bluuebunny/crossref_metadata_2025 huggingface dataset:
Spatiotemporal Responses of Groundwater Flow and Aquifer‐River Exchanges to Flood Events
Authors: Liang Xiuyu , Zhan Hongbin , Schilling Keith
Published: February 2018

Rapidly rising river stages induced by flood events lead to considerable river water infiltration into aquifers and carry surface‐borne solutes into hyporheic zones which are widely recognized as an important place for the biogeochemical activity. Existing studies for surface‐groundwater exchanges induced by flood events usually limit to a river‐aquifer cross section that is perpendicular to river channels, and neglect groundwater flow in parallel with river channels. In this study, surface‐groundwater exchanges to a flood event are investigated with specific considerations of unconfined flow in direction that is in parallel with river channels. The groundwater flow is described by a two‐dimensional Boussinesq equation and the flood event is described by a diffusive‐type flood wave. Analytical solutions are derived and tested using the numerical solution. The results indicate that river water infiltrates into aquifers quickly during flood events, and mostly returns to the river within a short period of time after the flood event. However, the rest river water will stay in aquifers for a long period of time. The residual river water not only flows back to rivers but also flows to downstream aquifers. The one‐dimensional model of neglecting flow in the direction parallel with river channels will overestimate heads and discharge in upstream aquifers. The return flow induced by the flood event has a power law form with time and has a significant impact on the base flow recession at early times. The solution can match the observed hydraulic heads in riparian zone wells of Iowa during flood events.
Intrinsic Constraints on Asymmetric Turbulent Transport of Scalars Within the Constant Flux Layer of the Lower Atmosphere
Authors: Li Dan , Katul Gabriel G. , Liu Heping
Published: February 2018

A widely used assumption in boundary layer meteorology is the z independence of turbulent scalar fluxes Fs throughout the atmospheric surface layer, where z is the distance from the boundary. This assumption is necessary for the usage of Monin‐Obukhov Similarity Theory and for the interpretation of eddy covariance measurements of Fs when using them to represent emissions or uptake from the surface. It is demonstrated here that the constant flux assumption offers intrinsic constraints on the third‐order turbulent transport of Fs in the unstable atmospheric surface layer. When enforcing z independence of Fs on multilevel Fs measurements collected above different surface cover types, it is shown that increasing instability leads to a novel and universal description of (i) the imbalance between ejecting and sweeping eddy contributions to Fs and (ii) the ratio formed by a dimensionless turbulent transport of Fs and a dimensionless turbulent transport of scalar variance. When combined with structural models for the turbulent transport of Fs, these two findings offer a new perspective on “closing” triple moments beyond conventional gradient diffusion schemes. A practical outcome is a diagnostic of the constant flux assumption from single‐level Fs measurements.
Aggression is associated with greater subsequent alcohol consumption: A shared neural basis in the ventral striatum
Authors: Chester David S. , DeWall C. Nathan
Published: February 2018

Alcohol use and abuse (e.g., binge drinking) are among the most reliable causes of aggressive behavior. Conversely, people with aggressive dispositions (e.g., intermittent explosive disorder) are at greater risk for subsequent substance abuse. Yet it remains unknown why aggression might promote subsequent alcohol use. Both aggressive acts and alcohol use are rewarding and linked to greater activity in neural reward circuitry. Through this shared instantiation of reward, aggression may then increase subsequent alcohol consumption. Supporting this mechanistic hypothesis, participants’ aggressive behavior directed at someone who had recently rejected them, was associated with more subsequent beer consumption on an ad‐lib drinking task. Using functional MRI, both aggressive behavior and beer consumption were associated with greater activity in the bilateral ventral striatum during acts of retaliatory aggression. These results imply that aggression is linked to subsequent alcohol abuse, and that a mechanism underlying this effect is likely to be the activation of the brain's reward circuitry during aggressive acts.
Association between intimate partner violence during pregnancy and maternal pregnancy complications among recently delivered women in Bangladesh
Authors: Ferdos Jannatul , Rahman Md. Mosfequr , Jesmin Syeda S. , Rahman Md. Aminur , Sasagawa Toshiyuki
Published: February 2018

Intimate partner violence (IPV), an actual or threatened physical, sexual, or psychological abuse by a current or former partner or spouse, is a common global public health issue. Understanding both the prevalence of IPV during pregnancy and its potential impact on the health of pregnant women is important for the development and implementation of interventions to prevent maternal morbidity and mortality. The purpose of this study was to explore the association between maternal experiences of IPV during pregnancy and pregnancy complications. A health‐facility‐based cross‐sectional study was conducted from July 2015 to April 2016 among 400 randomly selected women who were admitted to the postnatal wards of Rajshahi Medical College Hospital for delivery. Data were collected through face‐to‐face interviews using a structured questionnaire. Multivariable logistic regressions were performed to assess relationships between variables of interest after controlling for potential confounders. Results indicated that 39.0% of women reported physical IPV and 26.3% of women reported sexual IPV during pregnancy. Additionally, 69.5% of women experienced medical complications (MCs); of this group, 44.3% experienced obstetric complications (OCs) and 79.3% experienced any pregnancy complication (AC) during their last pregnancy. The experience of physical IPV during pregnancy was significantly associated with the experience of MCs (adjusted odds ratio (AOR): 2.05, 95% confidence interval (CI): 1.15–4.01), OCs (AOR: 4.23, 95% CI: 2.01–7.12) and AC (AOR: 5.26, 95% CI: 2.98–10.52). Women who experienced sexual IPV during pregnancy were also at increased risk of suffering from any MC, any OC, and AC. Maternal experience of IPV during pregnancy is positively associated with pregnancy complications. Preventing IPV directed at pregnant women might reduce maternal morbidity and mortality in Bangladesh.
The Self‐Ordered Lamellar Texture of MoS2 Transfer Film Formed in Complex Lubrication
Authors: Hou Kaiming , Yang Shengrong , Liu Xiaohong , Wang Jinqing
Published: February 2018

