bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the Origin of Damped Electrochemical Oscillations at Silicon Anodes (Revisited)
Authors: Proost Joris , Blaffart Frédéric , Turner Stuart , Idrissi Hosni 
Published: August 2014

AbstractElectrochemical oscillations accompanying the formation of anodic silica have been shown in the past to be correlated with rather abrupt changes in the mechanical stress state of the silica film, commonly associated with some kind of fracture or porosification of the oxide. To advance the understanding on the origin of such oscillations in fluoride‐free electrolytes, we have revisited a seminal experiment reported by Lehmann almost two decades ago. We thereby demonstrate that the oscillations are not stress‐induced, and do not originate from a morphological transformation of the oxide in the course of anodisation. Alternatively, the mechanical features accompanying the oscillations can be explained by a partial relaxation of the field‐induced electrostrictive stress. Furthermore, our observations suggest that the oscillation mechanism more likely results from a periodic depolarisation of the anodic silica.
A Computational Study on 3‐Azonia‐, 3‐Phosphonia‐, and 3‐Arsoniaspiro[2.2]pentanes and Related Three‐Membered Heterocycles
Authors: Trujillo Cristina , Sánchez‐Sanz Goar , Alkorta Ibon , Elguero José 
Published: August 2014

AbstractA theoretical study at the ab initio MP2/6‐311++G(d,p) level of theory is carried out to characterize several heterocyclic spiro[2.2]pentane cations with N, P, and As as spiro atoms. The strain and relative stability of the spiropentanes are obtained through isodesmic reactions. Nucleus‐independent chemical shifts (NICS) and 3D NICS isosurfaces show σ‐aromatic characteristics, similar to those found in cyclopropane. The interaction with the Cl−anion, which results in four different stationary structures, is studied and characterized by means of the atoms in molecules methodology, and Cl⋅⋅⋅pnicogen, Cl⋅⋅⋅H, and Cl⋅⋅⋅C interactions are found. The most stable structure in all cases corresponds to opening of one of the three‐membered rings, due to the attack of the Cl atom, and CCl bond formation. Furthermore, the reaction with the 3‐boranuidaspiro[2.2]pentane anion results in the formation of a new compound through cleavage of one ring of both reactants.
Palladium Nanoparticles Supported on Vertically Oriented Reduced Graphene Oxide for Methanol Electro‐Oxidation
Authors: Yang Liming , Tang Yanhong , Luo Shenglian , Liu Chengbin , Song Hejie , Yan Dafeng 
Published: August 2014

AbstractReduced graphene oxide (rGO) is a promising support material for nanosized electrocatalysts. However, the conventional stacking arrangement of rGO sheets confines the electrocatalysts between rGO layers, which decreases the number of catalytic sites substantially. We report here a facile synthesis of vertically oriented reduced graphene oxide (VrGO) through cyclic voltammetric electrolysis of graphene oxide (GO) in the presence of Na2PdCl4. Experiments without Pd nanoparticles or with a low loading amount of Pd nanoparticles results in the deposition of rGO parallel to the electrodes. The vertical orientation of Pd/rGO nanoflakes causes a remarkable enhancement of the catalytic activity toward methanol electro‐oxidation. The mass activity (620.1 A gPd−1) of Pd/VrGO is 1.9 and 6.2 times that of Pd/flat‐lying rGO (331.8 A gPd−1) and commercial Pd/C (100.5 A gPd−1), respectively. Furthermore, the Pd/VrGO catalyst shows excellent resistance to CO poisoning. This work provides a simple wet‐chemical method for VrGO preparation.
A Facile and Green Method to Hydrophobize Films of Cellulose Nanofibrils and Silica by Laccase‐Mediated Coupling of Nonpolar Colloidal Particles
Authors: Cusola Oriol , Roncero M. Blanca , Vidal Teresa , Rojas Orlando J. 
Published: August 2014

