bluuebunny/crossref_metadata_2025 huggingface dataset:
Supramolecular Organization in Confined Nanospaces
Authors: Tabacchi Gloria
Published: March 2018

Empty spaces are abhorred by nature, which immediately rushes in to fill the void. Humans have learnt pretty well how to make ordered empty nanocontainers, and to get useful products out of them. When such an order is imparted to molecules, new properties may appear, often yielding advanced applications. This review illustrates how the organized void space inherently present in various materials: zeolites, clathrates, mesoporous silica/organosilica, and metal organic frameworks (MOF), for example, can be exploited to create confined, organized, and self‐assembled supramolecular structures of low dimensionality. Features of the confining matrices relevant to organization are presented with special focus on molecular‐level aspects. Selected examples of confined supramolecular assemblies – from small molecules to quantum dots or luminescent species – are aimed to show the complexity and potential of this approach. Natural confinement (minerals) and hyperconfinement (high pressure) provide further opportunities to understand and master the atomistic‐level interactions governing supramolecular organization under nanospace restrictions.
Wearable Platform for Real‐time Monitoring of Sodium in Sweat
Authors: McCaul Margaret , Porter Adam , Barrett Ruairi , White Paddy , Stroiescu Florien , Wallace Gordon , Diamond Dermot
Published: March 2018

A fully integrated and wearable platform for harvesting and analysing sweat sodium concentration in real time during exercise has been developed and tested. The platform was largely produced using 3D printing, which greatly simplifies fabrication and operation compared to previous versions generated with traditional production techniques. The 3D printed platform doubles the capacity of the sample storage reservoir to about 1.3 ml, reduces the assembly time and provides simple and precise component alignment and contact of the integrated solid‐state ion‐selective and reference electrodes with the sorbent material. The sampling flowrate in the device can be controlled by introducing threads to enhance wicking of sweat from the skin, across the electrodes to the storage area. The platform was characterised in the lab and in exercise trials over a period of about 60 minutes continuous monitoring. Sweat sodium concentration was found to rise initially to approximately 17 mM and decline gradually over the period of the trial to about 11–12 mM.
Direct IR Spectroscopic Detection of a Low‐Lying Electronic State in a Metal Carbide Cluster
Authors: Chernyy Valeriy , Logemann Remko , Kirilyuk Andrei , Bakker Joost M.
Published: March 2018

The electronic structure of metal clusters is notoriously difficult to detect spectroscopically, due to rapid relaxation into the ground state following excitation. We have used IR multiple photon excitation to identify a low‐lying electronic state in a tantalum carbide cluster. The electronic excitation is found at 458 cm−1, and is confirmed by experiments on isotopically labeled clusters. Time‐dependent density functional theory (TD‐DFT) calculations confirm the current assignment, but a second predicted electronic state was not observed.
Photochemical Formation of Cyclobutane Pyrimidine Dimers in DNA through Electron Transfer from a Flanking Base
Authors: Lee Wook , Matsika Spiridoula
Published: March 2018

Electron transfer (ET) to a pyrimidine base from external moieties is a common step involved in the quenching or repair of the cyclobutane pyrimidine dimer (CPD). In contrast, we present a pathway that is initiated by an ET from a flanking guanine base to a pyrimidine base, leading to the formation of a CPD. We studied a T5mCG sequence with a methylated cytosine and our results demonstrate that the pathway involves the formation of an exciplex and intersystem crossings. This pathway also provides an explanation for why the mutational hot spots are correlated with the methylated CpG sequences, which has been a significant issue in cancer research.
Electrolysis of Natural Waters Contaminated with Transition‐Metal Ions: Identification of A Metastable FePb‐Based Oxygen‐Evolution Catalyst Operating in Weakly Acidic Solutions
Authors: Bonke Shannon A. , Abel Ken L. , Hoogeveen Dijon A. , Chatti Manjunath , Gengenbach Thomas , Fournier Maxime , Spiccia Leone , Simonov Alexandr N.
Published: March 2018

The possibility of efficient water electrooxidation sustained by continuous (re)generation of catalysts derived from the oxidative electrodeposition of transition‐metal contaminants is examined herein for three natural water samples from Australia and China. The metal composition of the solutions has been determined by inductively coupled plasma optical emission spectrometry, and a range of strategies to produce water‐splitting catalysts by means of in situ electrodeposition have been applied. The performance of the resulting electrocatalysts is below the state‐of‐the‐art level owing to large amounts of impurities in the solutions and non‐optimal concentrations of naturally available catalyst precursors. Nevertheless, these studies have identified the FePb‐based system as a rare example of an electrocatalyst for water oxidation that forms in situ and maintains reasonable activity (≥4.5 mA cm−2 at an overpotential of 0.8 V) in weakly acidic solutions (pH 2.9).
Relevance of the Thought–Shape Fusion Trait Questionnaire for healthy women and women presenting symptoms of eating disorders and mixed mental disorders
Authors: Wyssen Andrea , Debbeler Luka J. , Meyer Andrea H. , Coelho Jennifer S. , Humbel Nadine , Schuck Kathrin , Lennertz Julia , Messerli‐Bürgy Nadine , Trier Stephan N. , Isenschmid Bettina , Milos Gabriella , Flury Hanspeter , Schneider Silvia , Munsch Simone
Published: March 2018

Thought–shape fusion (TSF) describes the experience of marked concerns about body weight/shape, feelings of fatness, the perception of weight gain, and the impression of moral wrongdoing after thinking about eating fattening/forbidden foods. This study sets out to evaluate the short version of the TSF trait questionnaire (TSF).