In virtue of the porous microstructure and permeability of a novel MoS2 coating constituted of loosely stacked nanosheets, low viscous polyalphaolefin‐4 lubricating oil is infused to form a solid–liquid complex lubrication coating. Compared with single lubrication mode, complex lubrication shows noticeable reduction of friction as the friction coefficient is just one‐fourth of that for solid coating and half of that for lubricating oil; meanwhile, the load‐carrying capability is drastically improved by more than six times and the lifetime is greatly prolonged from 1300 to beyond 16 000 cycles even under the high contact pressure of 0.5 GPa. Detailed microscopic observation and analysis are conducted to explore the reason behind this excellent performance. A thin, coherent MoS2 transfer film is found to cover the whole contact area on counter surface. The high‐resolution cross‐sectional view further shows there is highly ordered lamellar texture inside the transfer film. Through effective physical adhesion and reorientation, this self‐ordered texture plays a key role in lubrication process. It endows the MoS2 with high‐performance lubrication irrespective of the initial orientation. Meanwhile, this finding gives evidence that the lubricity of MoS2 strongly depends on the cleavage within the crystallites rather than intercrystallite slip.
Radial‐Grating Pendulum‐Structured Triboelectric Nanogenerator for Energy Harvesting and Tilting‐Angle Sensing
Authors: He Chuan , Chen Bao Dong , Jiang Tao , Xu Liang , Han Chang Bao , Gu Guang Qin , Wang Zhong Lin
Published: February 2018

A radial‐grating pendulum‐structured triboelectric nanogenerator (RP‐TENG) is demonstrated for energy harvesting and tilting‐angle sensing. By employing the pendulum structure, the RP‐TENG is applied to capture biomechanical energy from human motion or harness the energy in acceleration or deceleration processes of moving vehicles. The electrical performance of the RP‐TENG is systematically studied by simulating the repetitive movement of human arms and legs during walking at different repetition frequency. At the resonance frequency of 1.5 Hz, the open‐circuit voltage (VOC) and short‐circuit current (ISC) produced are 83.6 ± 0.5 V and 8.46 ± 0.08 µA, respectively, and the maximum instantaneous power density is 35.2 mW m−2 at a load resistance of 10 MΩ. Through parallel‐connecting 4 pairs of triboelectric layers, the ISC can be increased from 4.45 µA for one pair of triboelectric layers to 12.83 µA. Furthermore, owing to its high sensitivity to minor changes from the vertical level (the lower detection limit of the RP‐TENG is 0.25°), a RP‐TENG integrated tilt sensing alarm system is developed, which can be applied in security or seismic monitoring systems.
Rheological Modification of Liquid Metal for Additive Manufacturing of Stretchable Electronics
Authors: Daalkhaijav Uranbileg , Yirmibesoglu Osman Dogan , Walker Stephanie , Mengüç Yigit
Published: February 2018

One of the challenges to rapidly manufacturing flexible electronics is the complexity involved in printing circuitry from stretchable conductors. Eutectic gallium alloys are typically used as the conductive material because they have unique high conductivity, self‐healing, and stretchable properties. However, limited 3D printing has been demonstrated by leveraging the structural stabilization provided by the thin gallium oxide film. Vertical structures are difficult to print with a liquid metal (LM) due to the low viscosity and high surface tension of the gallium alloy, which easily leads to coalescence. A method is presented to alter the physical structure of the liquid metal through the incorporation of a conductive nano‐ or micronickel fillers. The resulting rheological modification of the liquid metal to a paste drastically increases the fluidic elastic modulus and yield stress, rendering it 3D printable. Further, the modification retains the high electrical conductivity (3.9 × 106 ± 9.5 × 105 S m−1) and stretchability (over 350% strain) of pure liquid metal. The ability to print 3D standing structures using this highly conductive metal paste opens up new opportunities to manufacture more complex stretchable electronics.
Digit ratio (2D:4D) in Chinese women with gastric cancer
Authors: Wang Lu , Lu Hong , Li Ke‐Ke , Bai Chun‐Yue , Ma Zhan‐Bing
Published: February 2018

Objectives

Digit ratio, especially the second‐to‐fourth digit ratio (2D:4D), is a proxy indicator for prenatal exposure and sensitivity to sexual hormones which may influence the susceptibility to certain cancers. The aim of the present study was to investigate whether there is a possible association between 2D:4D and gastric cancer (GCA) in north Chinese women.

Methods

Photographs of the left and right hands of 167 women (controls: 113; patients: 54) were collected. Left hand, right hand, and right minus left hand (Dr‐l) 2D:4D were analyzed and compared.

