bluuebunny/crossref_metadata_2025 huggingface dataset:
A Comprehensive Study of the Interaction between Peptidoglycan Fragments and the Extracellular Domain of Mycobacterium tuberculosis Ser/Thr Kinase PknB
Authors: Wang Qianqian , Marchetti Roberta , Prisic Sladjana , Ishii Kentaro , Arai Yohei , Ohta Ippei , Inuki Shinsuke , Uchiyama Susumu , Silipo Alba , Molinaro Antonio , Husson Robert N. , Fukase Koichi , Fujimoto Yukari
Published: August 2017

The Mycobacterium tuberculosis Ser/Thr kinase PknB is implicated in the regulation of bacterial cell growth and cell division. The intracellular kinase function of PknB is thought to be triggered by peptidoglycan (PGN) fragments that are recognized by the extracytoplasmic domain of PknB. The PGN in the cell wall of M. tuberculosis has several unusual modifications, including the presence of N‐glycolyl groups (in addition to N‐acetyl groups) in the muramic acid residues and amidation of d‐Glu in the peptide chains. Using synthetic PGN fragments incorporating these diverse PGN structures, we analyzed their binding characters through biolayer interferometry (BLI), NMR spectroscopy, and native mass spectrometry (nMS) techniques. The results of BLI showed that muropeptides containing 1,6‐anhydro‐MurNAc and longer glycan chains exhibited higher binding potency and that the fourth amino acid of the peptide stem, d‐Ala, was crucial for protein recognition. Saturation transfer difference (STD) NMR spectroscopy indicated the major involvement of the stem peptide region in the PASTA‐PGN fragment binding. nMS suggested that the binding stoichiometry was 1:1. The data provide the first molecular basis for the specific interaction of PGN with PknB and firmly establish PGNs as the effective ligands of PknB.
Macrophage migration inhibitory factor (MIF) promotes rat airway muscle cell proliferation and migration mediated by ERK1/2 and FAK signaling
Authors: Lan Haibing , Wang Nan , Chen Yu , Wang Xiaojing , Gong Yuanqi , Qi Xiefei , Luo Yaling , Yao Fang
Published: August 2017

Macrophage migration inhibitory factor (MIF) is an inflammatory mediator that contributes to asthmatic airway remodeling; however, little is known regarding the effects of MIF on airway smooth muscle cells (ASMCs). In the present study, we found that an enhanced expression of MIF promoted ASMC proliferation, increased the population of cells in the S/G2 phase, downregulated P21 expression, and upregulated cyclin D1, cyclin D3, and Cdk6 expression. In addition, the apoptosis of ASMCs was significantly decreased in response to MIF overexpression, compared with the negative control. Moreover, MIF facilitated the migration of ASMCs by upregulating the expression of matrix metalloproteinase (MMP)‐2. Finally, we showed that MIF increased the phosphorylation of extracellular regulated protein kinases (ERK) 1/2 and focal adhesion kinase (FAK), which are associated with proliferation and migration. In conclusion, this study demonstrated that MIF overexpression promotes the proliferation and migration of ASMCs by upregulating the activity of the ERK1/2 and FAK signaling pathways in these cells, further indicating that inhibition of MIF may prove to be an effective strategy for treating asthma patients with airway remodeling.
Phosphate Functionalization of CeO2–ZrO2 Solid Solutions for the Catalytic Formation of Dimethyl Carbonate from Methanol and Carbon Dioxide
Authors: Prymak Iuliia , Prymak Oleg , Wang Junhui , Kalevaru Venkata Narayana , Martin Andreas , Bentrup Ursula , Wohlrab Sebastian
Published: August 2017

Phosphate surface groups on CeO2–ZrO2 solid solutions were generated by treating Ce–Zr–hydroxide precursors with phosphoric acid. In the catalytic formation of dimethyl carbonate (DMC) from methanol and CO2, the performance of the P‐modified samples was markedly affected relative to that of the unmodified ones: Phosphate treatment caused remarkable changes in the phase composition, acid–base properties, and the ability to form monodentate methoxy intermediates. The DMC yield (1.6 %) was successfully improved from 0.24 to 1.6 % by phosphate modification of CeO2–ZrO2 (Ce/Zr=4.7, P/Zr=0.13) and by performing the reaction at 170 °C and 6.5 MPa for 1 h.
Chemometrics optimization for simultaneous adsorptive removal of ternary mixture of Cu(II), Cd(II), and Pb(II) by Fraxinus tree leaves
Authors: Zolgharnein Javad , Shahmoradi Ali , Bagtash Maryam , Frahani Saeideh Dermanaki , Zolgharnein Peyman
Published: August 2017

Fraxinus tree leaves were successfully used to remove ternary mixture of Cu(II), Cd(II), and Pb(II) from an aqueous solution in a batch system. The simplex‐centroid mixture design was used for optimization of the biosorption process. The effective factors on biosorption process, such as pH, s (amount of biosorbent), and Ci initial concentrations of metal ions, were considered via a crossed mixture–process design. Optimal conditions were found to be as follows: pH = 5, s (sorbent mass) = 0.05 g, CCu (initial Cu(II) concentration) = 100.0 mg/L, CCd (Initial Cd(II) concentration) = 129.1 mg/L, and CPb (Initial Pb(II) concentration) = 70.9 mg/L. The results clearly show competitive effects between mixture ingredients in favor of Pb(II), and also an interaction between process and mixture variables was observed. It was found that, with increasing Pb(II) contribution, the removal efficiency increases to its highest value. The pH has a positive effect and sorbent mass a negative effect on the response. To characterize the biosorption, Fourier transform infrared analysis was performed and, according to the results, the main functional groups of sorbent were involved in the biosorption process.
Coordinatively Labile 18‐Electron Arene Ruthenium Iminophosphonamide Complexes
Authors: Sinopalnikova Iana S. , Peganova Tat'yana A. , Novikov Valentin V. , Fedyanin Ivan V. , Filippov Oleg A. , Belkova Natalia V. , Shubina Elena S. , Poli Rinaldo , Kalsin Alexander M.
Published: August 2017

