculation on 2 predicted the ambiphilicity of the germanium center, which was confirmed by reactivity studies. Thus, complex 2 reacted with both Lewis base MeIMe (MeIMe=1,3,4,5‐tetramethylimidazol‐2‐ylidene) and Lewis acid BH3⋅SMe2 at the germanium center to afford the adducts Ni[Ge{o‐(PiPr2)C6H4}2⋅MeIMe](MeIiPr) (3) and Ni[Ge{o‐(PiPr2)C6H4}2⋅BH3](MeIiPr) (4), respectively. Furthermore, the former was slowly converted to dinuclear complex Ni2[Ge{o‐(PiPr2)C6H4}2]2(MeIMe)2 (5) at room temperature. Complex 5 can be regarded as a dimer of the MeIMe analog of 2 with a Ni‐Ge‐Ge‐Ni linkage.
Three cases of photoallergic contact dermatitis induced by the ultraviolet absorber benzophenone that occurred after dermatitis due to ketoprofen‐Investigation of cosensitization with other ultraviolet absorbers and patient background
Authors: Tanahashi Tomoko , Sasaki Kazumi , Numata Mitsuru , Matsunaga Kayoko
Published: August 2019

Objectives

Three teenage patients developed dermatitis at the site of contact of a free‐pass wristband from an amusement park. Each had experienced dermatitis due to ketoprofen. A chemical analysis of the components of the wristband and patch testing determined that the cause of the dermatitis was benzophenone, and this reaction was considered to be due to the cross‐reaction of ketoprofen and benzophenone. Because those who are photosensitized to ketoprofen are often known to coreact with several ultraviolet absorbers, we investigated the presence of cosensitization to various ultraviolet absorbers in the three patients. We also wanted to explore the background of how photosensitization to ketoprofen can occur in such young individuals.

Methods

The three patients underwent patch testing and photopatch testing with various ultraviolet absorbers. We also conducted a questionnaire survey of patients using ketoprofen‐containing topical medications.

Results

Positive photoallergic reactions were observed only with benzophenone‐3, benzophenone‐4, and octocrylene. The frequency of positive reactions was higher than in previous studies of cases after ketoprofen sensitization. About half of patients using topical medications containing ketoprofen did not know that ketoprofen could cause photocontact dermatitis. Most patients did not know about the duration of avoidance of ultraviolet exposure.

Conclusions

It is possible that photocontact allergy to substituted benzophenones and octocrylene was strongly established by being sensitized twice to ketoprofen and benzophenone. Sensitization to ketoprofen sometimes occurs at a young age, probably because of insufficient communication of the risk of photosensitization.
Use of Impella heart pump for management of women with peripartum cardiogenic shock
Authors: Elkayam Uri , Schäfer Andreas , Chieffo Alaide , Lansky Alexandra , Hall Shelley , Arany Zoltan , Grines Cindy
Published: August 2019

Background

Percutaneous mechanical circulatory support (MCS), such as the Impella heart pump is a valuable option for cardiogenic shock (CS), although the use of Impella in CS due to peripartum cardiomyopathy (PPCM) is limited.

Objective

To assess outcomes in women with PPCM supported with an Impella device from the global catheter‐based ventricular assist device (cVAD) Registry.

Methods and Results

A total of 15 women with PPCM supported with Impella devices between November 2008 and October 2015 were included. Of the 15 women, five were treated at Hannover medical school and have been reported previously, the rest were managed at various US hospitals. The mean age was 30.0 ± 7.34 years, eight women were Caucasian, and seven were African‐American. The occurrence of PPCM was post‐delivery in eight (53.3%), at delivery in one (6.7%), and during gestation in four women (26.7%). At admission, all women had severe heart failure with a mean ejection fraction of 14.7 ± 6% and 13 women (86.7%) presented with CS. Prior to Impella, 100% were mechanically ventilated, 79% received inotropes/vasopressors, 20% supported with IABP, and 27% received veno‐arterial extracorporeal membrane oxygenation (VA ECMO) during Impella support. Two women (13.3%) died, and 13 (87.7%) survived to discharge. Eight women (53.3%) had a recovery of native heart function and six (40%) were bridged to durable left ventricular assist device (LVAD).

