bluuebunny/crossref_metadata_2025 huggingface dataset:
Are dietary factors associated with cardiometabolic risk factors in patients with non-alcoholic fatty liver disease?
Authors: Topal Gulsum Gizem , Sevim Sumeyra , Gumus Damla , Balaban Hatice Yasemin , Karçaaltıncaba Muşturay , Kizil Mevlude
Published: July 2024

Background

Non-alcoholic fatty liver disease (NAFLD) is intricately linked with dietary patterns and metabolic homeostasis. Therefore, the present study focused to investigate the relation between dietary patterns and cardiometabolic risk factors related to fatty liver in NAFLD patients.

Methods

This cross-sectional study included 117 individuals whose body mass index (BMI) threshold of 25 or above diagnosed with NAFLD by magnetic resonance imaging. The hospital database was used to review the patients’ medical records such as lipid parameters, and fasting blood sugar. Anthropometric measurements and body composition were measured by researchers. Likewise, data from 24-h dietary recalls of individuals were collected to analyze their energy and nutrient intakes besides calculating dietary insulin index (DII), dietary insulin load (DIL), dietary glycemic index (DGI), and dietary glycemic load (DGL).

Results

Participants consuming diets with distinct levels of DII, DIL, DGI, and DGL exhibited variations in dietary energy and nutrient intake. Specifically, differences were noted in carbohydrate intake across quartiles of DII, DIL, DGI, and DGL, while fructose consumption showed variability in DGL quartiles (p ≤ 0.05). Moreover, sucrose intake demonstrated distinctions in both DII and DGL quartiles (p ≤ 0.05). No statistical difference was found in biochemical parameters and the fatty liver index among different levels of DII, DIL, DGI, and DGL (p > 0.05). After adjusting for potential confounders, participants with a higher DGI had four times greater odds of developing metabolic syndrome compared to those in the bottom quartile (OR, 4.32; 95% CI [1.42–13.11]).

Conclusion

This study provides initial evidence of the intricate association between dietary factors and NAFLD, emphasizing the necessity for further research including prospective designs with larger sample sizes, to garner additional insights.
Acute effects of voluntary isometric contractions at maximal shortening vs. ballistic stretching on flexibility, strength and jump
Authors: Hernández-Trujillo J. Artemi , González-Rivera María Dolores , Romero-Franco Natalia , González-Hernández Jorge M.
Published: July 2024

Background

Isometric training is used in sport, conventional physical activity and rehabilitation. Understandably, there is a great deal of research related to its effect on performance. It is known that the length of the muscle at the moment of contraction is a determinant of strength levels. In the literature we find research on isometric training in short muscle lengths, although it has not been studied in maximally shortened positions or the acute effects that occur after its application. Ballistic stretching (BS) is also popular in sport. Their execution involves actively reaching maximally shortened muscle positions. So far, isometric training has not been compared with protocols involving ballistic stretching. Considering the above, the aim of the present study was to investigate the effects of BS and voluntary isometric contraction at maximal shortening (VICAMS) on range of motion, strength and vertical jump.

Methods

The study involved 60 healthy, physically active individuals (40 and 52 years old) who were randomly assigned to three groups: BS, VICAMS and a control group (CG). To assess acute effects, before and after the intervention, active range of motion (AROM), maximal voluntary isometric force (MVIF) and countermovement jump height (CMJ) were determined.

Results

Time main effects and time*group interactions were found for all variables (p < 0.001). Between-group differences were shown for the VICAMS group after the intervention, with statistically significant higher AROM values compared to the other groups. MVIF values were also higher in the VICAMS group. Intra-group differences were observed for the VICAMS and Ballistic groups, as values on all variables increased from baseline. For the CMJ, intra-group differences showed that both the VICAMS and BS groups improved values compared to baseline values.