The thermodynamics of chloride dissociation from the 18e arene ruthenium iminophosphonamides [(η6‐arene)RuCl{(R′N)2PR2}] (1 a–d) [previously known with arene=C6Me6, R=Ph, R′=p‐Tol (a); R=Et, R′=p‐Tol (b); R=Ph, R′=Me (c); and new with arene=p‐cymene, R=Ph, R′=p‐Tol (d)] was assessed in both polar and apolar solvents by variable‐temperature UV/Vis, NMR, and 2D EXSY 1H NMR methods, which highlighted the influence of the NPN ligand on the equilibrium parameters. The dissociation enthalpy ΔHd decreases with increasing electron‐donating ability of the N‐ and P‐substituents (1 a, 1 d>1 b>1 c) and solvent polarity, and this results in exothermic spontaneous dissociation of 1 c in polar solvents. The coordination of neutral ligands (MeCN, pyridine, CO) to the corresponding 16e complexes [(η6‐arene)Ru{(R′N)2PR2}]+PF6− (2 a–d) is reversible; the stability of the 2⋅L adducts depends on the π‐accepting ability of L. Carbonylation of 2 a and 2 d resulted in rare examples of cationic arene ruthenium carbonyl complexes (3 a, 3 d), while the monocarbonyl adduct derived from 2 c reacts further with a second equivalent of CO with conversion to carbonyl‐carbamoyl complex 3 c, in which one CO molecule is inserted into the Ru−N bond. The new complexes 1 d, 2 d, 3 a, 3 c, and 3 d were isolated and structurally characterized.
Mechanistic Study on Nickel‐Catalyzed Silylation of Aryl Methyl Ethers
Authors: Wang Bing , Zhang Qi , Jiang Julong , Yu Haizhu , Fu Yao
Published: August 2017

The mechanism of the nickel‐catalyzed silylation of aryl methyl ethers has been systematically investigated by using DFT methods. This theoretical study supports a catalytic cycle that involves the formation of a nickel–silyl complex, C−O bond cleavage, C−Si reductive elimination, the addition of methoxide to boron, and finally regeneration of the catalyst. Notably, it was found that activation of the C−O bond proceeded through an oxidative addition pathway with a three‐centered transition state. The silyl anion generated in situ works as a ligand to the nickel center and promotes this process. Meanwhile, the role of the base added (KOtBu) is also elucidated. The potassium cation helps to stabilize the oxidative addition transition state through noncovalent interactions, while the resting state is destabilized due to steric repulsion introduced by the tert‐butoxide anion. This is further confirmed by a comparison made computationally between the reaction with KOtBu and that with KOMe or NaOtBu as the base.
Solvent‐Sensitive Emitting Urea‐Bridged bis‐BODIPYs: Ready Access by a One‐Pot Tandem Staudinger/Aza‐Wittig Ureation
Authors: Cristóbal López J. , del Rio Mayca , Oliden Ainhoa , Bañuelos Jorge , López‐Arbeloa Iñigo , García‐Moreno Inmaculada , Gómez Ana M.
Published: August 2017

Herein we describe the synthesis, and computationally aided photophysical characterization of a new set of urea‐bridged bis‐BODIPY derivatives. These new dyads are efficiently obtained by a one‐pot tandem Staudinger/aza‐Wittig ureation protocol, from easily accessible meso‐phenyl ortho‐azidomethyl BODIPYs. These symmetric bis‐BODIPYs outstand by a high absorption probability and excellent fluorescence and laser emission in less polar media. Nevertheless, this emission ability decreases in more polar media, which is ascribed to a light‐induced charge‐transfer from the urea spacer to the dipyrrin core, a process that can be modulated by appropriate changes in the substitution pattern of the BODIPY core. Furthermore, this ureation protocol can also be employed for the direct conjugation of our BODIPY‐azides to amine‐containing compounds, thus providing access to fluorescent non‐symmetric ureas.
Topological Defects in Hyperbranched Glycopolymers Enhance Binding to Lectins
Authors: Salvadó Míriam , Reina José J. , Rojo Javier , Castillón Sergio , Boutureira Omar
Published: August 2017

Central scaffold topology and carbohydrate density are important features in determining the binding mechanism and potency of synthetic multivalent of poly‐ versus monodisperse carbohydrate systems against a model plant toxin (Ricinus communis agglutinin (RCA120)). Lower densities of protein receptors favour the use of heterogeneous, polydisperse glycoconjugate presentations, as determined by surface plasmon resonance and dynamic light scattering.
Gold(I) Metallo‐Tweezers for the Recognition of Functionalized Polycyclic Aromatic Hydrocarbons by Combined π–π Stacking and H‐Bonding
Authors: Biz Chiara , Ibáñez Susana , Poyatos Macarena , Gusev Dmitry , Peris Eduardo
Published: August 2017

Two gold(I)‐based metallo‐tweezers with bis(Au−NHC) pincers and a carbazole connector have been obtained and used for the recognition of polycyclic aromatic hydrocarbons (PAHs). In the case of the tweezer with pyrene–NHC ligands, the presence of the pyrene fragment and the N−H bond in the carbazole linker enable the receptor to show significant enhanced binding abilities toward PAHs functionalized with H‐bonding groups, through combined π–π stacking and H‐bonding.
Development of a Diversity‐Preserving Strategy for the Pareto Optimization in Chemical Process Design
Authors: Zimmermann Kristina , Fieg Georg
Published: August 2017