Conclusion

MCS with Impella devices can be successfully used as a bridge to early improvement, heart recovery, or successful implantation of durable LVAD in women with PPCM complicated by severe LV dysfunction.
Packaging design elements and consumers' decision to buy from the Web: A cause and effect decision‐making model
Authors: Al‐Samarraie Hosam , Eldenfria Atef , Dodoo Joana Eva , Alzahrani Ahmed Ibrahim , Alalwan Nasser
Published: August 2019

Recent advances in e‐commerce have resulted in significant progress being made toward strategies, requirements, and the development of various mechanisms aimed at influencing consumers' decisions to purchase online. The relationship between different packaging design elements and their effect on consumers' online buying decisions has been less researched, due in part to the lack of statistical power to detect cause and effect relationships between these elements. This study examines the feasibility of multiple‐criteria decision‐making in order to identify and analyze the causal relationships between the different packaging design elements that are required to stimulate consumers' decision to buy products online. Consumers' direct, indirect, and interdependent behaviors in relation to PDEs and purchase decisions were studied for this paper. A total of 142 students (89 males and 53 females, aged 22‐37 years) participated in this study. The results identified several associations between design elements. The four most important PDEs found to influence consumers' decision to buy via the internet were graphics, colours, label information, and country of origin. This study provides the necessary insights into the design of product packaging by targeting aspects related to the appearance of the products' characteristics. Correlations between the various PDEs obtained from this study can be used to increase consumers' interactions with products in e‐commerce environments.
Two‐Dimensional Electrocatalysts for Efficient Reduction of Carbon Dioxide
Authors: Zhang Ying , Li Linbo , Guo Si‐Xuan , Zhang Xiaolong , Li Fengwang , Bond Alan M. , Zhang Jie
Published: August 2019

Two‐dimensional (2D) materials are attractive catalysts for the electrochemical reduction of carbon dioxide reaction (eCO2RR) by virtue of their tunable atomic structures, abundant active sites, enhanced conductivity, suitable binding affinity to carbon dioxide and/or reaction intermediates, and intrinsic scalability. Herein, recent advances in 2D catalysts for the eCO2RR are reviewed. Structural features and properties of 2D materials that contribute to their advanced electrocatalytic properties are summarized, and strategies for enhancing their activity and selectivity for the eCO2RR are reviewed. Prospects and challenges of applications of 2D catalysts for the eCO2RR on an industrial scale are highlighted.
Enhancing the Antioxidant Activity of Technical Lignins by Combining Solvent Fractionation and Ionic‐Liquid Treatment
Authors: Majira Amel , Godon Blandine , Foulon Laurence , van der Putten Jacinta C. , Cézard Laurent , Thierry Marina , Pion Florian , Bado‐Nilles Anne , Pandard Pascal , Jayabalan Thangavelu , Aguié‐Béghin Véronique , Ducrot Paul‐Henri , Lapierre Catherine , Marlair Guy , Gosselink Richard J. A. , Baumberger Stephanie , Cottyn Betty
Published: August 2019

A grass soda technical lignin (PB1000) underwent a process combining solvent fractionation and treatment with an ionic liquid (IL), and a comprehensive investigation of the structural modifications was performed by using high‐performance size‐exclusion chromatography, 31P NMR spectroscopy, thioacidolysis, and GC–MS. Three fractions with distinct reactivity were recovered from successive ethyl acetate (EA), butanone, and methanol extractions. In parallel, a fraction deprived of EA extractives was obtained. The samples were treated with methyl imidazolium bromide ([HMIM]Br) by using either conventional heating or microwave irradiation. The treatment allowed us to solubilize 28 % of the EA‐insoluble fraction and yielded additional free phenols in all the fractions, as a consequence of depolymerization and demethylation. The gain of the combined process in terms of antioxidant properties was demonstrated through 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH.) radical‐scavenging tests. Integrating further IL safety‐related data and environmental considerations, this study paves the way for the sustainable production of phenolic oligomers competing with commercial antioxidants.
Missing data estimation and IoT‐based flyby monitoring of a water distribution system: Conceptual and experimental validation
Authors: Sankaranarayanan S. , Swaminathan G. , Radhakrishnan T.K. , Sivakumaran N.
Published: August 2019