The sample consists of 315 healthy control women, 244 women with clinical and subthreshold eating disorders, and 113 women with mixed mental disorders (mixed). The factor structure of the TSF questionnaire was examined using exploratory and subsequent confirmatory factor analyses.

The questionnaire distinguishes between a Concept scale and a Clinical Impact scale. However, a lack of measurement invariances refers to significant differences between groups in terms of factor loadings, thresholds, and residuals, which questions cross‐group validity.

Results indicate that the concept is understood differently in the 3 groups and refers to the suitability of the questionnaire primarily for individuals presenting with symptoms of eating disorders.
Treatment course and its predictors in patients with somatoform disorders: A routine outcome monitoring study in secondary psychiatric care
Authors: Carlier I.V.E. , Andree Wiltens D.H. , van Rood Y.R. , van Veen T. , Dekker J. , van Hemert A.M.
Published: March 2018

Aim

Somatoform disorders are common and often chronic. It would be helpful to distinguish those patients who are likely to have a positive treatment course from those who are likely to follow a negative course. Such studies of different somatoform disorders are scarce, especially in secondary psychiatric care. This study examined the 6‐month treatment course of psychological, physical symptoms, and functioning, and its predictors in a naturalistic sample of secondary psychiatric care outpatients with somatoform disorders.

Method

The present study used routine outcome monitoring data of patients with somatoform disorders regarding their 6‐month treatment course of psychological and physical symptoms as well as functioning. The following patient groups were included: total group of somatoform disorders (N = 435), and undifferentiated somatoform disorder (N = 242), pain disorder (N = 102), body dysmorphic disorder (N = 51), and hypochondriasis (N = 40). Measures were Mini‐International Neuropsychiatric Interview plus, Brief Symptom Inventory, Montgomery–Ǻsberg Depression Rating Scale, Brief Anxiety Scale, Short Form Health Survey 36, and Physical Symptom Checklist (PSC).

Results

The study population generally showed high co‐morbidity, especially with anxiety and mood disorders. The PSC total score, body dysmorphic disorder, and hypochondriasis were significant predictors for the treatment course of symptoms (Brief Symptom Inventory), whereas the PSC total score was the only significant predictor for the course of functioning (Short Form Health Survey 36).

Conclusion

Secondary psychiatric care outpatients with somatoform disorders showed high co‐morbidity with anxiety and mood disorders, and an unfavourable 6‐month course of both symptoms and functioning. Clinical implications are discussed, such as additional treatment of co‐morbidity in somatoform disorders.
Ruthenium(II) Pincer Complex Bearing N′NN′‐ and ONO‐Type Ligands as a Titania Sensitizer for Efficient and Stable Visible‐Light‐Driven Hydrogen Production
Authors: Zhuang Chuangsheng , Wang Jinming , Zhou Shengyin , Peng Tianyou , Zhang Jing
Published: March 2018

A ruthenium(II) pincer complex [Ru(N′NN′)(ONO)] bearing a pyridinyl‐based ligand (N′NN′=2,6‐bis(N‐benzyl‐benzimidazol‐2‐yl)pyridine) and a quinolinyl‐based ligand (ONO=2,6‐dihydroxyquiniline −2‐carboxylic) is used as a sensitizer of TiO2 nanoparticles for photocatalytic H2 production. Due to the π‐delocalized conjugation systems of pyridinyl‐based N′NN′ and quinolinyl‐based ONO ligands, the Ru(II) pincer complex on TiO2 nanoparticles is demonstrated as an effective sensitizer with suitable redox properties and broad visible‐light absorption, thus facilitating highly efficient and stable visible‐light‐driven H2 production. Under optimized photoreaction conditions, Ru(N′NN′)(ONO)/Pt‐TiO2 achieves an apparent quantum yield (AQY) of 27.3 % at 420 nm monochromatic light irradiation and a turnover number (TON) of 2166 h−1 under λ≥420 nm light irradiation. This work exhibits that Ru(II) pincer complexes may have promising application in dye‐sensitized semiconductors for extending the spectral response range, and provides some suggestions for designing new Ru(II) complexes to effectively promote solar energy conversion into chemical energy.
Towards numerical optimization of snowflake topologies
Authors: Van den Kerkhof S. , Blommaert M. , Heumann H. , Baelmans M.
Published: March 2018

In this paper, the framework for gradient‐based optimization of snowflake magnetic divertor topologies is discussed. A continuous in‐parts adjoint approach is adopted to calculate the gradient. A robust grid generator developed within the in‐house DivOpt code enables different topologies in an automated way. However, a large flux expansion exists near second‐order and closely spaced first‐order X‐points. This might induce significant discretization errors. As accurate gradients are needed for the correct functioning of the numerical optimization algorithm, the importance of the discretization error is assessed by calculating the gradient with both finite differences and the continuous adjoint approach on three systematically refined grids. It is shown that sufficiently fine grids are needed to achieve accurate gradient calculation and a corresponding good functioning of the optimization algorithm.
Self‐consistent coupling of the three‐dimensional fluid turbulence code TOKAM3X and the kinetic neutrals code EIRENE
Authors: Fan D.‐M. , Marandet Y. , Tamain P. , Bufferand H. , Ciraolo G. , Ghendrih Ph. , Serre E.
Published: March 2018