The simulation‐based design of chemical processes with an overlaid multi‐objective optimization is of growing importance. The quality of the determined optimization results, referred to as the Pareto front, influences directly the variety of solutions given to the decision maker. In case of the frequently used genetic algorithms, a lot of studies have been done for a precise approximation of the Pareto front. However, most of the developed methods are inconvenient and/or time‐consuming and, thus, inappropriate for industrial applications. A novel approach, the two‐step optimization, was successfully tested in order to overcome these challenges.
Changing psychosocial determinants of physical activity and diet in women with a history of gestational diabetes mellitus
Authors: Jelsma Judith G.M. , van Poppel Mireille N.M. , Smith Ben J. , Cinnadaio Nancy , Bauman Adrian , Tapsell Linda , Cheung N. Wah , van der Ploeg Hidde P.
Published: August 2017

Background

To investigate how a behavioural lifestyle intervention influences psychosocial determinants of physical activity and dietary behaviours in a population at risk of type 2 diabetes (T2DM).

Methods

Fifty‐nine women with a body mass index of ≥25 kg/m2 and a history of gestational diabetes mellitus (GDM) participated in a randomized controlled study. The intervention group (n = 29) received 2 face‐to‐face and 5 telephone lifestyle‐counselling sessions with a health professional. The control group (n = 30) received care as usual. At baseline and 6 months, psychosocial determinants related to physical activity and diet were measured with a self‐administrated questionnaire. Linear regression analyses were applied to test for intervention effects.

Results

The intervention was effective in improving social support (β = 3.5, P < 0.001; β = 2.1, P = 0.02), modifying self‐efficacy (β = ‐2.2, P = 0.02; β = ‐4.3, P < 0.001), and reducing barriers (β = ‐3.5, P = 0.01; β = ‐3.8, P = 0.01) for, respectively, physical activity and diet from baseline to 6‐month follow‐up in the intervention group compared with the control group. The intervention reduced the following barriers to a physically active lifestyle: lack of energy and lack of motivation. Physical activity barriers like lack of time and lack of childcare were unchanged. The intervention reduced the following barriers to a healthy diet: lack of time, costs, having unhealthy snacks at home, and having cravings for sweets.

Conclusion

This lifestyle intervention influenced psychosocial determinants relevant for overweight women with a history of gestational diabetes mellitus (GDM) in prevention of T2DM.
Diabetes primary prevention program: New insights from data analysis of recruitment period
Authors: Gagliardino Juan J. , Elgart Jorge F. , Bourgeois Marcelo , Etchegoyen Graciela , Fantuzzi Gabriel , Ré Matías , Ricart Juan P. , García Silvia , Giampieri Cecilia , González Lorena , Suárez‐Crivaro Florencia , Kronsbein Peter , Angelini Julieta M. , Martínez Camilo , Martínez Jorge , Ricart Alberto , Spinedi Eduardo
Published: August 2017

Background

Primary Prevention of Diabetes Program in Buenos Aires Province evaluates the effectiveness of adopting healthy lifestyle to prevent type 2 diabetes (T2D) in people at high risk of developing it. We aimed to present preliminary data analysis of FINDRISC and laboratory measurements taken during recruitment of people for the Primary Prevention of Diabetes Program in Buenos Aires Province in the cities of La Plata, Berisso, and Ensenada, Argentina.

Methods

People were recruited through population approach (house‐to‐house survey by FINDRISC in randomized areas) and opportunistic approach (FINDRISC completed by participants during consultations for nonrelated prediabetes/diabetes symptoms in public and private primary care centres of cities involved). In people with FINDRISC score ≥ 13 points, we evaluated blood concentrations of HbA1c, creatinine, lipids, and an oral glucose tolerance test (OGTT).

Results

Approximately 3415 individuals completed the FINDRISC populational survey and 344 the opportunistic survey; 43% of the 2 groups scored over 13 points; 2.8 and 75.4% of them, respectively, took the prescribed OGTT. Approximately 53.7% of the OGTT showed normal values and 5.2% unknown T2D. The remaining cases showed 69.5% impaired fasting glucose, 13.6% impaired glucose tolerance, and 16.9% both impairments. HbA1c values showed significant differences compared with normal glucose tolerance (4.96 ± 0.43%), prediabetes (5.28 ± 0.51%), and T2D (5.60 ± 0.51%). Participants with prediabetes and T2D showed a predominant increase in low‐density lipoprotein‐cholesterol values. In prediabetes, >50% showed insulin resistance.

Conclusions

People with prediabetes/T2D had dyslipidemia associated with insulin resistance, which promotes the development of T2D and cardiovascular disease. Thus, it merits its appropriate treatment.
Mesenchymal stromal cell engagement in cancer cell epithelial to mesenchymal transition
Authors: Trivanović Drenka , Krstić Jelena , Jauković Aleksandra , Bugarski Diana , Santibanez Juan F.
Published: August 2017