Achieving uninterrupted water supply to the consumer node is considered to be the significant aspect for urban water distribution system (WDS). Under circumstances such as sensor failures or large sampling interval, the intermittent vital data are ignored, which lead to the missing data problem. In this work, an enhanced version of Kalman filter (KF) is proposed termed to be customized KF (CKF). The proposed CKF is equipped to handle the state‐ and input‐dependent noises, which are amplified based on the input and states in WDS. These noises corrupt the measured response from the WDS added to the conventional sensor and model uncertainties. In this case, a real‐world‐existing WDS is considered to test the credibility of the proposed algorithm. This reduces the complexity of the computation and the sampling rate of the measured head level, and the flows are considered to be random. The study indicates that the proposed CKF performs better in estimating the missing data voids with the noise‐corrupted measurements. To have the continuous monitoring accessible in remote sections, the vital parameters are monitored through Internet of Things (IoT) in android platform. The estimated data from the MATLAB and the sensor data of the consumer demands are monitored through user‐defined android application. This technique provides the advantage of monitoring the WDS in flyby condition and also even in the presence of any sensor failures, which also helps to localize the fault location.
ECaD: Energy‐efficient routing in flying ad hoc networks
Authors: Oubbati Omar Sami , Mozaffari Mohammad , Chaib Noureddine , Lorenz Pascal , Atiquzzaman Mohammed , Jamalipour Abbas
Published: August 2019

Much progress can be expected in the domain of unmanned aerial vehicle (UAV) communication by the next decade. The cooperation between multiple UAVs in the air exchanging data among themselves can naturally form a flying ad hoc network (FANET). Such networks can be the key support to accomplish several kinds of missions while providing the required assistance to terrestrial networks. However, they are confronted with many challenges and difficulties, which are due to the high mobility of UAVs, the frequent packet losses, and the weak links between UAVs, all affecting the reliability of the data delivery. Furthermore, the unbalanced energy consumption may result in earlier UAV failure and consequently accelerate the decrease of the network lifetime, thus disrupting the overall network. This paper supports the use of the movement information and the residual energy level of each UAV to guarantee a high level of communication stability while predicting a sudden link breakage prior to its occurrence. A robust route discovery process is used to explore routing paths where the balanced energy consumption, the link breakage prediction, and the connectivity degree of the discovered paths are all considered. The performance of the scheme is evaluated through a series of simulations. The outcomes demonstrate the benefits of the proposed scheme in terms of increasing the lifetime of the network, minimizing the number of path failures, and decreasing the packet losses.
Synthetic and Mechanistic Studies into the Rearrangement of Spirocyclic Indolenines into Quinolines
Authors: Epton Ryan G. , Clarke Aimee K. , Taylor Richard J. K. , Unsworth William P. , Lynam Jason M.
Published: August 2019

A Density functional theory (DFT) approach has been used to shed light on the mechanism of a recently discovered rearrangement reaction for the conversion of spirocyclic indolenines into cyclopentanone‐fused quinolines. A new base‐mediated variant of this unusual rearrangement reaction has also been developed, that operates at much lower temperatures than those required in the analogous acidic reactions. The DFT study suggests that both the acid and base‐mediated variants proceed via an enol/enolate intermediate, and the ease with which this key intermediate forms appears to be crucial in explaining the kinetic outcomes.
Transformation of Racemic Azlactones into Enantioenriched Dihydropyrroles and Lactones Enabled by Hydrogen‐Bond Organocatalysis
Authors: Žabka Matej , Kocian Adrián , Bilka Stanislav , Andrejčák Samuel , Šebesta Radovan
Published: August 2019

Azlactones, a potent building block for the synthesis of complex molecules, have been explored in an organocatalytic Mannich reaction with protected imines. In this study, azlactones containing a propargyl substituent were employed for the first time in organocatalysis so far. The catalytically active species responsible for high enantioselectivity with substrate containing such a small linear substituent is assembled in situ from a bifunctional thiourea, prone to dimerization, and an organic acid, as evidenced by DOSY NMR. The resulting α,β‐diamino acid derivatives were subjected to further derivatization: as an example, gold‐catalyzed intramolecular hydroamination of alkynes gave chiral spirocyclic dihydropyrrole. Alternatively, related squaramide catalyst enabled a Mannich reaction of azlactones with N‐aryl or alkyl glyoxylate imines. Reduction of these adducts gave access to 2,3‐diaminobutyrolactones or 2,3‐diamino‐1,4‐diol with a tertiary and a quaternary stereocenter.
An Azide‐Substituted Triarylborane: A Key Compound for the Facile Synthesis of Fluorescent Triarylboranes Bearing Triazole Moieties as Connectable π‐Conjugated System Linkages
Authors: Yoshino Junro , Konishi Shota , Kanno Ryosei , Hayashi Naoto , Higuchi Hiroyuki
Published: August 2019