Results

The GCA group presented significantly lower 2D:4D than controls (left: P < .01; right: P < .05). No significant difference was observed in Dr‐l between the two groups. In patients, there were no correlations between 2D:4D and age at GCA or tumor staging.

Conclusions

Decreased 2D:4D (especially of the left hand) may suggest a higher prenatal testosterone (lower prenatal estrogen) exposure in north Chinese women with GCA.
Three‐dimensional anatomy of the anthropoid bony pelvis
Authors: Ward Carol V. , Maddux Scott D. , Middleton Emily R.
Published: February 2018

Objectives

Pelvic form is hypothesized to reflect locomotor adaptation in anthropoids. Most observed variation is found in the ilium, which traditionally is thought to reflect thoracic and shoulder morphology. This article examines the articulated bony pelvis of anthropoids in three dimensions (3D) to test hypothesized variation in pelvic anatomy related to overall torso form.

Materials and Methods

Sixty landmarks were collected on articulated pelves from 240 anthropoid individuals. Landmark data were subjected to a Generalized Procrustes Analysis. Principal Components Analysis was used to identify trends among taxa. Linear metrics were extracted, and bivariate allometric analysis was used to compare intergroup differences and scaling trends of specific dimensions.

Results

The combination of 3D and bivariate allometric analysis demonstrates a complex pattern of locomotor/phylogenetic and allometric influences on pelvic morphology. Apes have relatively narrower dorsal interiliac spacing than do most monkeys, with relatively smaller spinal muscle attachment areas but only minimally wider ventral bi‐iliac breadths. Hylobatids and atelids have a relatively more cranial position of their sacra than do other taxa, and hylobatids and cercopithecids relatively more retroflexed ischia. Within groups, the three pelvic joints (lumbosacral, sacroiliac, and hip) become relatively closer together with increasing body size.

Conclusions

A three‐dimensional consideration of the articulated pelvis in anthropoids reveals determinants of pelvic variation not previously appreciated by studies of isolated hipbones. This study provides no support for the hypothesis that the ape pelvis is mediolaterally broader than that of monkeys in relative terms, as would be expected if iliac shape is related to hypothesized differences in thoracic breadth and shoulder orientation. Instead, apes, especially great apes, have relatively narrow sacra and longer lower pelves, related to their shorter, stiffer lumbar spines and torsos. This difference, coupled with strong positive allometry of iliac breadth and negative allometry of key pelvic lengths, along with some variation in ischial morphology in certain taxa, explains much of the variation in pelvic form among anthropoid primates.
Do subjects with minimal motor features have prodromal Parkinson disease?
Authors: Chu Yaping , Buchman Aron S. , Olanow C. Warren , Kordower Jeffrey H.
Published: February 2018

Objective

Understanding the pathological changes underlying mild motor features of the eldery and defining a patient population with prodromal Parkinson disease (PD) are of great clinical importance. It remains unclear, however, how to accurately and specifically diagnose prodromal PD. We examined whether older adults with minimal parkinsonian motor features have nigrostriatal degeneration and α‐synuclein pathology consistent with prodromal PD.

Methods

Brain sections were obtained from older adults with a clinical diagnosis of PD (n = 21) and without a clinical diagnosis of PD (n = 27) who underwent motor examination proximate to death. Cases without PD were further dichotomized into no motor deficit (n = 9) or minimal motor features (n = 18) groups using a modified Unified Parkinson's Disease Rating Scale. We performed quantitative unbiased stereological analyses of dopaminergic neurons/terminals and α‐synuclein accumulation in the nigrostriatal system.

Results

In all subjects with minimal motor features, there were significant reductions in dopaminergic neurons and terminals in the substantia nigra and putamen that were intermediate between subjects with no motor deficit and PD. Phosphorylated α‐synuclein inclusions were observed in the substantia nigra that were of similar density to what was seen in PD. Furthermore, there was greater Lewy neuritic pathology in the putamen relative to PD patients. Lastly, neurons with α‐synuclein inclusions displayed reductions in tyrosine hydroxylase expression that were comparable in subjects with both minimal motor features and PD.

Interpretation

Minimal motor features in older adults may represent prodromal PD and identify at‐risk individuals for testing putative neuroprotective interventions that could slow or prevent PD progression. Ann Neurol 2018;83:562–574
Enantioselective Synthesis of the Spirotropanyl Oxindole Scaffold through Bimetallic Relay Catalysis
Authors: Jia Zhi‐Jun , Shan Gang , Daniliuc Constantin G. , Antonchick Andrey P. , Waldmann Herbert
Published: February 2018

Spirotropanyl oxindole alkaloids like alstonisine and chitosenine show a wide range of bioactivites. We report the first enantioselective synthesis of the spirotropanyl oxindole scaffold by means of a bimetallic relay catalysis strategy. A new class of E‐oximino α‐diazo ketones was developed for the intramolecular generation of transient azomethine ylides catalyzed by an achiral RhII complex and a subsequent intermolecular 1,3‐dipolar cycloaddition catalyzed by a chiral N,N′‐dioxide NdIII Lewis acid complex. The enantioselectively catalyzed transformation has broad scope and yields the desired spirotropanyl oxindole cycloadducts in high yields and with very high enantio‐ and diastereoselectivity.
A Naturally Encoded Dipeptide Handle for Bioorthogonal Chan–Lam Coupling
Authors: Ohata Jun , Zeng Yimeng , Segatori Laura , Ball Zachary T.
Published: February 2018