Due to coexistence of stromal and epithelial tumor cells, their dynamic interactions have been widely recognized as significant cellular components to the tumor tissue integrity. Initiation and outcome of epithelial to mesenchymal transition (EMT) in tumor cells are dependent on their interaction with adjacent or recruited mesenchymal stromal cells (MSCs). A plethora of mechanisms are involved in MSCs‐controlled employment of the developmental processes of EMT that contribute to loss of epithelial cell phenotype and acquisition of stemness, invasiveness and chemoresistance of tumor cells. Interplay of MSCs with tumor cells, including interchange of soluble biomolecules, plasma membrane structures, cytoplasmic content, and organelles, is established through cell–cell contact and/or by means of paracrine signaling. The main focus of this review is to summarize knowledge about involvement of MSCs in cancer cell EMT. Understanding the underlying cellular and molecular mechanism involved in the interplay between MSCs and cancer EMT is essential for development of effective therapy approaches, which in combination with current treatments may improve the control of tumor progression. Developmental Dynamics 247:359–367, 2018. © 2017 Wiley Periodicals, Inc.
Visual processing of one's own body over the course of time: Evidence for the vigilance‐avoidance theory in adolescents with anorexia nervosa?
Authors: Bauer Anika , Schneider Silvia , Waldorf Manuel , Cordes Martin , Huber Thomas J. , Braks Karsten , Vocks Silja
Published: August 2017

Objective

The vigilance‐avoidance theory postulates a specific threat‐related pattern of attention deployment, characterized by initial orientation towards fear‐evoking stimuli and subsequent directing of attention away from them. The current eye‐tracking study was the first to examine the applicability of the theory for patients with eating disorders, who perceive their own body as a highly aversive, threat‐evoking stimulus.

Method

N = 56 female adolescents with anorexia nervosa (AN) and n = 43 healthy controls (HC) aged 13‐18 viewed own‐body pictures while their eye movements were recorded. Relative fixation times on self‐defined unattractive body areas were compared between the groups by sequencing the overall presentation time of 6,000 ms into six intervals à 1,000 ms.

Results

Participants with AN showed a significantly stronger attentional bias for unattractive body areas than HC within the time intervals 1, 2, and 3. However, for intervals 4, 5, and 6, no significant group differences occurred. Within the AN group, the bias for unattractive body areas was significantly stronger in interval 1 compared to intervals 4, 5, and 6; whereas within the HC group, a stable pattern of attention deployment emerged. In AN, early attention deployment was positively correlated with the negative affect reported after photo presentation.

Discussion

The early vigilance in AN and the subsequent decrease in attention to unattractive body parts is in line with our assumptions. However, no indication of attentional avoidance was found. The current findings partially support the vigilance‐avoidance theory for the exposure to one's own body in adolescents with AN.
Adipose‐tissue regulatory T cells: Critical players in adipose‐immune crosstalk
Authors: Becker Maike , Levings Megan K. , Daniel Carolin
Published: August 2017

Obesity and type‐2 diabetes (T2D) are associated with metabolic defects and inflammatory processes in fat depots. FoxP3+ regulatory T cells (Tregs) control immune tolerance, and have an important role in controlling tissue‐specific inflammation. In this mini‐review we will discuss current insights into how cross‐talk between T cells and adipose tissue shapes the inflammatory environment in obesity‐associated metabolic diseases, focusing on the role of CD4+T cells and Tregs. We will also highlight potential opportunities for how the immunoregulatory properties of Tregs could be harnessed to control inflammation in obesity and T2D and emphasize the critical need for more research on humans to establish mechanisms that are conserved in both mice and humans.
Anti‐interleukin‐6 signalling therapy rebalances the disrupted cytokine production of B cells from patients with active rheumatoid arthritis
Authors: Fleischer Sarah , Ries Stefanie , Shen Ping , Lheritier Alix , Cazals Frédéric , Burmester Gerd. R. , Dörner Thomas , Fillatreau Simon
Published: August 2017

Rheumatoid arthritis (RA) is associated with abnormal B cell‐functions implicating antibody‐dependent and ‐independent mechanisms. B cells have emerged as important cytokine‐producing cells, and cytokines are well‐known drivers of RA pathogenesis. To identify novel cytokine‐mediated B‐cell functions in RA, we comprehensively analysed the capacity of B cells from RA patients with an inadequate response to disease modifying anti‐rheumatic drugs to produce cytokines in comparison with healthy donors (HD). RA B cells displayed a constitutively higher production of the pathogenic factors interleukin (IL)‐8 and Gro‐α, while their production of several cytokines upon activation via the B cell receptor for antigen (BCR) was broadly suppressed, including a loss of the expression of the protective factor TRAIL, compared to HD B cells. These defects were partly erased after treatment with the IL‐6‐signalling inhibitor tocilizumab, indicating that abnormal IL‐6 signalling contributed to these abnormalities. Noteworthy, the clinical response of individual patients to tocilizumab therapy could be predicted using the amounts of MIP‐1β and β‐NGF produced by these patients’ B cells before treatment. Taken together, our study highlights hitherto unknown abnormal B‐cell functions in RA patients, which are related to the unbalanced cytokine network, and are potentially relevant for RA pathogenesis and treatment.
Enhancing Photoelectrochemical Water Oxidation Efficiency of WO3/α‐Fe2O3 Heterojunction Photoanodes by Surface Functionalization with CoPd Nanocrystals
Authors: Davi Martin , Ogutu George , Schrader Felix , Rokicinska Anna , Kustrowski Piotr , Slabon Adam
Published: August 2017

Sunlight can be used to split water into hydrogen and oxygen by means of a photoelectrochemical (PEC) cell. Oxide nanostructures in heterojunction geometry, consisting of anisotropic WO3 nanostructures coated with a second semiconductor having a narrower band gap, such as α‐Fe2O3, have emerged as prospective photoanodes. Herein, the integration of monodisperse CoPd nanocrystals (NCs) with α‐Fe2O3 and WO3/α‐Fe2O3 heterojunction semiconductor nanostructures for PEC water oxidation is reported. Depositing CoPd NCs on the surface of hematite leads to more stable photocurrent in comparison to the bare electrode, which indicates improved electron–hole separation at the semiconductor/electrolyte interface. Altering the surface of WO3/α‐Fe2O3 photoanodes with CoPd NCs induces a cathodic shift of the onset potential and increases photocurrent density from 0.15 to 0.5 mA cm–2 during water oxidation at 1.23 V versus RHE under AM 1.5 G illumination (pH 7).
Silkworm (Bombyx mori) has the Capability to Accumulate C20 and C22 Polyunsaturated Fatty Acids
Authors: Yu Xin‐Bo , Shen Yi‐Yong , Cui Qing‐Mei , Chen Yu , Sun Wei , Huang Xian‐Zhi , Zhu Yong
Published: August 2017