The three‐dimensional (3D) turbulence code TOKAM3X‐EIRENE, coupling the 3D non‐isothermal version of TOKAM3X to the EIRENE Monte Carlo solver has been developed with the ability to simulate self‐consistently the interactions between large‐scale flows and turbulence both in limited and diverted plasmas, including recycling. This is especially important for diverted plasmas, where neutrals play a key role and where the recycling source is strongly dominant. The code package relies on the same interface as the Soledge2D‐EIRENE code, which retains state‐of‐the‐art plasma–wall interaction, as well as atomic and molecular physics. In this paper, we present the first results obtained in WEST divertor geometry, in laminar mode, with the aim of verifying the new code package. The divertor density regimes are recovered, and the code results are shown to be consistent with the results of the two‐point model, thus opening the way for turbulent simulations.
Relative quantification of beta‐adrenergic receptor in peripheral blood cells using flow cytometry
Authors: Saygin Didem , Wanner Nicholas , Rose Jonathan A. , Naga Prasad Sathyamangla V. , Tang W. H. Wilson , Erzurum Serpil , Asosingh Kewal
Published: March 2018

Beta‐adrenergic receptors (β‐ARs) play a critical role in many diseases. Quantification of β‐AR density may have clinical implications in terms of assessing disease severity and identifying patients who could potentially benefit from beta‐blocker therapy. Classical methods for β‐AR quantification are based on labor‐intensive and time‐consuming radioligand binding assays. Here, we report optimization of a flow cytometry‐based method utilizing a biotinylated β‐AR ligand alprenolol as a probe and use of this method to quantify relative receptor expression in healthy controls (HC). Quantum™ MESF beads were used for quantification in absolute fluorescence units. The probe was chemically modified by adding a spacer moiety between biotin and alprenolol to stabilize receptor binding, thus preventing binding decay. Testing of three different standard cell fixation and permeabilization methods (formaldehyde fixation and saponin, Tween‐20, or Triton‐X 100 permeabilization) showed that the formaldehyde/Triton‐X 100 method yielded the best results. β‐AR expression was significantly higher in granulocytes compared to mononuclear cells. These data show that flow cytometric quantification of relative β‐AR expression in circulating leukocytes is a suitable technology for large‐scale clinical application. © 2018 International Society for Advancement of Cytometry
Development of an unbiased, semi‐automated approach for classifying plasma cell immunophenotype following multicolor flow cytometry of bone marrow aspirates
Authors: Post Steven R. , Post Ginell R. , Nikolic Dejan , Owens Rebecca , Insuasti‐Beltran Giovanni
Published: March 2018

Background

Despite increased usage of multiparameter flow cytometry (MFC) to assess diagnosis, prognosis, and therapeutic efficacy (minimal residual disease, MRD) in plasma cell neoplasms (PCNs), standardization of methodology and data analysis is suboptimal. We investigated the utility of using the mean and median fluorescence intensities (FI) obtained from MFC to objectively describe parameters that distinguish plasma cell (PC) phenotypes.

Methods

In this retrospective study, flow cytometry results from bone marrow aspirate specimens from 570 patients referred to the Myeloma Institute at UAMS were evaluated. Mean and median FI data were obtained from 8‐color MFC of non‐neoplastic, malignant, and mixed PC populations using antibodies to CD38, CD138, CD19, CD20, CD27, CD45, CD56, and CD81.

Results

Of 570 cases, 252 cases showed only non‐neoplastic PCs, 168 showed only malignant PCs, and 150 showed mixed PC populations. Statistical analysis of median FI data for each CD marker showed no difference in expression intensity on non‐neoplastic and malignant PCs, between pure and mixed PC populations. ROC analysis of the median FI of CD expression in non‐neoplastic and malignant PCs was used to develop an algorithm to convert quantitative FI values to qualitative assessments including “negative,” “positive,” “dim,” and “heterogeneous” expression.

Conclusions

FI data derived from 8‐color MFC can be used to define marker expression on PCs. Translation of FI data from Infinicyt software to an Excel worksheet streamlines workflow and eliminates transcriptional errors when generating flow reports. © 2018 International Clinical Cytometry Society
Ablation of cdk4 and cdk6 affects proliferation of basal progenitor cells in the developing dorsal and ventral forebrain
Authors: Grison Alice , Gaiser Carine , Bieder Andrea , Baranek Constanze , Atanasoski Suzana
Published: March 2018

Little is known about the molecular players driving proliferation of neural progenitor cells (NPCs) during embryonic mouse development. Here, we demonstrate that proliferation of NPCs in the developing forebrain depends on a particular combination of cell cycle regulators. We have analyzed the requirements for members of the cyclin‐dependent kinase (cdk) family using cdk‐deficient mice. In the absence of either cdk4 or cdk6, which are both regulators of the G1 phase of the cell cycle, we found no significant effects on the proliferation rate of cortical progenitor cells. However, concomitant loss of cdk4 and cdk6 led to a drastic decrease in the proliferation rate of NPCs, specifically the basal progenitor cells of both the dorsal and ventral forebrain at embryonic day 13.5 (E13.5). Moreover, basal progenitors in the forebrain of Cdk4;Cdk6 double mutant mice exhibited altered cell cycle characteristics. Cdk4;cdk6 deficiency led to an increase in cell cycle length and cell cycle exit of mutant basal progenitor cells in comparison to controls. In contrast, concomitant ablation of cdk2 and cdk6 had no effect on the proliferation of NCPs. Together, our data demonstrate that the expansion of the basal progenitor pool in the developing telencephalon is dependent on the presence of distinct combinations of cdk molecules. Our results provide further evidence for differences in the regulation of proliferation between apical and basal progenitors during cortical development. © 2018 Wiley Periodicals, Inc. Develop Neurobiol 78: 660–670, 2018
Evolution of caudal fin ray development and caudal fin hypural diastema complex in spotted gar, teleosts, and other neopterygian fishes
Authors: Desvignes Thomas , Carey Andrew , Postlethwait John H.
Published: March 2018