AbstractHydrophobic particles based on dodecyl 3,4,5‐trihydroxybenzoate (LG) were coupled onto the surface of cellulose nanofibrils (CNFs) and silica by treatment with a multicomponent colloidal system (MCS) derived from the laccase‐mediated reaction of LG in the presence of a sulfonated lignin (SL). Surface modification upon treatment with MCS was monitored in situ and in real time by quartz crystal microgravimetry. The colloidal stability of MCS and its components in water was followed by measuring space‐ and time‐resolved light transmission and back scattering. The sulfonated lignin increased dispersion stability and reduced the characteristic MCS particle size [from ≈4 to ≈80 nm, according to AFM and dynamic light scattering (DLS)]. It also facilitated the surface enzymatic reaction that led to adsorption and coupling of MCS onto CNFs and silica surfaces. The combined effect of reduced surface energy and surface roughness by MCS treatment produced an increase in water contact angle on CNFs and silica of about 90 and 80°, respectively. Surface pretreatment with chitosan further increased the extent of MCS adsorption on the surfaces. This method represents a sustainable alternative to traditional approaches for cellulose hydrophobization and a step forward in implementing green routes for surface modification.
Biological Networks and Drug Discovery—Where Do We Stand?
Authors: Geppert Tim , Koeppen Herbert 
Published: August 2014

Abstract

Preclinical Research

The progress in genomics and molecular biology during the last decade has led to the insight that complex diseases are caused by defects in many genes and that cellular processes are organized in complex networks. In the search of new drugs, these findings have not yet been fully taken into account. The currently predominating drug discovery approach in pharmaceutical industry is still target‐centric, with the goal to optimize compounds toward high affinity and selectivity for a specific target. There is growing evidence that the successful development of effective disease‐modifying medications needs a network approach instead. This might also help to reduce the very high failure rate in the current drug development process. This review outlines concepts and applications of network biology and routes toward drugs that are designed to interact with several targets. Obstacles to the implementation of this approach in the pharmaceutical industry are discussed.
Activity Cliff Networks for Medicinal Chemistry
Authors: Stumpfe Dagmar , Bajorath Jürgen 
Published: August 2014

Abstract

Preclinical Research

Network representations are widely used in bioinformatics but have only been little explored in chemistry. Thus far, only a few attempts have been made to generate and analyze compound networks. Among these are the first activity cliff networks. In medicinal chemistry, activity cliffs are focal points of structure–activity relationships (SAR) analysis. Activity cliffs have generally been defined as pairs of structurally similar or analogous active compounds that have a large difference in potency against their target. However, most activity cliffs are not formed in isolation but in a coordinated manner involving multiple highly and weakly potent compounds. Recently, a comprehensive activity cliff network has been generated for current public domain bioactive compounds, hence providing a first global view of activity cliff formation. The design of activity cliff networks is discussed herein. From the global activity cliff network, local networks can be extracted for individual compound activity classes that provide graphical access to high‐level SAR information for compound optimization efforts.
Application of Chemometric Techniques in Search of Clinically Applicable Biomarkers of Disease
Authors: Kotłowska Alicja 
Published: August 2014

Abstract

Preclinical Research

Metabolomics deals with the global assessment of the metabolites present in a biological system to evaluate the progress of the disease, select potential biomarkers, and provide insights into the underlying pathophysiology. As metabolomic analysis generates large quantities of data, multivariate data analysis techniques and chemometrics are often used to interpret experimental results. The present overreview describes various chemometric methods that are frequently used in clinical biomarker studies, with emphasis on data analysis strategies and validation of classification and prognostic models. Moreover, an overview of most interesting recent biomarker discovery publications is provided to highlight the clinical applications of chemometric techniques used for bioanalytical data interpretation.
Network Pharmacology: A Rosetta Stone for Traditional Chinese Medicine
Authors: Hao Da Cheng , Xiao Pei Gen 
Published: August 2014

Abstract

Preclinical Research

Network pharmacology, based on the theory of systems biology, is a new discipline that analyzes the biological network and screens out the nodes of particular interest, with the aim of designing poly‐target drug molecule. It emphasizes maximizing drug efficacy and minimizing adverse effect via the multiple regulation of the signaling pathway. Coincidentally, almost all traditional Chinese medicine (TCM) and worldwide ethnomedicine exert therapeutic effect by targeting multiple molecules of the human body. In this overview, we offer a critique on the present perception of TCM and network pharmacology; illustrate the utility of network pharmacology in the study of single herb, medicine pair, and TCM formula; and summarize the recent progress of TCM‐based drug discovery inspired by network pharmacology. Network pharmacology could be of great help in decreasing drug attrition rate and thus is essential in rational and cost‐effective drug development. We also pinpoint the current TCM issues that could be tackled by the flexible combined use of network pharmacology and relevant disciplines.
Redox Regulation of Cancer Metastasis: Molecular Signaling and Therapeutic Opportunities
Authors: Yang Wenyong , Zou Linzhi , Huang Canhua , Lei Yunlong 
Published: August 2014