Manipulation of biomacromolecules is ideally achieved through unique and bioorthogonal chemical reactions of genetically encoded, naturally occurring functional groups. The toolkit of methods for site‐specific conjugation is limited by selectivity concerns and a dearth of naturally occurring functional groups with orthogonal reactivity. We report that pyroglutamate amide N−H bonds exhibit bioorthogonal copper‐catalyzed Chan–Lam coupling at pyroglutamate‐histidine dipeptide sequences. The pyroglutamate residue is readily incorporated into proteins of interest by natural enzymatic pathways, allowing specific bioconjugation at a minimalist dipeptide tag.
Palladium‐Catalyzed Reductive Insertion of Alcohols into Aryl Ether Bonds
Authors: Wang Meng , Gutiérrez Oliver Y. , Camaioni Donald M. , Lercher Johannes A.
Published: February 2018

Palladium on carbon catalyzes C−O bond cleavage of aryl ethers (diphenyl ether and cyclohexyl phenyl ether) by alcohols (R−OH) in H2. The aromatic C−O bond is cleaved by reductive solvolysis, which is initiated by Pd‐catalyzed partial hydrogenation of one phenyl ring to form an enol ether. The enol ether reacts rapidly with alcohols to form a ketal, which generates 1‐cyclohexenyl−O−R by eliminating phenol or an alkanol. Subsequent hydrogenation leads to cyclohexyl−O−R.
Does the Morphology of the Forelimb Flexor Muscles Differ Between Lizards Using Different Habitats?
Authors: Lowie Aurélien , Herrel Anthony , Abdala Virginia , Manzano Adriana S. , Fabre Anne‐Claire
Published: February 2018

Lizards are an interesting group to study how habitat use impacts the morphology of the forelimb because they occupy a great diversity of ecological niches. In this study, we specifically investigated whether habitat use impacts the morphology of the forelimb flexor muscles in lizards. To do so, we performed dissections and quantified the physiological cross sectional area (PCSA), the fiber length, and the mass of four flexor muscles in 21 different species of lizards. Our results show that only the PCSA of the m. flexor carpi radialis is different among lizards with different ecologies (arboreal versus non‐arboreal). This difference disappeared, however, when taking phylogeny into account. Arboreal species have a higher m. flexor carpi radialis cross sectional area likely allowing them to flex the wrist more forcefully which may allow them climb and hold on to branches better. In contrast, other muscles are not different between arboreal and non‐arboreal species. Further studies focusing on additional anatomical features of the lizard forelimb as well as studies documenting how lizards use the arboreal niche are needed to fully understand how an arboreal life style may constrain limb morphology in lizards. Anat Rec, 301:424–433, 2018. © 2018 Wiley Periodicals, Inc.
Functional Morphology and Behavioral Correlates to Postcranial Musculature
Authors: Marchi Damiano , Hartstone‐Rose Adam
Published: February 2018

In this the second issue of a two‐volume set of the Anatomical Record on the relationship between muscle functional morphology and behavior, the focus is on the postcranial musculature. Traditionally, when talking of the postcranium we think of the skeletal parts that primarily provide the lever system necessary for body movements. However, without the force produced by muscle, the postcranial skeleton could not perform these or most other tasks. In this special issue, our colleagues present ten papers that focus on postcranial muscle morphology and function from different perspectives. They include papers on forelimb and hindlimb muscle functional morphology of vertebrates, including lizards, bats, primates, a carnivoran and a rodent, and involved in different substrate use (arboreal, terrestrial, and flying) and locomotion behavior (quadrupedal, leaper, and suspensory) along with a historical overview to help bookend the contextualization of the issues. The picture that these papers provide is one of great liveliness in the field of muscle functional morphology where both young students and affirmed professors continue to contribute with both traditional approaches and new techniques to further our knowledge of muscle morphology and its relationship with animal behavior. Anat Rec, 301:419–423, 2018. © 2018 Wiley Periodicals, Inc.
Direct Nitradated Graphite Felt as an Electrode Material for the Vanadium Redox Flow Battery
Authors: Kim Dae Sik , Chung Dong Jae , Park Hyeong‐Il , Ansari Mohammad Zahid , Song Taeseup , Kim Hansu
Published: February 2018

The vanadium redox flow battery (VRFB) is one of the most promising electrochemical energy storage systems for grid support. However, the electrochemical performance of the VRFB should be further improved for successful penetration into the large‐scale energy storage system market. Among all the components of the VRFB, the electrode, which provides an active site for the vanadium ion redox reaction, plays an important role in determining the electrochemical properties of the VRFB. In this work, nitrogen‐doped graphite felts prepared via a direct nitridation route using NH3 were investigated as electrode materials for the VRFB. The resulting N‐doped graphite felt electrode showed much improved voltage efficiency and energy efficiency of 87.1 and 85.0%, respectively, compared to those of pristine graphite felt (82.13 and 79.6%, respectively). These improvements can be attributed to doped nitrogen atoms in the graphite felt electrode acting as an efficient electrocatalyst for the vanadium redox reaction in a VRFB system.
Emerging role of the Jun N‐terminal kinase interactome in human health
Authors: Guo Xiao‐Xi , An Su , Yang Yang , Liu Ying , Hao Qian , Tang Tao , Xu Tian‐Rui
Published: February 2018