Tris(4‐azido‐2,6‐dimethylphenyl)borane was readily synthesized from an amino‐substituted triarylborane using tert‐butyl nitrite and trimethylsilylazide. This compound can easily be converted into triarylboranes bearing various π‐conjugated moieties with triazole ring π‐linkers through a Huisgen cycloaddition. UV/Vis absorption spectra and DFT calculations suggested that constructing a triazole linker successfully extended the π‐conjugated system of triarylboranes. Triarylboranes obtained using this method maintained their fluorescent nature. In particular, the triarylborane linking N,N‐dimethylaminophenyl groups with triazole rings exhibited notable visible solvatofluorochromism and fluorescence color change upon addition of a fluoride anion.
Numerical artifacts associated with Rayleigh and modal damping models of inelastic structures with massless coordinates
Authors: Luco J. Enrique , Lanzi Armando
Published: August 2019

The paper presents a detailed reexamination of the effects of three damping models on the inelastic seismic response of structures with massless degrees of freedom. The models considered correspond to (a) Rayleigh damping based on current properties (tangent stiffness), (b) Rayleigh damping based on initial properties, and (c) modal damping. The results suggest that some nonzero damping forces/moments at massless DOFs obtained in multistory frames for the case of Rayleigh damping with tangent stiffness may be numerical artifacts rather than a deficiency of the damping model. The results also indicate that significant artificial numerical oscillations in the velocities of the secondary components of MDOF structures are introduced when modal damping or mass‐proportional damping is used.
Response characteristics of the resistivity and water content during the imbibition process in remolded coal without gas
Authors: Yue Jiwei , Wang Zhaofeng , Chen Jinsheng , Wang Bin , An Fenghua
Published: August 2019

The water content distribution in a coal body is closely related to the gas distribution. It is difficult to directly determine the water content distribution in the process water imbibition. To retrieve the water content by the resistivity value and establish a relationship between the resistivity and water content, the response characteristics of the resistivity and water content of remolded coal formed under different loads are studied by a self‐designed resistivity experimental system. The results show that the resistivity of the remolded coal decreases over time during the imbibition process, including a rapidly decreasing stage and a slowly decreasing stage. The resistivity of the remolded coal is related to the water in the macropore in the rapidly decreasing stage. In the slowly decreasing stage, the resistivity is related to the contact between coal particles. The pressing load, imbibition range, and imbibition speed are negatively correlated with porosity. The resistivity of the steady state is also negatively correlated with the water content and pressing load. The relationship between the resistivity of the steady state and the water content fit a power function. This study reveals the law of resistivity and the water content during the imbibition process and provides an effective methodology to bridge the gap for measuring water content distribution during the imbibition process.
Comparative Lethality of In ovo Exposure to PCB 126, PCB 77, and 2 Environmentally Relevant PCB Mixtures in Japanese Quail (Coturnix japonica)
Authors: Dean Karen M. , Marcell Allegra M. , Baltos Leah D. , Carro Tiffany , Bohannon Meredith E.B. , Ottinger Mary Ann
Published: August 2019

The Japanese quail (Coturnix japonica) egg bioassay was used to directly compare the toxicity of 3,3’,4,4’,5-pentachlorobiphenyl (PCB 126), 3,3’,4,4’-tetrachlorobiphenyl (PCB 77), and 2 environmentally relevant polychlorinated biphenyl (PCB) mixtures over specified dose ranges relative to vehicle and uninjected controls. Measures included lethality and deformities. Results showed clear dose-response relationships for PCB 126 and the 2 PCB mixtures by logistic analysis of covariance using a varying threshold model because there was a low but significant slope for mortality of vehicle controls over incubation. No dose-dependent increase in mortality was observed with PCB 77 treatment. Mortality increased above baseline for PCB 126 and the 2 mixtures after embryonic day 7 (ED07) to a stable slope from ED10. Median lethal doses and thresholds for response differed for PCB 126 and the 2 PCB mixtures, with the mixtures having lower initial toxicity and all showing progressively greater toxicity over the course of development. Further, the lethality of the PCB mixtures appeared to involve both aryl hydrocarbon receptor (AhR) and non-AhR mechanisms. Incidence of deformities was unrelated to treatments. In summary, complex mixtures of PCBs were lethal in a dose-related manner, with sublethal effects from exposure to PCB 77. Environ Toxicol Chem 2019;38:2637–2650. © 2019 SETAC
Study on molecular mechanisms of nattokinase in pharmacological action based on label‐free liquid chromatography–tandem mass spectrometry
Authors: Pan Xia , Liang Pengyu , Teng Luyao , Ren Yuhao , Peng Jixian , Liu Weizhi , Yang Yan
Published: August 2019