Conclusions

The application of VICAMS induced acute improvements over BS in AROM, MVIF and CMJ. These results are important for coaches seeking immediate performance improvement and offer an optimal solution to the warm-up protocol.
Repetitive Transcranial Magnetic Stimulation (rTMS) Therapy in Mood Disorders and Generalized Anxiety Disorder (GAD)
Authors: Ugbenin Blessing Eseleose , Mgbeanuli Chibuike Chinonso
Published: July 2024

Repetitive transcranial magnetic stimulation (rTMS) is a non-invasive neurostimulation technique increasingly investigated for its therapeutic potential in mood disorders and related brain conditions. This paper using content analysis reviewed literatures and summarized current research on the efficacy and safety of rTMS in treating mood disorders, including major depressive disorder (MDD), bipolar disorder (BD), and Generalized Anxiety Disorders (GAD). Studies suggest that rTMS may offer significant improvements in depressive symptoms and mood regulation, particularly in individuals who have not responded to traditional treatments. Mechanisms of action involve modulation of cortical excitability and neural circuitry implicated in mood regulation. While rTMS demonstrates promise as a well-tolerated intervention with minimal side effects, further research is needed to optimize treatment protocols, identify patient-specific predictors of response, and elucidate long-term outcomes. Understanding the role of rTMS in mood disorder management holds potential for advancing personalized treatment approaches and improving overall patient outcomes. The paper concludes that rTMS is a promising intervention for individuals with major depressive disorder (MDD), and generalized anxiety disorder (GAD). Finally, it was recommended that further studies should be conducted on the efficacy or rTMS on mood disorders generally.
Traditional Myths and Development Thought: Insights from the Murang Community in Bangladesh
Authors: Shah Md. Mojahar Rahman
Published: July 2024

Aims: The study aims to understand the role of traditional myths in making and unmaking development thought among the Murang community in Bangladesh. It explored the traditional myths related to development thought, interrelations between the myths and conventional development, and how different myths make and unmake development thought in line with sustainable development goals.
Place and Duration of the Study: The fieldwork was conducted at the Alikadam in Bandarban district of the Chittagong Hill Tracts in Bangladesh from May to June 2022.
Methodology: Data collected by In-depth interview, Case study, KII, and validated through FGD. Data were analyzed thematically based on interlinked contents and themes.
Findings: A total of 13 traditional myths are found among the Murang community about safeguarding their traditional culture, heritage, tradition, livelihoods, and biodiversity. The interrelations between the myths and the development thought are ambiguous. These myths are too little connected to conventional development thought and interventions. Myths denote the thought of coexisting with the environment, biodiversity, food preservation, global warming, indigenous knowledge, forest preservation, balanced resource distribution, health, hygiene, water management, social solidarity, and normative social behaviors. These thoughts are akin to sustainable development goals, and are transmitted from generation to generation. The community unmakes the thought of infrastructure development and makes own development thought.
Conclusion: The development policies and interventions should integrate local culture, language, knowledge, politics, and bio-cultural diversity of the Chittagong Hill Tracts in Bangladesh.
Reducing nonuniqueness in finite source inversion using rotational ground motions
Authors: Bernauer M. , Fichtner A. , Igel H.
Published: May 2014

We assess the potential of rotational ground motion recordings to reduce nonuniqueness in kinematic source inversions, with emphasis on the required measurement accuracy of currently developed rotation sensors. Our analysis is based on synthetic Bayesian finite source inversions that avoid linearizations and provide a comprehensive quantification of uncertainties and trade‐offs. Using the fault and receiver geometry of the Tottori 2000 earthquake as a test bed, we perform inversions for two scenarios: In scenario I, we use translational velocity recordings only. In scenario II, we randomly replace half of the velocity recordings by rotation recordings, thus keeping the total amount of data constant. To quantify the noise‐dependent impact of rotation recordings, we perform a sequence of inversions with varying noise levels of rotations relative to translations. Our results indicate that the incorporation of rotational ground motion recordings can significantly reduce nonuniqueness in finite source inversions, provided that measurement uncertainties are similar to or below the uncertainties of translational velocity recordings. When this condition is met, rupture velocity and rise time benefit most from rotation data. The trade‐offs between both parameters are then strongly reduced, and the information gain nearly doubles. This suggests that rotational ground motion recordings may improve secondary inferences that rely on accurate information about rise time and rupture velocity. These include frictional properties of the fault, radiation directivity, and ground motion in general.
The NOW regional coupled model: Application to the tropical Indian Ocean climate and tropical cyclone activity
Authors: Samson G. , Masson S. , Lengaigne M. , Keerthi M. G. , Vialard J. , Pous S. , Madec G. , Jourdain N. C. , Jullien S. , Menkes C. , Marchesiello P.
Published: May 2014