The c‐Jun N‐terminal kinases (JNKs) are located downstream of Ras‐mitogen activated protein kinase signaling cascades. More than 20 years of study has shown that JNKs control cell fate and many cellular functions. JNKs and their interacting proteins form a complicated network with diverse biological functions and physiological effects. Members of the JNK interactome include Jun, amyloid precursor protein, and insulin receptor substrate. Recent studies have shown that the JNK interactome is involved in tumorigenesis, neuron development, and insulin resistance. In this review, we summarize the features of the JNK interactome and classify its members into three groups: upstream regulators, downstream effectors, and scaffold partners. We also highlight the unique cellular signaling mechanisms of JNKs and provide more insights into the roles of the JNK interactome in human diseases.
Decision risk approach to the application of biological indicators in vapor phased hydrogen peroxide bio‐decontamination
Authors: Pusztai Éva , Kemény Sándor , Vágó Emese , Horváth Anikó
Published: February 2018

The ensuring of sterile conditions during pharmaceutical production is of vital importance. Restricted access barrier systems may not be sterilized in the usual way. Instead, vaporous hydrogen peroxide decontamination is used. The success of the decontamination is checked by placing biological indicators (BIs), and upon their removal, putting them individually into broth for incubation. This technique does not allow counting the number of microorganisms but to detect the survival of any of them and thus counting the negative/positive answers. The Poisson distribution gives the connection between the number of viable spores and the number of positive (growth) BIs. Evaluation is based on the number of surviving BIs, which is probabilistic by nature. Acceptance limits are based on good engineering assumptions (“current industrial experience”), not on sound decision theory statistics (probability of error of the first and second kind). The reason of existence of surviving BI is either the process lethality failure or the limited penetrative capability of vaporous hydrogen peroxide. The latter phenomenon is called “rogue” BIs, and it should be distinguished. The method of the evaluation of the success of the decontamination is consistent with attribute sampling plans. In this paper, relations are explored to calculate the 2 types of error that can be applied in general during the qualification of a bio‐decontamination procedure. This is, to the best knowledge of the authors, the first ever application of attribute sampling plans to evaluate the results of a BI used bio‐decontamination process.
Finely Controlled Stepwise Engineering of Pore Environments and Mechanistic Elucidation of Water‐Stable, Flexible 2D Porous Coordination Polymers
Authors: Wang Haijun , Cao Haifei , Zheng Jia‐jia , Mathew Simon , Hosono Nobuhiko , Zhou Bihang , Lyu Hongliang , Kusaka Shinpei , Jin Wanqin , Kitagawa Susumu , Duan Jingui
Published: February 2018

Two porous coordination polymers (PCPs) with different topologies (NTU‐19: sql and NTU‐20: dia) underwent finely controlled, stepwise crystal conversions to yield a common water‐stable, flexible 2D framework (NTU‐22: kgm). The crystal conversions occurred directly at higher temperature via the 3D intermediate (NTU‐21: nbo), which could be observed at lower temperature. The successful isolation of the intermediate product of NTU‐21, characterization with in situ PXRD and UV/Vis spectra were combined with DFT calculations to allow an understanding of the dynamic processes at the atomic level. Remarkably, breakthrough experiments demonstrate NTU‐22 with integral structural properties allowed significant CO2/CH4 mixture separation.
Spectroscopic Studies on Photoinduced Reactions of the Anticancer Prodrug, trans,trans,trans‐[Pt(N3)2(OH)2(py)2]
Authors: Vernooij Robbin R. , Joshi Tanmaya , Horbury Michael D. , Graham Bim , Izgorodina Ekaterina I. , Stavros Vasilios G. , Sadler Peter J. , Spiccia Leone , Wood Bayden R.
Published: February 2018

Invited for the cover of this issue are the groups of Peter J. Sadler at the University of Warwick and Bayden R. Wood at Monash University. The image depicts a platinum(IV) anticancer prodrug, the light‐activated release of its hydroxide and azide ligands, and reduction to platinum(II) as detected by our global collaboration using infrared spectroscopy combined with a range of other methods. Read the full text of the article at https://doi.org/10.1002/chem.201705349.
Modifying oligoalanine conformation by replacement of amide to ester linkage
Authors: Hongen Takahiro , Taniguchi Tohru , Monde Kenji
Published: February 2018

Oligo(lactic acid) is an ester‐analogue of short oligoalanine sequence and adopts a rigid left‐handed helical structure. In this study, oligo(lactic acid) was incorporated into oligoalanine sequences and their conformations were studied by vibrational circular dichroism and electronic circular dichroism spectroscopy. The results suggested that oligo(lactic acid) moiety in these sequences maintains a left‐handed helix and increases the conformational propensity of the oligoalanine moiety to form a left‐handed polyproline type II‐like helix. The importance of the chirality of oligo(lactic acid) moiety for the oligoalanine conformation was also studied. The results obtained in this study should be useful in developing ester‐containing oligopeptides that function better than normal peptides.
Enhanced Charge Transfer, Transport and Photovoltaic Efficiency in All‐Polymer Organic Solar Cells by Polymer Backbone Fluorination
Authors: Sun Jianxia , Jin Feng , Zhao Haibin , Yuan Jianyu , Ma Wanli
Published: February 2018