Background: The caudal fin of actinopterygians transitioned from a heterocercal dorsoventrally asymmetrical fin to a homocercal externally symmetrical fin in teleosts through poorly understood evolutionary developmental mechanisms. We studied the caudal skeleton of major living actinopterygian lineages, including polypteriformes, acipenseriformes, Holostei (gars and bowfin), and teleosts, compared with reports of extinct neopterygians and basal teleosteans. We focused on the hypural diastema complex, which includes (1) a gap between hypurals 2 and 3, that (2) separates two plates of connective tissue at (3) the branching of caudal vasculature; these features had been considered as a shared, derived trait of teleosts, a synapomorphy. Results: These studies revealed that gars and teleosts share all three features of the hypural diastema complex. Absence of a complex with these features from bowfin, fossil Holostei, and stem Teleostei argues in favor of repetitive, independent emergence in several neopterygian and basal Teleostei lineages, or less likely, many independent losses. We further observed that, in gars and teleosts, the earliest developing lepidotrichia align with the horizontal adult body axis, thus participating in external symmetry. Conclusions: These results suggest that the hypural diastema complex in teleosts and gars represents a homoplasy among neopterygians and that it emerged repeatedly by parallel evolution due to shared inherited underlying genetic and developmental programs (latent homology). Because the hypural diastema complex exists in gars with heterocercal tails, this complex is independent of homocercality. Developmental Dynamics 247:832–853, 2018. © 2018 Wiley Periodicals, Inc.
Quantifying peat hydrodynamic properties and their influence on water table depths in peatlands of southern Quebec (Canada)
Authors: Bourgault Marc‐André , Larocque Marie , Garneau Michelle , Roux Marjolaine
Published: March 2018

Water table depth in peatlands is strongly linked to physical properties of the peat, such as density (ρdry), peat composition and humification, hydraulic conductivity (K), and specific yield (Sy). Dry bulk density and peat depth are commonly used as indicators of K in ecohydrological models. However, no mathematical relationship exists to quantify Sy based on K and ρdry. As a result, ecohydrological models cannot explicitly reproduce the strong buffering capacity of peatlands. The objectives of this study were to analyse the literature‐reported mathematical link between all the physical properties to develop new mathematical relationships between these parameters and to evaluate whether variations in the physical properties of the peat control water table depth in peatlands. Seven peatlands located in the St. Lawrence Lowlands (Québec, Canada) were sampled, and 1 m long peat cores were collected from up‐gradient, mid‐gradient, and down‐gradient zones. All cores were used to measure ρdry, K, Sy, and to estimate peat composition and humification. Statistically significant correlations were found between (a) K and Sy (log–log model), (b) K and depth (log–log model), (c) Sy and depth (log–log model), (d) ρdry and Sy (log model), and (e) ρdry and K (log model). No significant difference was found in either K or Sy between sites. However, significant differences were found in water table depths. Because they provide a fuller description of the peat properties that control water table depths, these newly developed functions have the potential to improve the capacity of ecohydrological models to simulate time‐varying hydrological conditions.
Heart rate response and functional capacity in patients with chronic heart failure with preserved ejection fraction
Authors: Domínguez Eloy , Palau Patricia , Núñez Eduardo , Ramón José María , López Laura , Melero Joana , Bellver Alejandro , Santas Enrique , Chorro Francisco J. , Núñez Julio
Published: March 2018

Aims

The mechanisms of exercise intolerance in heart failure with preserved ejection fraction (HFpEF) are not yet elucidated. Chronotropic incompetence has emerged as a potential mechanism. We aimed to evaluate whether heart rate (HR) response to exercise is associated to functional capacity in patients with symptomatic HFpEF.

Methods and results

We prospectively studied 74 HFpEF patients [35.1% New York Heart Association Class III, 53% female, age (mean ± standard deviation) 72.5 ± 9.1 years, and 59.5% atrial fibrillation]. Functional performance was assessed by peak oxygen consumption (peak VO2). The mean (standard deviation) peak VO2 was 10 ± 2.8 mL/min/kg. The following chronotropic parameters were calculated: Delta‐HR (HR at peak exercise − HR at rest), chronotropic index (CI) = (HR at peak exercise − resting HR)/[(220 − age) − resting HR], and CI according to the equation developed by Keteyian et al. (CIK) (HR at peak exercise − HR at rest)/[119 + (HR at rest/2) − (age/2) − 5 − HR at rest]. In a bivariate setting, peak VO2 was positively and significantly correlated with Delta‐HR (r = 0.35, P = 0.003), CI (r = 0.27, P = 0.022), CIK (r = 0.28, P = 0.018), and borderline with HR at peak exercise (r = 0.22, P = 0.055). In a multivariable linear regression analysis that included clinical, analytical, echocardiographic, and functional capacity covariates, the chronotropic parameters were positively associated with peak VO2. We found a linear relationship between Delta‐HR and peak VO2 (β coefficient of 0.03; 95% confidence interval: 0.004–0.05; P = 0.030); conversely, the association among CIs and peak VO2 was exponentially shaped.