Bombyx mori, an insect with significant economic importance in China contains a large amount of lipids among different developmental stages, especially the pupal stage. Silkworms are fed with a base diet and fish oil supplemented diet, and the fatty acid (FA) compositions of different strains, life stages, and sexes are determined by GC‐MS. No C20 or C22 polyunsaturated fatty acids (PUFAs) are detected in silkworms fed with the base diet. Females accumulates more unsaturated fatty acids (USFAs) than males in the pupal stage, and the relative amount of USFAs decreases from the wandering stage to the moth stage, especially in females, suggesting that silkworms prefer the utilization of USFAs. In addition, when silkworms are fed with a diet supplemented with fish oil, which contained C20 and C22 PUFAs, they accumulates C20 and C22 PUFAs in proportion to the concentration of fish oil added to the diet.

Practical Applications: Currently, the main dietary source of C20 and C22 PUFAs is marine fish, however, of which the stocks are declining because of environmental pollution and overfishing. Because of its excellent capability to accumulate C20 and C22 PUFAs, silkworm could be developed as a potential new source of these long‐chain FAs by transferring ?5 and ?6 desaturases to silkworm or its primary food, mulberry.

The silkworm (Bombyx mori) can accumulate C20 and C22 polyunsaturated fatty acids (PUFAs) from diet supplemented with these PUFAs (B). The accumulation efficiency of eicosapentaenoic acid (EPA) in silkworm is particularly outstanding. This capacity may make silkworm a potential new source of C20 and C22 PUFAs.
Heterogeneous water storage and thermal regime of supraglacial ponds on debris‐covered glaciers
Authors: Watson Cameron Scott , Quincey Duncan J. , Carrivick Jonathan L. , Smith Mark W. , Rowan Ann V. , Richardson Robert
Published: August 2017

The water storage and energy transfer roles of supraglacial ponds are poorly constrained, yet they are thought to be important components of debris‐covered glacier ablation budgets. We used an unmanned surface vessel (USV) to collect sonar depth measurements for 24 ponds to derive the first empirical relationship between their area and volume applicable to the size distribution of ponds commonly encountered on debris‐covered glaciers. Additionally, we instrumented nine ponds with thermistors and three with pressure transducers, characterizing their thermal regime and capturing three pond drainage events. The deepest and most irregularly‐shaped ponds were those associated with ice cliffs, which were connected to the surface or englacial hydrology network (maximum depth = 45.6 m), whereas hydrologically‐isolated ponds without ice cliffs were both more circular and shallower (maximum depth = 9.9 m). The englacial drainage of three ponds had the potential to melt ~100 ± 20 × 103 kg to ~470 ± 90 × 103 kg of glacier ice owing to the large volumes of stored water. Our observations of seasonal pond growth and drainage with their associated calculations of stored thermal energy have implications for glacier ice flow, the progressive enlargement and sudden collapse of englacial conduits, and the location of glacier ablation hot‐spots where ponds and ice cliffs interact. Additionally, the evolutionary trajectory of these ponds controls large proglacial lake formation in deglaciating environments. Copyright © 2017 John Wiley & Sons, Ltd.
A functional U‐statistic method for association analysis of sequencing data
Authors: Jadhav Sneha , Tong Xiaoran , Lu Qing
Published: August 2017

Although sequencing studies hold great promise for uncovering novel variants predisposing to human diseases, the high dimensionality of the sequencing data brings tremendous challenges to data analysis. Moreover, for many complex diseases (e.g., psychiatric disorders) multiple related phenotypes are collected. These phenotypes can be different measurements of an underlying disease, or measurements characterizing multiple related diseases for studying common genetic mechanism. Although jointly analyzing these phenotypes could potentially increase the power of identifying disease‐associated genes, the different types of phenotypes pose challenges for association analysis. To address these challenges, we propose a nonparametric method, functional U‐statistic method (FU), for multivariate analysis of sequencing data. It first constructs smooth functions from individuals’ sequencing data, and then tests the association of these functions with multiple phenotypes by using a U‐statistic. The method provides a general framework for analyzing various types of phenotypes (e.g., binary and continuous phenotypes) with unknown distributions. Fitting the genetic variants within a gene using a smoothing function also allows us to capture complexities of gene structure (e.g., linkage disequilibrium, LD), which could potentially increase the power of association analysis. Through simulations, we compared our method to the multivariate outcome score test (MOST), and found that our test attained better performance than MOST. In a real data application, we apply our method to the sequencing data from Minnesota Twin Study (MTS) and found potential associations of several nicotine receptor subunit (CHRN) genes, including CHRNB3, associated with nicotine dependence and/or alcohol dependence.
ADAMTS‐4 in oligodendrocytes contributes to myelination with an impact on motor function
Authors: Pruvost Mathilde , Lépine Matthieu , Leonetti Camille , Etard Olivier , Naveau Mikaël , Agin Véronique , Docagne Fabian , Maubert Eric , Ali Carine , Emery Evelyne , Vivien Denis
Published: August 2017