Abstract

Preclinical Research

Cancer metastasis is the major cause of cancer‐related mortality. Accumulated evidence has shown that high‐metastasis potential cancer cells have more reactive oxygen species (ROS) accumulation compared with low‐metastasis potential cancer cells. ROS can function as second messengers to regulate multiple cancer metastasis‐related signaling pathways via reversible oxidative posttranslational modifications of cysteine in key redox‐sensitive proteins, which leads to the structural and functional change of these proteins. Because ROS can promote cancer metastasis, therapeutic strategies aiming at inducing/reducing cellular ROS level or targeting redox sensors involved in metastasis hold great potential in developing new efficient approaches for anticancer therapy. In this review, we summarize recent findings on regulation of tumor metastasis by key redox sensors and describe the potential of targeting redox signaling pathways for cancer therapy.
Effects of person‐centred and integrated chronic heart failure and palliative home care. PREFER: a randomized controlled study
Authors: Brännström Margareta , Boman Kurt 
Published: August 2014

AimsWe evaluated the outcome of person‐centred and integrated Palliative advanced home caRE and heart FailurE caRe (PREFER) with regard to patient symptoms, health‐related quality of life (HQRL), and hospitalizations compared with usual care.Methods and resultsFrom January 2011 to October 2012, 36 (26 males, 10 females, mean age 81.9 years) patients with chronic heart failure (NYHA class III–IV) were randomized to PREFER and 36 (25 males, 11 females, mean age 76.6 years) to the control group at a single centre. Prospective assessments were made at 1, 3, and 6 months using the Edmonton Symptom Assessment Scale, Euro Qol, Kansas City Cardiomyopathy Questionnaire, and rehospitalizations. Between‐group analysis revealed that patients receiving PREFER had improved HRQL compared with controls (57.6 ± 19.2 vs. 48.5 ± 24.4, age‐adjusted P‐value = 0.05). Within‐group analysis revealed a 26% improvement in the PREFER group for HRQL (P = 0.046) compared with 3% (P = 0.82) in the control group. Nausea was improved in the PREFER group (2.4 ± 2.7 vs. 1.7 ± 1.7, P = 0.02), and total symptom burden, self‐efficacy, and quality of life improved by 18% (P = 0.035), 17% (P = 0.041), and 24% (P = 0.047), respectively. NYHA class improved in 11 of the 28 (39%) PREFER patients compared with 3 of the 29 (10%) control patients (P = 0.015). Fifteen rehospitalizations (103 days) occurred in the PREFER group, compared with 53 (305 days) in the control group.ConclusionPerson‐centred care combined with active heart failure and palliative care at home has the potential to improve quality of life and morbidity substantially in patients with severe chronic heart failure.Trial registration: NCT01304381
Modified phospholipids: From detergents towards small molecular response modifiers
Authors: Hildmann Annette , Danker Kerstin 
Published: August 2014

Natural living cell membrane phospholipids undergo rapid and continuous turnover that provides essential signalling pathways controlling cell survival. Derived from (lyso)phosphatidylcholine, alkylphopspholipids (APL) were synthesized as metabolically stable analogues 50 years ago. The nature of the chemical structure of APLs allows them to be inserted into membranes easily and partition into the membrane bilayers according to the degree of unsaturation of phospholipid alkyl chains. In an effort to overcome the severe side effects of existing anti‐tumour drugs, novel APLs with variations in alkyl side chain length, glycerol backbone, ester versus ether bonds, and different polar headgroups were developed to combine high anti‐proliferative capacity with reduced cytotoxicity. The platelet activating factor (PAF) is a natural alkylphospholipid. Substituting the sn‐2 position of platelet activating factor with an ether linked C2 spacer coupled to inositol created Inositol‐C2‐PAF. The effects of Inositol‐C2‐PAF can be divided into short‐term and long‐term effects. Short‐term effects include the inhibition of phosphorylation events, resulting in inhibition of cell proliferation and reduced cell migration. Long‐term effects of Inositol‐C2‐PAF, which are characterised by changes in gene expression, include up‐regulation of biological processes linked to cell differentiation or system development.Inspired by the natural phospholipid platelet activating factor (PAF) derivatives are shown, that intercalate in plasma membranes and at sub‐toxic concentrations disturb plasma membrane microdomain composition and/or intracellular responses.
Phosphatidylinositol 3‐Phosphate Mimics Based on a Sulfoquinovose Scaffold: Synthesis and Evaluation as Protein Kinase B Inhibitors
Authors: Gabrielli Luca , Calloni Ilaria , Donvito Giulia , Costa Barbara , Arrighetti Noemi , Perego Paola , Colombo Diego , Ronchetti Fiamma , Nicotra Francesco , Cipolla Laura 
Published: August 2014