Conclusions

In patients with chronic HFpEF, the HR response to exercise was positively associated to patient's functional capacity.
Comparison of continuous‐flow ventricular assist device therapy with intensive medical therapy in fixed pulmonary hypertension secondary to advanced left heart failure
Authors: Kumarasinghe Gayathri , Jain Pankaj , Jabbour Andrew , Lai Jacqueline , Keogh Anne M. , Kotlyar Eugene , Jansz Paul , Macdonald Peter S. , Hayward Christopher S.
Published: March 2018

Aims

Both ventricular assist device (VAD) and pulmonary vasodilator therapy have been shown in uncontrolled studies to improve pulmonary hypertension secondary to advanced left heart failure (Group 2 PH). This study aimed to compare haemodynamic benefits and survival in patients with fixed Group 2 PH treated with continuous‐flow VAD to intensive medical therapy.

Methods and results

Ninety‐five patients listed for heart transplantation with sequential right heart catheters were studied, 24 patients having fixed Group 2 PH (as defined by cardiac index < 2.8 L/min/m2, pulmonary capillary wedge pressure > 15 mmHg, and transpulmonary gradient ≥ 15 mmHg or pulmonary vascular resistance > 3.0 WU, unresponsive to vasodilator challenge). Ten patients received VAD therapy, and 14 patients received standard heart failure therapy with or without sildenafil, nitrates, or endothelin receptor antagonists.

At repeat right heart catheterization, patients treated with VAD therapy demonstrated significant improvement in both transpulmonary gradient (19 vs. 12 mmHg, P = 0.046) and pulmonary vascular resistance (6.5 vs. 2.9 WU, P = 0.003) compared with baseline, while those treated with medical therapy did not (20.9 vs. 20.3 mmHg and 6.5 vs. 6.4 WU, P = NS for both). Patients who received VAD therapy were significantly more likely to achieve normalized transpulmonary gradient (8/10 vs. 4/14, P = 0.013) and were more likely to be listed for orthotopic heart transplantation (7/10 vs. 4/14, P < 0.05). There were no significant differences between groups in terms of all‐cause mortality.

Conclusions

Continuous‐flow VAD therapy more effectively reverses fixed Group 2 PH compared with medical therapy alone and may allow a higher rate of listing for orthotopic heart transplantation.
Infection with a Brazilian isolate of Zika virus generates RIG‐I stimulatory RNA and the viral NS5 protein blocks type I IFN induction and signaling
Authors: Hertzog Jonny , Dias Junior Antonio Gregorio , Rigby Rachel E. , Donald Claire L. , Mayer Alice , Sezgin Erdinc , Song Chaojun , Jin Boquan , Hublitz Philip , Eggeling Christian , Kohl Alain , Rehwinkel Jan
Published: March 2018

Zika virus (ZIKV) is a major public health concern in the Americas. We report that ZIKV infection and RNA extracted from ZIKV infected cells potently activated the induction of type I interferons (IFNs). This effect was fully dependent on the mitochondrial antiviral signaling protein (MAVS), implicating RIG‐I‐like receptors (RLRs) as upstream sensors of viral RNA. Indeed, RIG‐I and the related RNA sensor MDA5 contributed to type I IFN induction in response to RNA from infected cells. We found that ZIKV NS5 from a recent Brazilian isolate blocked type I IFN induction downstream of RLRs and also inhibited type I IFN receptor (IFNAR) signaling. We defined the ZIKV NS5 nuclear localization signal and report that NS5 nuclear localization was not required for inhibition of signaling downstream of IFNAR. Mechanistically, NS5 blocked IFNAR signaling by both leading to reduced levels of STAT2 and by blocking phosphorylation of STAT1, two transcription factors activated by type I IFNs. Taken together, our observations suggest that ZIKV infection induces a type I IFN responseviaRLRs and that ZIKV interferes with this response by blocking signaling downstream of RLRs and IFNAR.
Crystallographic Characterization and Non‐Innocent Redox Activity of the Glycine Modified DOTA Scaffold and Its Impact on EuIII Electrochemistry
Authors: Burnett Marianne E. , Adebesin Bukola , Ratnakar S. James , Green Kayla N.
Published: March 2018

EuDOTA‐glycine derivatives have been explored as alternatives to typical gadolinium‐containing complexes for MRI agents used in diagnostic imaging. Different imaging modalities can be accessed (T1 or PARACEST) dependent on the oxidation state of the europium ion. Throughout the past 30 years, there have been significant manipulations and additions made to the DOTA scaffold; yet, characterizations related to electrochemistry and structure determined through XRD analysis have not been fully analyzed. In this work, electrochemical analysis using cyclic voltammetry was carried out on EuDOTA derivatives, including the free ligand DOTAGly4 (4) and the complexes. Effects of glycinate substitution on the DOTA scaffold, specifically, ligand interactions with the glassy carbon electrode were observed. A range of electrochemical investigations were carried out to show that increased glycinate substitution led to increased interaction with the electrode surface, thus implicating a new factor to consider when evaluating the electrochemistry of glycinate substituted ligands. In addition, the solid‐state structure of EuDOTAGly4 (Eu4) was determined by X‐ray diffraction and a brief analysis is presented compared to known Ln3+ structures found within literature. The Eu4 complex crystalizes in a rare polymer type arrangement via bridging side‐arms between adjacent complexes.
Lipid Oxidation Derived Aldehydes and Oxysterols Between Health and Disease
Authors: Sottero Barbara , Leonarduzzi Gabriella , Testa Gabriella , Gargiulo Simona , Poli Giuseppe , Biasi Fiorella
Published: March 2018