This paper presents the NOW regional coupled ocean‐atmosphere model built from the NEMO ocean and WRF atmospheric numerical models. This model is applied to the tropical Indian Ocean, with the oceanic and atmospheric components sharing a common ¼° horizontal grid. Long experiments are performed over the 1990–2009 period using the Betts‐Miller‐Janjic (BMJ) and Kain‐Fritsch (KF) cumulus parameterizations. Both simulations produce a realistic distribution of seasonal rainfall and a realistic northward seasonal migration of monsoon rainfall over the Indian subcontinent. At subseasonal time scales, the model reasonably reproduces summer monsoon active and break phases, although with underestimated rainfall and surface wind signals. Its relatively high resolution results in realistic spatial and seasonal distributions of tropical cyclones, but it fails to reproduce the strongest observed cyclone categories. At interannual time scales, the model reproduces the observed variability associated with the Indian Ocean Dipole (IOD) and the delayed basin‐wide warming/cooling induced by the El Niño Southern Oscillation (ENSO). The timing of IOD occurrence in the model generally matches that of the observed events, confirming the influence of ENSO on the IOD development (through the effect of lateral boundary conditions in our simulations). Although the KF and BMJ simulations share a lot in common, KF strongly overestimates rainfall at all time scales. KF also overestimates the number of simulated cyclones by a factor two, while simulating stronger events (up to 55 m s−1) compared to BMJ (up to 40 m s−1). These results could be related to an overly active cumulus parameterization in KF.
A novel fluidized and induction heated microreactor for catalyst testing
Authors: Latifi Mohammad , Berruti Franco , Briens Cedric
Published: May 2014

The jiggled bed reactor (JBR) is a state‐of‐the‐art batch fluidized microreactor designed and developed to test catalysts for endothermic reactions. The solid particles in the microreactor are mechanically fluidized by agitating the reactor using a linear pneumatic actuator. An external induction field heats up vertical metal wires installed inside the reactor bed to generate heat rapidly and uniformly within the bed of solid particles, while eliminating hot spots and large temperature gradients. Image and signal processing techniques were utilized to investigate how the fluidization dynamics of the solid particles are affected by the amplitude and frequency of the vibrations, and the size distribution and the mass of the particles. The results show that the microreactor is very flexible: operating conditions can be optimized to successfully fluidize any type of catalyst. Heat‐transfer coefficients between heating surfaces and the bed are similar to the coefficients that could be obtained in a well‐bubbling fluidized bed. This confirms the excellent quality of the fluidization achieved with the new JBR. © 2014 American Institute of Chemical Engineers AIChE J, 60: 3107–3122, 2014
High performance materials based on a self‐assembled multiple‐percolated ternary blend
Authors: Ravati Sepehr , Beaulieu Christine , Zolali Ali M. , Favis Basil D.
Published: May 2014

In this study, it will be shown that morphologically tailored tricontinuous ternary blends, comprising polybutylene succinate (PBS), polylactic acid (PLA), and poly (butylene adipate‐co‐terephthalate)(PBAT), can generate new materials with excellent properties. Detailed morphological analysis is used to establish that all three phases in the ternary 33%PBS/33%PLA/33%PBAT blend morphology are highly continuous with a phase structure dominated by complete wetting dynamics. PBS is shown to situate itself between PLA and PBAT. This melt processed, self‐assembled, multiple percolated, blend possesses a high elongation at break (567%), high Young's modulus (1130 MPa), high impact strength (271 J/m), and a storage modulus about 50% higher than pure PBS at room temperature. None of the neat materials demonstrate this combination of high properties and the synergy derives from the tricontinuous structure of the system. The ternary nature of the blend allows for a modulation of the crystallinity behavior as examined by differential scanning calorimeter and X‐ray Diffraction. © 2014 American Institute of Chemical Engineers AIChE J, 60: 3005–3012, 2014
Whole‐body mapping of spatial acuity for pain and touch
Authors: Mancini Flavia , Bauleo Armando , Cole Jonathan , Lui Fausta , Porro Carlo A. , Haggard Patrick , Iannetti Gian Domenico
Published: May 2014

Objective

Tactile spatial acuity is routinely tested in neurology to assess the state of the dorsal column system. In contrast, spatial acuity for pain is not assessed, having never been systematically characterized. More than a century after the initial description of tactile acuity across the body, we provide the first systematic whole‐body mapping of spatial acuity for pain.