Cardiovascular diseases (CVDs) are the leading causes of premature death and disability in people around the world. Therefore, the prevention and treatment of CVDs has become an important subject. In this study, we verified the thrombolytic activities of a nattokinase‐like protease named NK‐01 in vivo. Label‐free liquid chromatography–tandem mass spectrometry (LC‐MS/MS) technique was used in our study. NK‐01 could inhibit the activity of coagulation factors though the up‐regulation of proteinase C inhibitors and protein S. NK‐01 also could inhibit the angiotensinogen conversion to AngII and promote the degradation of kininogen to reduce the blood pressure. In addition, NK‐01 could increase the content of paraoxonase 1, which could prevent atherosclerosis. In our study, we found that NK‐01 cloud effect some key proteins which participant in CVDs associated metabolic processes such as coagulation system, blood pressure, and atherosclerosis. Taken together, the underlying molecular mechanisms for the biological beneficial of NK‐01 were investigated. Our proteomic study will provide further theoretical basis for application of NK in prevention or adjuvant treatment in biomedicine areas.
Mesh adaptivity for quasi‐static phase‐field fractures based on a residual‐type a posteriori error estimator
Authors: Mang K. , Walloth M. , Wick T. , Wollner W.
Published: August 2019

In this work, we consider adaptive mesh refinement for a monolithic phase‐field description for fractures in brittle materials. Our approach is based on an a posteriori error estimator for the phase‐field variational inequality realizing the fracture irreversibility constraint. The key goal is the development of a reliable and efficient residual‐type error estimator for the phase‐field fracture model in each time‐step. Based on this error estimator, error indicators for local mesh adaptivity are extracted. The proposed estimator is based on a technique known for singularly perturbed equations in combination with estimators for variational inequalities. These theoretical developments are used to formulate an adaptive mesh refinement algorithm. For the numerical solution, the fracture irreversibility is imposed using a Lagrange multiplier. The resulting saddle‐point system has three unknowns: displacements, phase‐field, and a Lagrange multiplier for the crack irreversibility. Several numerical experiments demonstrate our theoretical findings with the newly developed estimators and the corresponding refinement strategy.
Spline‐ and hp‐basis functions of higher differentiability in the finite cell method
Authors: Kollmannsberger Stefan , D'Angella Davide , Rank Ernst , Garhuom Wadhah , Hubrich Simeon , Düster Alexander , Stolfo Paolo Di , Schröder Andreas
Published: August 2019

In this paper, the use of hp‐basis functions with higher differentiability properties is discussed in the context of the finite cell method and numerical simulations on complex geometries. For this purpose, Ck hp‐basis functions based on classical B‐splines and a new approach for the construction of C1 hp‐basis functions with minimal local support are introduced. Both approaches allow for hanging nodes, whereas the new C1 approach also includes varying polynomial degrees. The properties of the hp‐basis functions are studied in several numerical experiments, in which a linear elastic problem with some singularities is discretized with adaptive refinements. Furthermore, the application of the Ck hp‐basis functions based on B‐splines is investigated in the context of nonlinear material models, namely hyperelasticity and elastoplasicity with finite strains.
Age‐dependent brain volume and neuropsychological changes after chemotherapy in breast cancer patients
Authors: Blommaert Jeroen , Schroyen Gwen , Vandenbulcke Mathieu , Radwan Ahmed , Smeets Ann , Peeters Ron , Sleurs Charlotte , Neven Patrick , Wildiers Hans , Amant Frédéric , Sunaert Stefan , Deprez Sabine
Published: August 2019