Non‐enzymatic and enzymatic oxidation of lipids has long been a primary issue in human pathophysiology, with special emphasis on diet‐ and nutrition‐related aspects. While there is no doubt that the n‐3 polyunsaturated fatty acids (PUFAs), eicosapentaenoic acid, and docosahexaenoic acid, exert anti‐inflammatory, inflammation resolving, and immunomodulatory effects in different model systems, their non‐enzymatic oxidation during food storage and cooking, as well as during gastrointestinal digestion, can give rise to excessive amounts of quite reactive aldehydic end‐products, in particular 4‐hydroxyhexenal. However, the non‐enzymatic oxidation of n‐6 PUFAs is, in principle, far more harmful, not least because one of its main end‐products, 4‐hydroxynonenal, has been shown to be associated with the progression of a number of human diseases. Several cholesterol oxidation products, known as oxysterols, are also of primary nutritional importance; these can be generated in the human body through both enzymatic and non‐enzymatic reactions, but may also be present in the diet in excessive amounts due to the autoxidation of cholesterol‐containing foods. Their potential contribution to the pathogenesis and progression of human diseases in which hypercholesterolemia is a primary risk factor, such as atheroclerosis, Alzheimer's disease, and some forms of cancers, has been unanimously recognized.

Practical Applications: This review highlights the importance of certain lipid oxidation products, namely 4‐hydroxyalkenals and oxysterols, in the modulation of processes fundamental to human health and disease. The observations and facts reviewed here underline the need to carefully consider the pros and cons of the dietary intake and metabolic fate of n‐3 PUFA, n‐6 PUFA, and cholesterol, when producing, storing, and processing lipid‐containing food.

Lipid oxidation is a common process that occurs through both enzymatic and non‐enzymatic reactions. It is responsible for the formation of several compounds, including polyunsaturated fatty acid (PUFA)‐derived 4‐hydroxyalkenals and cholesterol oxidation products, namely oxysterols. Depending on their concentrations, these molecules possess physiopathological properties involved in cell viability and function. At high concentrations, such as those resulting from intense oxidative stress or excessive fatty food intake, they are associated to the onset of many diseases. A correct diet regimen, improved food processing and storage, and suitable antioxidant supplementation, should be implemented to counteract promotion of disease development by excess oxidized lipids. (HHE, 4‐hydroxyhexenal; HNE, 4‐hydroxynonenal; ROS, reactive oxygen species).
Visible‐Light Organophotoredox‐Catalyzed Synthesis of Precursors for Horner‐Type Olefinations
Authors: Nebe Marco M. , Loeper Daniel , Fürmeyer Fabian , Opatz Till
Published: March 2018

A metal‐free photoredox‐catalyzed α‐heteroarylation of 2‐bromophosphonoacetic esters allows the synthesis of precursors for Horner‐olefinations from indoles in a single step. Numerous functional groups are tolerated in this photoinduced radical coupling under mild conditions and the subsequent reaction with aldehydes generates 2‐(indol‐2‐yl)acrylates in high yield.
Filling the glass: Effects of a positive psychology intervention on executive task performance in chronic pain patients
Authors: Boselie J.J.L.M. , Vancleef L.M.G. , Peters M.L.
Published: March 2018

Background

Chronic pain is associated with emotional problems as well as difficulties in cognitive functioning. Prior experimental studies have shown that optimism, the tendency to expect that good things happen in the future, and positive emotions can counteract pain‐induced task performance deficits in healthy participants. More specifically, induced optimism was found to buffer against the negative effects of experimental pain on executive functioning. This clinical experiment examined whether this beneficial effect can be extended to a chronic pain population.

Methods

Patients (N = 122) were randomized to a positive psychology Internet‐based intervention (PPI; n = 74) or a waiting list control condition (WLC; n = 48). The PPI consisted of positive psychology exercises that particularly target optimism, positive emotions and self‐compassion.

Results

Results demonstrated that patients in the PPI condition scored higher on happiness, optimism, positive future expectancies, positive affect, self‐compassion and ability to live a desired life despite pain, and scored lower on pain catastrophizing, depression and anxiety compared to patients in the WLC condition. However, executive task performance did not improve following completion of the PPI, compared to the WLC condition.

Conclusions

Despite the lack of evidence that positive emotions and optimism can improve executive task performance in chronic pain patients, this study did convincingly demonstrate that it is possible to increase positive emotions and optimism in chronic pain patients with an online positive psychology intervention. It is imperative to further explore amendable psychological factors that may reduce the negative impact of pain on executive functioning.

Significance

We demonstrated that an Internet‐based positive psychology intervention strengthens optimism and positive emotions in chronic pain patients. These emotional improvements are not associated with improved executive task performance. As pain itself often cannot be relieved, it is imperative to have techniques to reduce the burden of living with chronic pain.
Conditioned pain modulation using painful cutaneous electrical stimulation or simply habituation?
Authors: Eitner L. , Özgül Ö.S. , Enax‐Krumova E.K. , Vollert J. , Maier C. , Höffken O.
Published: March 2018

Background and Aims

Cold pressor test was recently reported to significantly reduce painful cutaneous electrical stimulation (PCES)‐induced pain and corresponding evoked potentials (PCES‐EPs), but whether this reduction is an effect of conditioned pain modulation (CPM) remains unknown. To what extent these findings are confounded by habituation is also unknown. We thus compared the effect of CPM and habituation on PCES‐induced pain and PCES‐EPs and analysed whether increased attention by a random change of electric stimulation would intensify this possible habituation effect.