Myelination is a late developmental process regulated by a set of inhibitory and stimulatory factors, including extracellular matrix components. Accordingly, chondroitin sulfate proteoglycans (CSPGs) act as negative regulators of myelination processes. A disintegrin and metalloproteinase with thrombospondin motifs type 4 (ADAMTS‐4) is an extracellular protease capable of degrading CSPGs. Although exogenous ADAMTS‐4 has been proven to be beneficial in several models of central nervous system (CNS) injuries, the physiological functions of endogenous ADAMTS‐4 remain poorly understood. We first used Adamts4/LacZ reporter mice to reveal that ADAMTS‐4 is strongly expressed in the CNS, especially in the white matter, with a cellular profile restricted to mature oligodendrocytes. Interestingly, we evidenced an abnormal myelination in Adamts4−/− mice, characterized by a higher diameter of myelinated axons with a shifting g‐ratio. Accordingly, lack of ADAMTS‐4 is accompanied by motor deficits and disturbed nervous electrical activity. In conclusion, we demonstrate that ADAMTS‐4 is a new marker of mature oligodendrocytes contributing to the myelination processes and thus to the control of motor capacities.
Complement 3a receptor in dorsal horn microglia mediates pronociceptive neuropeptide signaling
Authors: Doolen Suzanne , Cook Jennifer , Riedl Maureen , Kitto Kelley , Kohsaka Shinichi , Honda Christopher N. , Fairbanks Carolyn A. , Taylor Bradley K. , Vulchanova Lucy
Published: August 2017

The complement 3a receptor (C3aR1) participates in microglial signaling under pathological conditions and was recently shown to be activated by the neuropeptide TLQP‐21. We previously demonstrated that TLQP‐21 elicits hyperalgesia and contributes to nerve injury‐induced hypersensitivity through an unknown mechanism in the spinal cord. Here we determined that this mechanism requires C3aR1 and that microglia are the cellular target for TLQP‐21. We propose a novel neuroimmune signaling pathway involving TLQP‐21‐induced activation of microglial C3aR1 that then contributes to spinal neuroplasticity and neuropathic pain. This unique dual‐ligand activation of C3aR1 by a neuropeptide (TLQP‐21) and an immune mediator (C3a) represents a potential broad‐spectrum mechanism throughout the CNS for integration of neuroimmune crosstalk at the molecular level.
Mental health and retirement savings: Confounding issues with compounding interest
Authors: Bogan Vicki L. , Fertig Angela R.
Published: August 2017

The questionable ability of the U.S. pension system to provide for the growing elderly population combined with the rising number of people affected by depression and other mental health issues magnifies the need to understand how these household characteristics affect retirement. Mental health problems have a large and significant negative effect on retirement savings. Specifically, psychological distress is associated with decreasing the probability of holding retirement accounts by as much as 24 percentage points and decreasing retirement savings as a share of financial assets by as much as 67 percentage points. The magnitude of these effects underscores the importance of employer management policy and government regulation of these accounts to help ensure households have adequate retirement savings.
Ultrasonographic observations of the fetal brain in the first 100 pregnant women with Zika virus infection in Trinidad and Tobago
Authors: Sohan Karen , Cyrus Cathy A.
Published: August 2017

Objective

To evaluate the fetal brain in pregnant women infected with Zika virus in a limited‐resource setting.

Methods

In an observational study in Trinidad and Tobago, 100 pregnant women infected with Zika virus who were referred for fetal medicine services provided by a single clinician were enrolled from March 31 to September 2, 2016. Two‐dimensional ultrasonography was undertaken.

Results

The women were aged 17–41 years (mean 27.5 ± 5.7). Six cases of fetal brain abnormalities consistent with Zika infection were detected before 26 gestational weeks. The gestational period at infection and time of presentation ranged, respectively, from 7+3 to 16+0 weeks and from 23+2 to 25+5 weeks. In all cases, centiles of the biparietal diameter and head circumference decreased progressively over time to below the third centile. The skull contour appeared irregular, owing to collapse or overlap of the fetal skull bones. In four cases, brain anomalies were not obvious on the transabdominal scan but were diagnosed on the transvaginal scan. In a further two cases, brain abnormalities presented after 26 weeks of gestation.

Conclusion

Overall, 8.0% of women infected with Zika virus had fetuses with brain abnormalities suggestive of Zika congenital syndrome. Six cases were detected before 26 weeks and two cases after 26 weeks.
Current status, pitfalls and future directions in the diagnosis and therapy of lymphatic malformation
Authors: Sun Ravi W. , Tuchin Valery V. , Zharov Vladimir P. , Galanzha Ekaterina I. , Richter Gresham T.
Published: August 2017

Lymphatic malformations are complex congenital vascular lesions composed of dilated, abnormal lymphatic channels of varying size that can result in significant esthetic and physical impairment due to relentless growth. Lymphatic malformations comprised of micro‐lymphatic channels (microcystic) integrate and infiltrate normal soft tissue, leading to a locally invasive mass. Ultrasonography and magnetic resonance imaging assist in the diagnosis but are unable to detect microvasculature present in microcystic lymphatic malformations. In this review, we examine existing tools and elaborate on alternative diagnostic methods in assessing lymphatic malformations. In particular, photoacoustics, low‐toxicity nanoparticles and optical clearing can overcome existing challenges in the examination of lymphatic channels in vivo. In combination with photothermal scanning and flow cytometry, Photoacoustic techniques may provide a versatile tool for lymphatic‐related clinical applications, potentially leading to a single diagnostic and therapeutic platform to overcome limitations in current imaging techniques and permit targeted theranostics of microcystic lymphatic malformations.
Zeolite‐loaded alginate‐chitosan hydrogel beads as a topical hemostat
Authors: Fathi Parinaz , Sikorski Michael , Christodoulides Katerina , Langan Kristen , Choi Yoon Sun , Titcomb Michael , Ghodasara Anjali , Wonodi Omasiri , Thaker Hemi , Vural Mert , Behrens Adam , Kofinas Peter
Published: August 2017