AbstractNew sulfoquinovose analogues of phosphatidylinositol 3‐phosphate have been synthesised based on a sulfoquinovose scaffold as potential protein kinase B (PKB) inhibitors. The synthetic strategy involved the introduction into glucose of a thioacetate group at the 6‐position and of an azide group at the anomeric position as precursors of the sulfonate and phosphoramidate moieties present in the final compounds. The synthesised compounds were tested in vitro on isolated PKB by means of ELISA assays and for their anti‐proliferative activity against the human ovarian carcinoma cell line IGROV‐1. Sulfoquinovose derivatives 2b and 2c showed inhibitory activity in the low micromolar range.
Real‐Time Pricing and Hedging of Options on Currency Futures with Artificial Neural Networks
Authors: von Spreckelsen Christian , von Mettenheim Hans‐Jörg , Breitner Michael H. 
Published: August 2014

ABSTRACTHigh‐frequency trading and automated algorithm impose high requirements on computational methods. We provide a model‐free option pricing approach with neural networks, which can be applied to real‐time pricing and hedging of FX options. In contrast to well‐known theoretical models, an essential advantage of our approach is the simultaneous pricing across different strike prices and parsimonious use of real‐time input variables. To test its ability for the purpose of high‐frequency trading, we perform an empirical run‐time trading simulation with a tick dataset of EUR/USD options on currency futures of 4 weeks. In very short non‐overlapping 15‐minute out‐of‐sample intervals, theoretical option prices derived from the Black model compete against nonparametric option prices through two different neural network topologies. We show that the approximated pricing function of learning networks is suitable for generating fast run‐time option pricing evaluation as their performance is slightly better in comparison to theoretical prices. The derivation of the network function is also useful for performing hedging strategies. We conclude that the performance of closed‐form pricing models depends highly on the volatility estimator, whereas neural networks can avoid this estimation problem but require market liquidity for training. Nevertheless, we also have to take particular enhancements into account, which give us useful hints for further research and steps. Copyright © 2014 John Wiley & Sons, Ltd.
DECREASING HARSH DISCIPLINE IN MOTHERS AT RISK FOR MALTREATMENT: A RANDOMIZED CONTROL TRIAL
Authors: Pereira Mariana , Negrão Mariana , Soares Isabel , Mesman Judi 
Published: August 2014

ABSTRACTThis study tested the effectiveness of the attachment‐based program Video‐feedback Intervention to promote Positive Parenting and Sensitive Discipline (VIPP‐SD; F. Juffer, M.J. Bakermans‐Kranenburg, & M.H. van IJzendoorn, 2008) in decreasing harsh discipline of 43 mothers and their 1‐ to 4‐year‐old‐children from severely deprived families. Based on previous studies, parenting stress was tested as a potential moderator of intervention effects on harsh discipline. Using a randomized control design, maternal harsh discipline was observed during home visits at the pretest and posttest, and mothers filled in questionnaires at both assessments. The VIPP‐SD proved to be effective in decreasing maternal harsh discipline, but only for mothers who experienced higher levels of parenting stress at intake. These findings provide support for the program's ability to improve parenting in families who are most at risk for harsh parenting and for potentially maltreating child–parent interactions. The results are discussed in terms of the VIPP‐SD elements most relevant to decreasing harsh discipline, and the challenges of parenting interventions in severely deprived populations.
PROGRESS ON THE PATERNAL BRAIN: THEORY, ANIMAL MODELS, HUMAN BRAIN RESEARCH, AND MENTAL HEALTH IMPLICATIONS
Authors: Swain J.E. , Dayton C.J. , Kim P. , Tolman R.M. , Volling B.L. 
Published: August 2014

ABSTRACTWith a secure foundation in basic research across mammalian species in which fathers participate in the raising of young, novel brain‐imaging approaches are outlining a set of consistent brain circuits that regulate paternal thoughts and behaviors in humans. The newest experimental paradigms include increasingly realistic baby‐stimuli to provoke paternal cognitions and behaviors with coordinated hormone measures to outline brain networks that regulate motivation, reflexive caring, emotion regulation, and social brain networks with differences and similarities to those found in mothers. In this article, on the father brain, we review all brain‐imaging studies on PubMed to date on the human father brain and introduce the topic with a selection of theoretical models and foundational neurohormonal research on animal models in support of the human work. We discuss potentially translatable models for the identification and treatment of paternal mood and father–child relational problems, which could improve infant mental health and developmental trajectories with potentially broad public health importance.
AKT as Locus of Cancer Phenotype
Authors: Radisavljevic Ziv 
Published: August 2014