Methods

We evaluated the 2‐point discrimination thresholds for both nociceptive‐selective and tactile stimuli across several skin regions. Thresholds were estimated using pairs of simultaneous stimuli, and also using successive stimuli.

Results and interpretation

These two approaches produced convergent results. The fingertip was the area of highest spatial acuity, for both pain and touch. On the glabrous skin of the hand, the gradient of spatial acuity for pain followed that observed for touch. On the hairy skin of the upper limb, spatial acuity for pain and touch followed opposite proximal–distal gradients, consistent with the known innervation density of this body territory. Finally, by testing spatial acuity for pain in a rare participant completely lacking Aβ fibers, we demonstrate that spatial acuity for pain does not rely on a functioning system of tactile primary afferents. This study represents the first systematic characterization of spatial acuity for pain across multiple regions of the body surface. Ann Neurol 2014;75:917–924
Facile One‐Pot, One‐Step Synthesis of a Carbon Nanoarchitecture for an Advanced Multifunctonal Electrocatalyst
Authors: Wen Zhenhai , Ci Suqin , Hou Yang , Chen Junhong
Published: May 2014

A one‐pot/one‐step synthesis strategy was developed for the preparation of a nitrogen‐doped carbon nanoarchitecture with graphene‐nanosheet growth on the inner surface of carbon nanotubes (CNTs). The N‐graphene/CNT hybrids exhibit outstanding electrocatalytic activity for several important electrochemical reactions as a result of their unique morphology and defect structures, such as high but uniform nitrogen doping, graphene insertion into CNTs, considerable surface area, and the presence of iron nanoparticles. The high‐yield synthetic process features high efficiency, low‐cost, straightforward operation, and simple equipment.
The influence of molar mass on rheological and dilute solution properties of poly(butylene succinate)
Authors: Garin Matthieu , Tighzert Lan , Vroman Isabelle , Marinkovic Sinisa , Estrine Boris
Published: May 2014

The fundamental rheological properties of a wide molar mass Mw range of poly(butylene succinate)s (PBSs) are investigated. For entangled samples and a reference temperature of 140°C, the shear viscosity is described by the Carreau–Yasuda model. The plateau modulus is estimated at 1.5 × 105 Pa, the average activation energy of PBS melt is
, and the critical molar mass for entanglement Mc is found to be 16,000 g mol−1 (PS equivalent). The dilute solution properties of PBS are also studied. A size exclusion chromatography equipped with a triple detection system is used to estimate the Mark–Houwink–Sakurada (MHS) parameters of PBS in solution in chloroform at 30°C. The exponent a and the coefficient K of the MHS relationship are found to be 0.71 ± 0.1 and 39.94 × 10−5 ± 6.31 × 10−5 dL g−1(g mol−1)−a, respectively. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40887.
Highly antibacterial and toughened polystyrene composites with silver nanoparticles modified tetrapod‐like zinc oxide whiskers
Authors: Pan Xiaoyong , Peng Ling , Liu Yong , Wang Jie
Published: May 2014

In this work, high‐performance multifunctional composites were obtained by melt blending silver deposited tetrapod‐like zinc oxide whiskers (Ag‐ZnOw) with polystyrene (PS). The chemical, spectroscopic, antibacterial, mechanical, and morphological properties of the PS/Ag‐ZnOw composites were carefully investigated and discussed. The obtained PS/Ag‐ZnOw composites characterized remarkable antibacterial activity against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). Moreover, it is found that impact strength of the composite increase with increasing nanofiller concentration (up to 0.25 wt %). Morphological characterization of the impact fractured surface of composites revealed that toughening was achieved through uniform filler distribution in the polymer matrix, and anchoring effect was imparted by the tetrapod‐like shape of ZnO whiskers. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40900.
Spectrofluorimetric analysis of ethopabate in veterinary formulations with application to residue determination in chicken muscles and liver
Authors: Nasr Jenny Jeehan , Shalan Shereen
Published: May 2014