Hemorrhage is the leading cause of preventable death after a traumatic injury, and the largest contributor to loss of productive years of life. Hemostatic agents accelerate hemostasis and help control hemorrhage by concentrating coagulation factors, acting as procoagulants and/or interacting with erythrocytes and platelets. Hydrogel composites offer a platform for targeting both mechanical and biological hemostatic mechanisms. The goal of this work was to develop hydrogel particles composed of chitosan, alginate, and zeolite, and to assess their potential to promote blood coagulation via multiple mechanisms: erythrocyte adhesion, factor concentration, and the ability to serve as a mechanical barrier to blood loss. Several particle compositions were synthesized and characterized. Hydrogel bead composition was optimized to achieve the highest swelling capacity, greatest erythrocyte adhesion, and minimal in vitro cytotoxicity. These results suggest a polymer hydrogel‐aluminosilicate composite material may serve as a platform for an effective hemostatic agent that incorporates multiple mechanisms of action. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1662–1671, 2018.
Mechanical, chemical and biological damage modes within head‐neck tapers of CoCrMo and Ti6Al4V contemporary hip replacements
Authors: Hall Deborah J. , Pourzal Robin , Lundberg Hannah J. , Mathew Mathew T. , Jacobs Joshua J. , Urban Robert M.
Published: August 2017

Total hip replacement (THR) failure due to mechanically assisted crevice corrosion within modular head‐neck taper junctions remains a major concern. Several processes leading to the generation of detrimental corrosion products have been reported in first generation modular devices. Contemporary junctions differ in their geometries, surface finishes, and head alloy. This study specifically provides an overview for CoCrMo/CoCrMo and CoCrMo/Ti6Al4V head‐neck contemporary junctions. A retrieval study of 364 retrieved THRs was conducted which included visual examination and determination of damage scores, as well as the examination of damage features using scanning electron microscopy. Different separately occurring or overlapping damage modes were identified that appeared to be either mechanically or chemically dominated. Mechanically dominated damage features included plastic deformation, fretting, and material transfer, whereas chemically dominate damage included pitting corrosion, etching, intergranular corrosion, phase boundary corrosion, and column damage. Etching associated cellular activity was also observed. Furthermore, fretting corrosion, formation of thick oxide films, and imprinting were observed which appeared to be the result of both mechanical and chemical processes. The occurrence and extent of damage caused by different modes was shown to depend on the material, the material couple, and alloy microstructure. In order to minimize THR failure due to material degradation within modular junctions, it is important to distinguish different damage modes, determine their cause, and identify appropriate counter measures, which may differ depending on the material, specific microstructural alloy features, and design factors such as surface topography. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1672–1685, 2018.
X‐Ray Crystal Structure of Embelin and Its DFT Scavenging of Superoxide Radical
Authors: Caruso Francesco , Paumier Sarah , Rossi Miriam
Published: August 2017

Embelin is a phytochemical component of tropical plants that have a long history of being used in ethnic pharmacology in various parts of the world, including Ayurdvedic and Chinese medicinal texts. Many modern studies confirm its promise as a medicinal compound. The X‐ray crystal structure determination of embelin shows a remarkably ordered alkyl chain and particularly strong pi–pi interactions for a nonaromatic system. The molecule has a torsion angle of 67° between the ring and the alkyl chain of the molecule and differs markedly from that seen when embelin is embedded in the plasminogen activator inhibitor‐1 (PAI‐1) binding site (almost planar—with about 10° torsion angle). This suggests that embelin's flexible structural skeleton can be useful in biological environment. Apart from this, its many biological activities likely depend on embelin's hydrophobic nonpolar tail that allows a variety of interactions. Computationally, we evaluated embelin's sequestering ability toward the superoxide radical and see that embelin executes this reaction in a novel manner. Namely, as shown by our DFT calculations, instead of releasing a H atom to the superoxide radical to form the anionic species O2H‐, embelin prefers to accept an electron from the superoxide radical, which then transforms into molecular oxygen, O2. © 2017 Wiley Periodicals, Inc.
Revised CHARMM force field parameters for iron‐containing cofactors of photosystem II
Authors: Adam Suliman , Knapp‐Mohammady Michaela , Yi Jun , Bondar Ana‐Nicoleta
Published: August 2017

Photosystem II is a complex protein–cofactor machinery that splits water molecules into molecular oxygen, protons, and electrons. All‐atom molecular dynamics simulations have the potential to contribute to our general understanding of how photosystem II works. To perform reliable all‐atom simulations, we need accurate force field parameters for the cofactor molecules. We present here CHARMM bonded and non‐bonded parameters for the iron‐containing cofactors of photosystem II that include a six‐coordinated heme moiety coordinated by two histidine groups, and a non‐heme iron complex coordinated by bicarbonate and four histidines. The force field parameters presented here give water interaction energies and geometries in good agreement with the quantum mechanical target data. © 2017 Wiley Periodicals, Inc.
Sarcopenia is negatively associated with long‐term outcomes in locally advanced rectal cancer
Authors: Choi Moon Hyung , Oh Soon Nam , Lee In Kyu , Oh Seong Taek , Won Daeyoun David
Published: August 2017

Background

The association of sarcopenia and visceral obesity to treatment outcome is not clear for locally advanced rectal cancer. This study evaluates the influence of skeletal muscle and visceral fat on short‐term and long‐term outcomes in locally advanced rectal cancer patients treated with neoadjuvant chemoradiation therapy followed by curative resection.