Methods

Three custom‐built concentric surface electrodes were used to induce a pain intensity of 60 on a 0–100 numerical rating scale (NRS) among 29 healthy subjects (age 20–35y, 16 females). PCES‐EPs (including P0N1 and N1P1 amplitudes, N1 latencies) were assessed over Cz. Group A received 14 min of electrical stimulation with constant intensity followed by 14 min of electrical stimulation with variable intensities, group B vice versa. Afterwards, subjects perceived cold‐water pain (10 °C) contralaterally as conditioning stimulus to assess CPM. Statistical analysis was conducted with ANOVA and t‐test.

Results

In both groups, N1 latencies remain unchanged, but the intensity of PCES‐induced pain (12 ± 17%; p < 0.01) and N1P1 amplitudes of PCES‐EPs (10 ± 16%; p < 0.05) decreased significantly during the 14‐min PCES with constant current intensity. CPM also significantly reduced pain ratings (36 ± 19%; p < 0.001) and amplitudes (37.2 ± 15.8%), p < 0.001). A significant decline of P0N1 amplitudes occurred only during CPM (18 ± 61%; p < 0.001).

Conclusion

We found a significant effect of habituation on PCES‐induced pain and PCES‐EPs, although the effect of CPM was significantly larger and could not be explained by habituation alone.

Significance

Painful cutaneous electrical stimulation leads to moderate habituation of pain and evoked potential amplitudes, but the conditioned pain modulation effect using this method is significantly larger, which might indicate a different mechanism in central processing.
A preliminary origin‐tracking study of different densities urinary exosomes
Authors: Lan Tao , Xi Xingjun , Chu Qiao , Zhao Liang , Chen Apeng , Lu Joann J. , Wang Fenghe , Zhang Weibing
Published: March 2018

Based on density differences of different subpopulations of exosomes, two kinds of micro‐vesicles with different densities were captured from urine by a modified sucrose density gradient ultracentrifuge separation method. Verified by transmission electron microscope (TEM) and western blot, the results showed these two kinds of micro‐vesicles were all exosomes. And these two kinds of exosomes were analyzed by TEM, 2D electrophoresis (2DE), and capillary zone electrophoresis (CZE), respectively. The results of TEM showed these two exosomes with different densities have different morphological characteristics, and some tiny proteomic differences were shown in the results of 2DE of these two exosomes. At the same time, the CZE results displayed these two kinds of exosomes possessed different retention times, indicated that they may have different electrification property and particle weight. These results may attribute to their different origins. This work may provide a preliminary experience for the origin‐tracking study for urinary exosomes, and would be more useful for future targeted biomarker discovery.
Research advances based on mass spectrometry for profiling of triacylglycerols in oils and fats and their applications
Authors: Xu Shu‐ling , Wei Fang , Xie Ya , Lv Xin , Dong Xu‐yan , Chen Hong
Published: March 2018

Vegetable oils and animal fats are dietary source of lipids that play critical and multiple roles in biological function. Triacylglycerols (TAGs) are the principal component of oils and fats with significant difference in profile among different oils and fats. TAG profiling is essential for nutritional evaluation, quality control and assurance of safety in oils and fats. However, analysis of TAGs is a challenging task because of the complicated composition of TAGs and their similar physicochemical properties in oils and fats. The rapid development of mass spectrometry (MS) technology in recent years makes it possible to analyze the composition, content and structure of TAGs in the study of the physical, chemical and nutritional properties of oils, fats and related products. This review described the research advancement based on MS for profiling of TAGs in oil, fat and their applications in food. The application of MS, including direct infusion strategies, and its combination with chromatography, gas chromatography‐MS (GC‐MS) and liquid chromatography‐MS (LC‐MS), in the analysis of TAGs were reviewed. The advantages and disadvantages of these analytical methods with relevant applications for TAGs analysis in food were also described.
Omics approaches for food authentication
Authors: Creydt Marina , Fischer Markus
Published: March 2018

The development of analytical strategies to fight against food fraud is currently one of the most developing fields in food science as the food value chain becomes increasingly complex and global. Food can be certified by clear labeling but also by objective analytical methods. As shown recently by several groups, the omics technologies such as genomics, proteomics, metabolomics, and isotopolomics are suitable to prove the geographical origin, the production or cultivation process, and the biological and the overall chemical identity of food. This article describes different analytical approaches beginning with non‐targeted strategies as well as the further developmental stages of transferring the methods to routine laboratories.
Enantioselective capillary electrophoresis provides insight into the phase II metabolism of ketamine and its metabolites in vivo and in vitro
Authors: Sandbaumhüter Friederike A. , Thormann Wolfgang
Published: March 2018