AbstractCancer robustness is generated by the positive feedback loops. The positive loops hyperactivate AKT locus forming a cancer phenotype in leukemia, lymphoma, myeloma, plasmocytoma, sarcoma and carcinoma. The positive loops inducing AKT hyperphosphorylation increase activity of the AKT locus and the nodal associated and interconnected signaling genes. Only genes expressed above the threshold in the AKT signaling interactome networks, participate in the formation of the complex cancer phenotype. AKT is the switching locus for the cancer phenotype. The phenotype formation and maintenance is regulated by the AKT locus through an entropy/enthalpy processes. Targeting the AKT by locus chemotherapy, changing redox balance (antioxidant/oxidant), affects phosphorylation and activity of the AKT, inducing conversion of the positive feedback loops and disappearance of the malignant phenotype. J. Cell. Biochem. 116: 1–5, 2015. © 2014 Wiley Periodicals, Inc.
Glycogen Synthase Kinase 3 Regulates IL‐1β Mediated iNOS Expression in Hepatocytes by Down‐Regulating c‐Jun
Authors: Lakshmanan Jaganathan , Zhang Baochun , Nweze Ikenna C. , Du Yibo , Harbrecht Brian G. 
Published: August 2014

ABSTRACTExcessive nitric oxide from the inducible nitric oxide synthase (iNOS) increases shock‐induced hepatic injury, hepatic dysfunction, inflammation, and mortality in animal models. Cytokines increase the expression of iNOS in hepatocytes, but the signaling mechanisms involved are not completely understood. We have previously demonstrated that Akt mediates the inhibitory effect of cAMP and insulin on cytokine‐induced hepatocyte iNOS expression. We hypothesized that glycogen synthase kinase 3 (GSK3), a target of Akt phosphorylation, would regulate hepatocyte iNOS expression. In cultured rat hepatocytes, GSK3 inhibitors decreased IL‐1β mediated nitric oxide (NO) production and iNOS protein expression, while the phosphatidylinositol 3‐kinase (PI3K)/Akt pathway inhibitor LY294002 increased the cytokine‐mediated NO production and iNOS expression. Over‐expression of the constitutively active form of GSK3β enhanced IL‐1β‐mediated iNOS expression. GSK3 catalyzes the phosphorylation of c‐Jun at the c‐terminal Thr239 that facilitates c‐Jun degradation. Inhibition of GSK3 with SB216763 and lithium chloride significantly reduced, whereas blocking PI3K/Akt increased phosphorylation of c‐Jun at Thr239. The levels of total‐c‐Jun and c‐Jun phosphorylated at Ser63 inversely correlated with c‐Jun phosphorylated at Thr239, GSK3 activation and iNOS expression. Over‐expression of a dominant negative c‐Jun not only caused an increase in IL‐1β‐mediated iNOS promoter activity and iNOS protein expression but was also able to reverse the SB216763‐mediated suppression of iNOS. These results demonstrate that GSK3, a downstream target of Akt, regulates IL‐1β‐stimulated iNOS expression in hepatocytes by directly phosphorylating c‐Jun in an inhibitory manner. J. Cell. Biochem. 116: 133–141, 2015. © 2014 Wiley Periodicals, Inc.
A Facile and One‐pot Synthetic Route to Functionalized Ethyl 3‐(Alkanoyl)‐2‐(alkyl imino)‐2,3‐dihydrothiazole‐4‐carboxylate Derivatives under Mild, Solventand Catalyst‐free Conditions
Authors: Iravani Nasir , Keshavarz Mosadegh , Haghnegahdar Tahereh , Salehi Maral 
Published: August 2014

AbstractA new one‐pot, four‐component synthetic rout is reported for the preparation of functionalized N‐acyl‐2alkylimino‐2,3‐dihydrothiazole derivatives from the reaction between acid chlorides, ammonium thiocyanate, primary alkylamines, and ethyl bromopyruvate under mild, solvent‐ and catalyst‐free conditions at room temperature. This completely green and efficient straight forward procedure led to the desired products in good to high yields without any need to catalyst or solvent assistance and no by product was observed in all the reactions