Methods

A total of 188 patients with locally advanced cancer were included between January 2009 and December 2013. Neoadjuvant chemoradiotherapy was followed by curative resection. Sarcopenia and visceral obesity were identified in initial staging CT by measuring the muscle and visceral fat area at the third lumbar vertebra level.

Results

Among the 188 included patients, 74 (39.4%) patients were sarcopenic and 97 (51.6%) patients were viscerally obese. Sarcopenia and high levels of preoperative carcinoembryonic antigen were significant prognostic factors for overall survival (P = 0.013, 0.014, respectively) in the Cox regression multivariate analysis. Visceral obesity was not associated with overall survival; however, it did tend to shorten disease‐free survival (P = 0.079).

Conclusions

Sarcopenia is negatively associated with overall survival in locally advanced rectal cancer patients who underwent neoadjuvant chemoradiation therapy and curative resection. Visceral obesity tended to shorten disease‐free survival. Future studies should be directed to optimize patient conditions according to body composition status.
Automation and control system for fluid dynamic stability in hollow‐fiber membrane bioreactor for cell culture
Authors: Naghib Seyed Danial , Di Maio Francesco P , De Bartolo Loredana , Curcio Efrem , Di Renzo Alberto
Published: August 2017

BACKGROUND

In recent years, biochemical and biotechnological engineering has been applied to the culture of human and animal tissue cells, which requires the design, operation and control of complex bioreactors. Hollow fibre membrane bioreactors provide favourable conditions for cellular function and metabolism. To develop bioartificial systems ensuring stable and long‐term operation, fluid dynamics and transport phenomena require careful automation strategies.

RESULTS

Starting from a crossed hollow‐fiber membrane bioreactor for the culture of complex cell systems configured to operate manually, a 2×2 liquid level/flow‐rate control system is experimentally developed and thoroughly tested for its robustness against liquid level or flow‐rate set‐point changes and disturbances arising from loop interaction. The automation system is shown to be fast for flow‐rate and sufficiently reliable for liquid level (response times of minutes). Limitations are mostly owing to flow‐rate difference constraints and level sensor noise, both originating from cell culture requirements. Prolonged operation (27 days) of the bioreactor in maintaining human hepatocytes in a three‐cell co‐culture system is presented and discussed.

CONCLUSION

The results shown in the present work allow improving the understanding of the dynamic behaviour of a membrane bioreactor for biomedical application and examining the possibility to run the bioreactor under fully automated pre‐set conditions smoothly and for extended periods of time. © 2017 Society of Chemical Industry
Novel microbial and root mediated green synthesis of TiO2 nanoparticles and its application in wastewater remediation
Authors: Fulekar Jyoti , Dutta Dimple P , Pathak Bhawana , Fulekar Madhusudan H
Published: August 2017

BACKGROUND

Rhizosphere is a natural phenomenon which has been identified as plant assisted bioremediation and comprises of bacteria, fungi and actinomycetes along the root zone. Rhizosphere can be enhanced by providing the nutrients and favourable environmental condition and is considered an ecological remediation unit. In the present study, mycorrhizal sorghum roots and bacterial strains present therein have been used as a natural source for the synthesis of photocatalytic TiO2 nanoparticles.

RESULTS

The microorganisms from the root zone of the rhizosphere were isolated and identified by 16srDNA. The microorganisms Micrococcus lylae (MF1), Micrococcus aloeverae (MF2), Cellulosimicrobium sp. (MF3), their consortium and the root extracts were found to be effective for synthesis of TiO2 nanoparticles. The synthesized TiO2 nanoparticles were characterized by XRD, TEM and FTIR. These synthesized nanoparticles were used for photodegradation of methyl orange dye under the influence of UV light in a reactor.

CONCLUSION

The rhizospheric microorganisms and roots have been established as a novel natural source for synthesis of TiO2 nanoparticles and were found to be effective for the degradation of toxic methyl orange dye. This green synthesis of TiO2 nanoparticles is beneficial for hazardous wastewater remediation to clean up the environment. © 2017 Society of Chemical Industry
Stimuli previously associated with reinforcement mitigate resurgence
Authors: Craig Andrew R. , Browning Kaitlyn O. , Shahan Timothy A.
Published: August 2017

Resurgence refers to the recurrence of an extinguished target behavior following subsequent suspension of alternative reinforcement. Delivery of reinforcers during extinction of alternative behavior has been shown to mitigate resurgence. The present experiment aimed to determine whether delivering stimuli associated with reinforcers during resurgence testing similarly mitigates resurgence. Three groups of rats pressed target levers for food according to variable‐interval 15‐s schedules during Phase 1. In Phase 2, lever pressing was extinguished, and an alternative nose‐poke response produced alternative reinforcement according to a variable‐interval 15‐s schedule. Food reinforcement was always associated with illumination of the food aperture and an audible click from the pellet dispenser during Phases 1 and 2. Phase 3 treatments differed between groups. For one group, nose poking continued to produce food and food‐correlated stimuli. Both of these consequences were suspended for a second group. Finally, nose poking produced food‐correlated stimuli but not food for a third group. Target‐lever pressing resurged in the group that received no consequences and in the group that received only food‐correlated stimuli for nose poking. Resurgence, however, was smaller for the group that received food‐correlated stimuli than for the group that received no consequences for nose poking. Target‐lever pressing did not increase between phases in the group that continued to receive food and associated stimuli. Thus, delivery of stimuli associated with food reinforcement after suspension of food reduced but did not eliminate resurgence of extinguished lever pressing. These findings contribute to potential methodologies for preventing relapse of extinguished problem behavior in clinical settings.