We successfully designed and synthesized two BDT‐BT‐T (BDT=benzo[1,2‐b:4,5‐b']dithiophene, BT‐T=4,7‐dithien‐2‐yl‐2,1,3‐benzothiadiazole) based polymers as the electron donor for application in all‐polymer solar cells (all‐PSCs). By adopting N2200 as the electron acceptor, we systematically investigated the impact of fluorination on the charge transfer, transport, blend morphology and photovoltaic properties of the relevant all‐PSCs. A best power conversion efficiency (PCE) of 3.4% was obtained for fluorinated PT‐BT2F/N2200 (BT2F=difluorobenzo[c][1,2,5]thiadiazole) all‐PSCs in comparison with that of 2.7% in non‐fluorinated PT‐BT/N2200 (BT=benzothiadiazole) based device. Herein, all‐polymers blends adopting either non‐fluorinated PT‐BT or fluorinated PT‐BT2F exhibit similar morphology features. In depth optical spectrum measurements demonstrate that molecular fluorination can further enhance charge transfer between donor and acceptor polymer. Moreover, all‐polymer blends exhibit improved hole mobilities and more balanced carriers transport when adopting fluorinated donor polymer PT‐BT2F. Therefore, although the PCE is relatively low, our findings may become important in understanding how subtle changes in molecular structure impact relevant optoelectronic properties and further improve the performance of all‐PSCSs.
Seascape models reveal places to focus coastal fisheries management
Authors: Stamoulis Kostantinos A. , Delevaux Jade M. S. , Williams Ivor D. , Poti Matthew , Lecky Joey , Costa Bryan , Kendall Matthew S. , Pittman Simon J. , Donovan Mary K. , Wedding Lisa M. , Friedlander Alan M.
Published: February 2018

To design effective marine reserves and support fisheries, more information on fishing patterns and impacts for targeted species is needed, as well as better understanding of their key habitats. However, fishing impacts vary geographically and are difficult to disentangle from other factors that influence targeted fish distributions. We developed a set of fishing effort and habitat layers at high resolution and employed machine learning techniques to create regional‐scale seascape models and predictive maps of biomass and body length of targeted reef fishes for the main Hawaiian Islands. Spatial patterns of fishing effort were shown to be highly variable and seascape models indicated a low threshold beyond which targeted fish assemblages were severely impacted. Topographic complexity, exposure, depth, and wave power were identified as key habitat variables that influenced targeted fish distributions and defined productive habitats for reef fisheries. High targeted reef fish biomass and body length were found in areas not easily accessed by humans, while model predictions when fishing effort was set to zero showed these high values to be more widely dispersed among suitable habitats. By comparing current targeted fish distributions with those predicted when fishing effort was removed, areas with high recovery potential on each island were revealed, with average biomass recovery of 517% and mean body length increases of 59% on Oahu, the most heavily fished island. Spatial protection of these areas would aid recovery of nearshore coral reef fisheries.
Feasibility of a parent education and skills workshop for improving response to family‐based treatment of adolescent anorexia nervosa
Authors: Ganci Maria , Pradel Martin , Hughes Elizabeth K.
Published: February 2018

Objective

Early response to family‐based treatment (FBT) is a robust predictor of positive outcomes for adolescents with anorexia nervosa (AN). We introduced a parent education and skills workshop in the first 4 weeks of treatment with the aim of improving changes in parent self‐efficacy in FBT and, in turn, patient weight gain.

Method

Forty‐five families who had at least one parent attend the workshop were compared to a matched control of families who did FBT before the workshop was introduced.

Results

Among adolescents who were underweight at baseline, weight gain by Week 4 of treatment was higher for adolescents whose parents attended the workshop (M = 90.84% median BMI) than those who did not (M = 88.54% mBMI, p < .05). There was no significant difference in weight at Week 12 or at end of treatment, nor was there a difference in self‐efficacy as measured by the Parent Versus Anorexia Scale. Participants reported a high level of satisfaction with the workshop and significant improvements in knowledge and confidence.

Discussion

Overall, the workshop was a feasible adjunct for improving early response to FBT.
Regulating Noncovalent Interactions in Amino‐Amide–Copper Complexes
Authors: Lechuga‐Islas Víctor , Tlahuext Hugo , Falcón‐León Martha P. , Sánchez‐De Jesús Félix , Moo‐Puc Rosa E. , Chale‐Dzul Juan B. , Tapia‐Benavides Antonio R. , Tlahuextl Margarita
Published: February 2018

The relevance of intermolecular noncovalent Cl···Cu interactions in the magnetic and biological behavior of copper complexes derived from amino amides is studied. Crystallography studies show that these complexes tend to stack, favoring noncovalent interactions (hydrogen bonding and Cu···Cl). However, the presence of substituents at the C10 and C13 positions regulates the supramolecular structures in 2. Thus, magnetic studies at 93, 293, and 353 K demonstrate that magnetic exchange is favored only by Cu–Cl···Cu interactions. Moreover, biological studies show that only those copper complexes with ferromagnetic behavior present cytotoxic activity. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) computations are used to corroborate the presence of the noncovalent interactions.
Highly Selective Syn Addition of 1,3‐Diones to Internal Ynamides Catalyzed by Zinc Iodide
Authors: Plamont Rémi , Graux Lionel V. , Clavier Hervé
Published: February 2018