This study investigated volumetric brain changes and cognitive performance in premenopausal and postmenopausal patients treated for early‐stage breast cancer. Participants underwent elaborate neurocognitive assessments (neuropsychological testing, cognitive failure questionnaire, and high‐resolution T1‐weighted structural MRI) before and after chemotherapy. Volumetric brain changes were estimated, using longitudinal deformation‐based morphometry, and correlated with cognitive changes. In total, 180 women participated in this study, of whom 72 patients with breast cancer had received adjuvant chemotherapy (C+), 49 patients did not receive chemotherapy (C−), and 59 healthy controls (HC). The population was categorized into two age groups: A young group who were premenopausal and younger than 52 years at baseline (n = 55C+/32C−/41HC), and an older group who were postmenopausal and older than 60 years (n = 17C+/17C−/18HC). Cognitive impairment occurred after chemotherapy in both young and older patients, although older patients showed more decline in processing speed (Trail making test b). White matter volume expansion was observed after chemotherapy, only significantly present in the younger subgroup of patients. In patients not treated with chemotherapy, diffuse gray and white matter volume reduction was observed. Less white matter expansion concurred with more cognitive decline (r > .349, p < .05). In conclusion, we found age‐dependent cognitive decline and white matter volume changes in patients with breast cancer after chemotherapy, which could possibly be linked to neuroinflammatory processes. White matter expansion after chemotherapy, more pronounced in premenopausal patients, correlated with less cognitive decline. This suggests such expansion to be age‐dependent, possibly caused by a protective response in the younger brain to chemotherapy‐induced neurotoxicity.
Changing functional status within 6 months posttreatment is prognostic of overall survival in patients with head and neck cancer: NRG Oncology Study
Authors: Eldridge Ronald C. , Pugh Stephanie L. , Trotti Andy , Hu Kenneth , Spencer Sharon , Yom Sue S. , Rosenthal David , Read Nancy , Desai Anand , Gore Elizabeth , Shenouda George , Mishra Mark V. , Bruner Deborah , Xiao Canhua
Published: August 2019

Background

Is posttreatment functional status prognostic of overall survival in patients with head and neck cancer (HNC).

Methods

In an HNC clinical trial, 495 patients had two posttreatment functional assessments measuring diet, public eating, and speech within 6 months. Patients were grouped by impairment (highly, moderately, modestly, or not impaired) and determined if they improved, declined, or did not change from the first assessment to the second. Multivariable Cox models estimated overall mortality.

Results

Across all three scales, the change in posttreatment patient function strongly predicted overall survival. In diet, patients who declined to highly impaired had three times the mortality of patients who were not impaired at both assessments (hazard ratio [HR] = 3.60; 95% confidence interval, 2.02‐6.42). For patients improving from highly impaired, mortality was statistically similar to patients with no impairment (HR = 1.38; 95% CI, 0.82‐2.31).

Conclusions

Posttreatment functional status is a strong prognostic marker of survival in patients with HNC.
Coupled rainfall and water vapour stable isotope time series reveal tropical atmospheric processes on multiple timescales
Authors: Munksgaard Niels C. , Zwart Costijn , Haig Jordahna , Cernusak Lucas A. , Bird Michael I.
Published: August 2019

High‐frequency stable isotope data are useful for validating atmospheric moisture circulation models and provide improved understanding of the mechanisms controlling isotopic compositions in tropical rainfall. Here, we present a near‐continuous 6‐month record of O‐ and H‐isotope compositions in both water vapour and daily rainfall from Northeast Australia measured by laser spectroscopy. The data set spans both wet and dry seasons to help address a significant data and knowledge gap in the southern hemisphere tropics. We interpret the isotopic records for water vapour and rainfall in the context of contemporaneous meteorological observations. Surface air moisture provided near‐continuous tracking of the links between isotopic variations and meteorological events on local to regional spatial scales. Power spectrum analysis of the isotopic variation showed a range of significant periodicities, from hourly to monthly scales, and cross‐wavelet analysis identified significant regions of common power for hourly averaged water vapour isotopic composition and relative humidity, wind direction, and solar radiation. Relative humidity had the greatest subdiurnal influence on isotopic composition. On longer timescales (weeks to months), isotope variability was strongly correlated with both wind direction and relative humidity. The high‐frequency records showed diurnal isotopic variations in O‐ and H‐isotope compositions due to local dew formation and, for deuterium excess, as a result of evapotranspiration. Several significant negative isotope anomalies on a daily scale were associated with the activity of regional mesoscale convective systems and the occurrence of two tropical cyclones. Calculated air parcel back trajectories identified the predominant moisture transport paths from the Southwest Pacific Ocean, whereas moisture transport from northerly directions occurred mainly during the wet season monsoonal airflow. Water vapour isotope compositions reflected the same meteorological events as recorded in rainfall isotopes but provided much more detailed and continuous information on atmospheric moisture cycling than the intermittent isotopic record provided by rainfall. Improved global coverage of stable isotope data for atmospheric water vapour is likely to improve simulations of future changes to climate drivers of the hydrological cycle.
AutoGridFR: Improvements on AutoDock Affinity Maps and Associated Software Tools
Authors: Zhang Yuqi , Forli Stefano , Omelchenko Anna , Sanner Michel F.
Published: August 2019