Glucuronidation catalyzed by uridine‐5′‐diphospho‐glucuronosyl‐transferases (UGTs) is the most important reaction in phase II metabolism of drugs and other compounds. O‐glucuronidation is more common than N‐glucuronidation. The anesthetic, analgesic and antidepressive drug ketamine is metabolized in phase I by cytochrome P450 enzymes to norketamine, hydroxynorketamine (HNK) diastereomers and dehydronorketamine (DHNK). Equine urine samples collected two hours after ketamine injection were treated with β‐glucuronidase and analyzed with three enantioselective capillary electrophoresis assays. Concentrations of HNK diastereomers and norketamine were significantly higher in comparison to untreated urine and an increase of ketamine and DHNK levels was found in selected but not all samples. This suggests that O‐glucuronides of HNK and N‐glucuronides of the other compounds are formed in equines. N‐glucuronidation of norketamine was studied in vitro with liver microsomes of different species and the single human enzyme UGT1A4. With equine liver microsomes (ELM) a stereoselective N‐glucuronidation of norketamine was found that compares well to the results obtained with urines collected after ketamine administration. No reaction was observed with canine liver microsomes, human liver microsomes and UGT1A4. Incubation of ketamine and DHNK with ELM did not reveal any glucuronidation. Enantioselective CE is suitable to provide insight into the phase II metabolism of ketamine and its metabolites.
Effect of solvent on the extraction of phenolic compounds and antioxidant capacity of hazelnut kernel
Authors: Fanali Chiara , Tripodo Giusy , Russo Marina , Della Posta Susanna , Pasqualetti Valentina , De Gara Laura
Published: March 2018

Hazelnut kernel phenolic compounds were recovered applying two different extraction approaches, namely ultrasound‐assisted solid/liquid extraction (UA‐SLE) and solid‐phase extraction (SPE). Different solvents were tested evaluating total phenolic compounds and total flavonoids contents together to antioxidant activity. The optimum extraction conditions, in terms of the highest value of total phenolic compounds extracted together to other parameters like simplicity and cost were selected for method validation and individual phenolic compounds analysis. The UA‐SLE protocol performed using 0.1 g of defatted sample and 15 mL of extraction solvent (1 mL methanol/1 mL water/8 mL methanol 0.1% formic acid/5 mL acetonitrile) was selected. The analysis of hazelnut kernel individual phenolic compounds was obtained by HPLC coupled with DAD and MS detections. Quantitative analysis was performed using a mixture of six phenolic compounds belonging to phenolic classes’ representative of hazelnut. Then, the method was fully validated and the resulting RSD% values for retention time repeatability were below 1%. A good linearity was obtained giving R2 no lower than 0.997.The accuracy of the extraction method was also assessed. Finally, the method was applied to the analysis of phenolic compounds in three different hazelnut kernel varieties observing a similar qualitative profile with differences in the quantity of detected compounds.
Increasing the loading rate of continuous stirred tank reactor for coffee husk and pulp: Effect of trace elements supplement
Authors: Chala Bilhate , Oechsner Hans , Fritz Thomas , Latif Sajid , Müller Joachim
Published: March 2018

In this study, the anaerobic performance and stability of coffee husk and pulp with and without trace element (TE) supplement was investigated, using 20 L mesophilic continuous stirred tank reactors for 140 days of experiment (DOE). The TE was cocktail of trace metals composed of Fe, Ni, Zn, Co, Mn, Mo, Se W and B. The organic loading rate (OLR) was increased stepwise from 2.5 (HRT = 40 d) to 6.0 kg VS m−3 d− 1(HRT = 16.7 d). The highest methane productivity from pulp with and without TE was 1.272 and 0.965 m3 m−3 d−1 at an OLR of 6.0 and 5.0 kg VS m−3 d−1; while the husks performed 0.895 and 0.795 m3 m−3 d−1 respectively, both at an OLR of 6.0 kg VS m−3 d−1. The specific methane yield (SMY) of pulp (at OLR = 5 kg VS m−3 d−1) with and without TEs was 217.9 ± 4.7 and 193.1 ± 8.2 L kg−1 VS; while husk yielded 149.2 ± 6.0 and 132.5 ± 4.9 L kg−1 VS, respectively. The effect of TEs on SMY was statistically significant (p < 001) at higher OLRs (5.0 ‐ 6.0 kg VS m−3 d−1). The TEs improved the anaerobic stability through an optimum alkalinity ratio (VFA/TIC < 0.3) and suppressed the accumulation of volatile fatty acids. Mono digestion of husks and pulp are prone to lack Mo, Zn, Ni and Fe in long‐term anaerobic fermentation. Further studies on co‐digestion of husk/pulp with animal manure and dry fermentation helps to efficiently use this biomass resource.
Secretion of recombinant proteins from E. coli
Authors: Kleiner‐Grote Gabriele R. M. , Risse Joe M. , Friehs Karl
Published: March 2018

The microorganism Escherichia coli is commonly used for recombinant protein production. Despite several advantageous characteristics like fast growth and high protein yields, its inability to easily secrete recombinant proteins into the extracellular medium remains a drawback for industrial production processes. To overcome this limitation, a multitude of approaches to enhance the extracellular yield and the secretion efficiency of recombinant proteins have been developed in recent years. Here, a comprehensive overview of secretion mechanisms for recombinant proteins from E. coli is given and divided into three main sections. First, the structure of the E. coli cell envelope and the known natural secretion systems are described. Second, the use and optimization of different one‐ or two‐step secretion systems for recombinant protein production, as well as further permeabilization methods are discussed. Finally, the often‐overlooked role of cell lysis in secretion studies and its analysis are addressed. So far, effective approaches for increasing the extracellular protein concentration to more than 10 g/L and almost 100% secretion efficiency exist, however, the large range of optimization methods and their combinations suggests that the potential for secretory protein production from E. coli has not yet been fully realized.