1,3‐Diones are already established as nucleophiles to perform additions to ynamides; the highly selective hydroalkoxylation of internal ynamides is now described. Several catalytic systems have been compared to perform this transformation, including transition‐metal‐based catalysts and Lewis acids. ZnI2 was found to be both very active and highly selective providing only E adducts through a syn addition. Investigation of the scope and limitations showed that this catalyst was compatible with various functional groups. In addition to seventeen examples of ynamide hydroalkoxylation, one example of ynamide hydroarylation is reported.
Synthesis of α‐Fluorinated Acrylates by a Palladium‐Catalyzed Decarboxylative Olefination Reaction
Authors: Bouazzaoui Ouafa , Rousée Kevin , Mulengi Joseph Kajima , Pannecoucke Xavier , Bouillon Jean‐Philippe , Couve‐Bonnaire Samuel
Published: February 2018

Ligand‐free palladium‐catalyzed subsequent decarboxylation/olefination reaction between 2‐fluorinated acrylates and benzoic acids is reported. Valuable trisubstituted 2‐fluoroacrylates and 2‐trifluoromethylacrylates were produced in low to excellent yields, which constitutes a new interesting greener synthetic alternative to these fluorinated molecules.
Thermal Ring Expansion of 2‐Sulfonylimidoyl‐1‐phthalimidoaziridines into N‐Sulfonylimidazoles
Authors: Stukalov Aleksandr , Suslonov Vitalii V. , Kuznetsov Mikhail A.
Published: February 2018

The oxidative phthalimidoaziridination of conjugated unsaturated N‐sulfonylimines leads, in most cases, to di‐substituted, tri‐substituted and spiro‐fused imidoylaziridines in synthetically useful yields typically above 70 %. The latter are thermally transformed into di‐substituted, tri‐substituted, and condensed N‐sulfonylimidazoles. Interestingly, this ring expansion is accompanied by an intramolecular 1,3‐sulfonyl shift from one nitrogen atom to another.
Synthesis of Phenanthrenes through Visible‐Light Photoredox Catalyzed Intramolecular Cyclization of α‐Bromochalcones
Authors: Nagode Savita B. , Kant Ruchir , Rastogi Namrata
Published: February 2018

A mild and efficient photocatalytic protocol for the synthesis of the phenanthrene scaffold has been devised. The reaction involves intramolecular cyclization of α‐keto vinyl radicals generated from α‐bromochalcones under visible light photoredox catalyzed (VLPC) conditions. The high product yields, wide substrate scope, and complete regioselectivity are notable attributes of the reaction.
Electrochemical Detection of Acetaminophen with Silicon Nanowires
Authors: Pandey Raja Ram , Alshahrani Hussain S. , Krylyuk Sergiy , Williams Elissa H. , Davydov Albert V. , Chusuei Charles C.
Published: February 2018

Acetaminophen (APAP) is an antipyretic, analgesic agent, the overdose of which during medical treatment poses a risk for liver failure. Hence, it is important to develop methods to monitor physiological APAP levels to avoid poisoning. Here, we report an efficient, selective electrochemical APAP sensor made from depositing silicon nanowires (SiNWs) onto glassy carbon electrodes (GCEs). Electrocatalytic activity of the SiNW/GCE sensors was monitored under varying pH and concentrations of APAP using cyclic voltammetry (CV) and chronoamperometry (CA). CV of the SiNWs at 0.5 to 13 mmol dm−3 APAP concentrations was used to determine the oxidation and reduction potentials of APAP. The selective detection of APAP was then demonstrated using CA at +0.568 V vs Ag/AgCl, where APAP is fully oxidized, in the 0.01 to 3 mmol dm−3 concentration range with potentially‐interfering analytes. The SiNW sensor has the ability to detect APAP well within the detection limits for APAP toxicity, showing promise as a practical biosensor.
Updates on resources, software tools, and databases for plant proteomics in 2016–2017
Authors: Misra Biswapriya B.
Published: February 2018

Proteomics data processing, annotation, and analysis can often lead to major hurdles in large‐scale high‐throughput bottom‐up proteomics experiments. Given the recent rise in protein‐based big datasets being generated, efforts in in silico tool development occurrences have had an unprecedented increase; so much so, that it has become increasingly difficult to keep track of all the advances in a particular academic year. However, these tools benefit the plant proteomics community in circumventing critical issues in data analysis and visualization, as these continually developing open‐source and community‐developed tools hold potential in future research efforts. This review will aim to introduce and summarize more than 50 software tools, databases, and resources developed and published during 2016–2017 under the following categories: tools for data pre‐processing and analysis, statistical analysis tools, peptide identification tools, databases and spectral libraries, and data visualization and interpretation tools. Intended for a well‐informed proteomics community, finally, efforts in data archiving and validation datasets for the community will be discussed as well. Additionally, the author delineates the current and most commonly used proteomics tools in order to introduce novice readers to this ‐omics discovery platform.
Accelerated SDS depletion from proteins by transmembrane electrophoresis: Impacts of Joule heating
Authors: Unterlander Nicole , Doucette Alan Austin
Published: February 2018