Precomputed affinity maps are used byAutoDockto efficiently describe rigid biomolecules called receptors in automated docking. These maps greatly speed up the docking process and allow users to experiment with the forcefield. Here, we presentAutoGridFR(AGFR): a software tool facilitating the calculation of these maps. We describe a new version of theAutoSitealgorithm that improves the description of binding pockets automatically detected on receptors, and an algorithm for adding affinity gradients which help search methods optimize solution using fewer evaluations of the scoring functions.AGFRsupports the calculation of maps for various advanced docking techniques such as covalent docking, hydrated docking, and docking with flexible receptor sidechains. Maps are stored in a single file along with metadata supporting data provenance, reproducibility, and facilitating their management. Finally, maps can be calculated from the command line or through a modern graphical user interface which also supports their visualization. © 2019 Wiley Periodicals, Inc.
Associations of fat‐soluble micronutrients and redox biomarkers with frailty status in the FRAILOMIC initiative
Authors: Kochlik Bastian , Stuetz Wolfgang , Pérès Karine , Pilleron Sophie , Féart Catherine , García García Francisco José , Bandinelli Stefania , Gomez‐Cabrero David , Rodriguez‐Mañas Leocadio , Grune Tilman , Weber Daniela
Published: August 2019

Background

A poor fat‐soluble micronutrient (FMN) and a high oxidative stress status are associated with frailty. Our aim was to determine the cross‐sectional association of FMNs and oxidative stress biomarkers [protein carbonyls (PrCarb) and 3‐nitrotyrosine] with the frailty status in participants older than 65 years.

Methods

Plasma levels of vitamins A (retinol), D3, E (α‐tocopherol and γ‐tocopherol) and carotenoids (α‐carotene and β‐carotene, lycopene, lutein/zeaxanthin, and β‐cryptoxanthin), PrCarb, and 3‐nitrotyrosine were measured in 1450 individuals of the FRAILOMIC initiative. Participants were classified into robust, pre‐frail, and frail using Fried's frailty criteria. Associations between biomarkers and frailty status were assessed by general linear and logistic regression models, both adjusted for cohort, season of blood sampling, gender, age, height, weight, and smoking.

Results

Robust participants had significantly higher vitamin D3 and lutein/zeaxanthin concentrations than pre‐frail and frail subjects; had significantly higher γ‐tocopherol, α‐carotene, β‐carotene, lycopene, and β‐cryptoxanthin concentrations than frail subjects, and had significantly lower PrCarb concentrations than frail participants in multivariate linear models. Frail subjects were more likely to be in the lowest than in the highest tertile for vitamin D3 (adjusted odds ratio: 2.15; 95% confidence interval: 1.42–3.26), α‐tocopherol (2.12; 1.39–3.24), α‐carotene (1.69; 1.00–2.88), β‐carotene (1.84; 1.13–2.99), lycopene (1.94; 1.24–3.05), lutein/zeaxanthin (3.60; 2.34–5.53), and β‐cryptoxanthin (3.02; 1.95–4.69) and were more likely to be in the highest than in the lowest tertile for PrCarb (2.86; 1.82–4.49) than robust subjects in multivariate regression models.

Conclusions

Our study indicates that both low FMN and high PrCarb concentrations are associated with pre‐frailty and frailty.