SDS plays a key role in proteomics workflows, including protein extraction, solubilization and mass‐based separations (e.g. SDS‐PAGE, GELFrEE). However, SDS interferes with mass spectrometry and so it must be removed prior to analysis. We recently introduced an electrophoretic platform, termed transmembrane electrophoresis (TME), enabling extensive depletion of SDS from proteins in solution with exceptional protein yields. However, our prior TME runs required 1 h to complete, being limited by Joule heating which causes protein aggregation at higher operating currents. Here, we demonstrate effective strategies to maintain lower TME sample temperatures, permitting accelerated SDS depletion. Among these strategies, the use of a magnetic stir bar to continuously agitate a model protein system (BSA) allows SDS to be depleted below 100 ppm (>98% removal) within 10 min of TME operations, while maintaining exceptional protein recovery (>95%). Moreover, these modifications allow TME to operate without any user intervention, improving throughput and robustness of the approach. Through fits of our time‐course SDS depletion curves to an exponential model, we calculate SDS depletion half‐lives as low as 1.2 min. This promising electrophoretic platform should provide proteomics researchers with an effective purification strategy to enable MS characterization of SDS‐containing proteins.
High throughput image cytometry micronucleus assay to investigate the presence or absence of mutagenic effects of cold physical plasma
Authors: Bekeschus Sander , Schmidt Anke , Kramer Axel , Metelmann Hans‐Robert , Adler Frank , von Woedtke Thomas , Niessner Felix , Weltmann Klaus‐Dieter , Wende Kristian
Published: February 2018

Promising cold physical plasma sources have been developed in the field of plasma medicine. An important prerequisite to their clinical use is lack of genotoxic effects in cells. During optimization of one or even different plasma sources for a specific application, large numbers of samples need to be analyzed. There are soft and easy‐to‐assess markers for genotoxic stress such as phosphorylation of histone H2AX (γH2AX) but only few tests are accredited by the OECD with regard to mutagenicity detection. The micronucleus (MN) assay is among them but often requires manual counting of many thousands of cells per sample under the microscope. A high‐throughput MN assay is presented using image flow cytometry and image analysis software. A human lymphocyte cell line was treated with plasma generated with ten different feed gas conditions corresponding to distinct reactive species patterns that were investigated for their genotoxic potential. Several millions of cells were automatically analyzed by a MN quantification strategy outlined in detail in this work. Our data demonstrates the absence of newly formed MN in any feed gas condition using the atmospheric pressure plasma jet kINPen. As positive control, ionizing radiation gave a significant 5‐fold increase in micronucleus frequency. Thus, this assay is suitable to assess the genotoxic potential in large sample sets of cells exposed chemical or physical agents including plasmas in an efficient, reliable, and semiautomated manner. Environ. Mol. Mutagen. 59:268–277, 2018. © 2018 Wiley Periodicals, Inc.
Quality of life during the first year after partial laryngectomy: Longitudinal study
Authors: Clasen Daniel , Keszte Judith , Dietz Andreas , Oeken Jens , Meister Eberhard F. , Guntinas‐Lichius Orlando , Pabst Friedemann , Büntzel Jens , Jenzewski Eva‐Maria , Singer Susanne , Meyer Alexandra
Published: February 2018

Background

This prospective study was conducted to assess changes in quality of life (QOL) of patients who undergo a partial laryngectomy.

Methods

The European Organisation for Research and Treatment of Cancer Quality of Life Questionnaires Core and Head and Neck (EORTC‐QLQ‐C30, QLQ‐H&N35) were used preprocedure (n = 218), 1 week (n = 159), 3 months (n = 122), and 1 year after partial laryngectomy (n = 88). Changes over time were analyzed with the Wilcoxon signed rank test and the Holm‐Bonferroni method, and interpreted regarding clinical relevance.

Results

Most subscales worsened 1 week postprocedure, but many recovered to baseline level after 1 year. Dyspnea and cognitive functioning deteriorated over time, with worst scores recorded after 1 year. Financial difficulties and fatigue increased after surgery and maintained that level throughout the follow‐up period; sticky saliva remained worse than at baseline, despite some improvements over time.

Conclusion

The discovered limitations of QOL should be observed more closely during follow‐up treatment, and patients should be informed about these potential effects before partial laryngectomy.
Thyroidectomy in patients who have undergone gastric bypass surgery
Authors: Goldenberg David , Ferris Robert L. , Shindo Maisie L. , Shaha Ashok , Stack Brendan , Tufano Ralph P.
Published: February 2018

Background

Morbid obesity is a chronic condition that may be challenging to treat. Gastric bypass surgery is used to treat morbid obesity and its complications. Hypocalcemia, a known complication after thyroidectomy, is usually transient and treatable. There is a growing body of literature indicating that patients with previous gastric bypass surgery are at an increased risk for recalcitrant, symptomatic hypocalcemia after thyroidectomy. The management of hypocalcemia in patients with prior gastric bypass surgery may be exceedingly difficult.

Methods

Relevant articles published between 2008 and January 2017 were reviewed by topic. The review of literature was conducted using a systematic search of database resources, such as PubMed and EMBASE.

Results

Prior gastric bypass surgery may be an independent risk factor for developing profound hypocalcemia after thyroid surgery.

Conclusion

Refractory hypocalcemia in patients who have undergone gastric bypass surgery is underreported. Careful consideration should be given to performing staged thyroidectomy and, in some cases, reversal of the bariatric surgery.