Ethopabate is a veterinary drug used in the prophylaxis and treatment of coccidiosis in chickens. The presence of drug residues in edible tissues can be dangerous to human consumers. It may cause direct toxic effects, allergic reactions and increased bacterial resistance. A highly sensitive, simple and rapid spectrofluorimetric method was developed for the determination of ethopabate in its veterinary formulations. The proposed method is based on measuring the native fluorescence of ethopabate in water at 364 nm after excitation at 270 nm. The fluorescence–concentration plot was rectilinear over the range of 2–100 ng/mL, with a limit of detection of 2.9 ng/g and a limit of quantification of 9.8 ng/g for ethopabate. The method was successfully applied to the analysis of ethopabate in its commercial veterinary formulations and the results were in good agreement with those obtained with the reference method. The method was extended to the determination of ethopabate residues in chicken muscles and liver, and the results were satisfactory. The recoveries obtained were in the 108.36–113.42% range. No organic solvents are used in the procedure, so it can be considered a type of ‘green’ chemistry. Copyright © 2014 John Wiley & Sons, Ltd.
Vicilin‐like peptides from Capsicum baccatum L. seeds are α‐amylase inhibitors and exhibit antifungal activity against important yeasts in medical mycology
Authors: Vieira Bard Gabriela C. , Nascimento Viviane V. , Oliveira Antônia Elenir A. , Rodrigues Rosana , Da Cunha Maura , Dias Germana B. , Vasconcelos Ilka M. , Carvalho Andre O. , Gomes Valdirene M.
Published: May 2014

The objective of this study was to isolate antimicrobial peptides from Capsicum baccatum seeds and evaluate their antimicrobial activity and inhibitory effects against α‐amylase. Initially, proteins from the flour of C. baccatum seeds were extracted in sodium phosphate buffer, pH 5.4, and precipitated with ammonium sulfate at 90% saturation. The D1 and D2 fractions were subjected to antifungal tests against the yeasts Saccharomyces cerevisiae, Candida albicans, Candida tropicalis, and Kluyveromyces marxiannus, and tested against α‐amylases from Callosobruchus maculates and human saliva. The D2 fraction presented higher antimicrobial activity and was subjected to further purification and seven new different fractions (H1–H7) were obtained. Peptides in the H4 fraction were sequenced and the N‐terminal sequences revealed homology with previously reported storage vicilins from seeds. The H4 fraction exhibited strong antifungal activity and also promoted morphological changes in yeast, including pseudohyphae formation. All fractions, including H4, inhibited mammalian α‐amylase activity but only the H4 fraction was able to inhibit C. maculatus α‐amylase activity. These results suggest that the fractions isolated from the seeds of C. baccatum can act directly in plant defenses against pathogens and insects. © 2014 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 102: 335–343, 2014.
On the Complementarity of ECD and VCD Techniques
Authors: Nicu Valentin Paul , Mándi Attila , Kurtán Tibor , Polavarapu Prasad L.
Published: May 2014

An unprecedented complementarity of electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectroscopic techniques is demonstrated by showing that each technique reveals the structure of a different molecular segment. Using a flexible molecule of biological significance we show that the synergetic use of ECD and VCD yields more complete structural characterization as it provides improved and more reliable conformer resolution. Chirality 26:525–531, 2014. © 2014 Wiley Periodicals, Inc.
GAGA protein is essential for male germ cell development in Drosophila
Authors: Dorogova Natalia V. , Fedorova Elena V. , Bolobolova Elena Us. , Ogienko Anna A. , Baricheva Elina M.
Published: May 2014

The Drosophila Trithorax‐like (Trl) gene encodes a GAGA factor which regulates a number of developmentally important genes. In this study, we identify a new function for Drosophila GAGA factor in male germ cell development. Trl mutants carrying strong hypomorphic alleles display loss of primordial germ cells during their migration in embryogenesis and severe disruption in mitochondria structure during early spermatogenesis. The mutation resulted in small testes formation, a deficit of germ cells, abnormal mitochondrial morphogenesis, spermatocyte death through autophagy, and partial or complete male sterility. Pleiotropic mutation effects can be explained by the misexpression of GAGA factor target genes, the products of which are required for germ cell progression into mature sperm. genesis 52:738–751, 2014. © 2014 Wiley Periodicals, Inc.
Cyclobutadiene automerization and rotation of ethylene: Energetics of the barriers by using Spin‐polarized wave functions
Authors: San‐Fabián Emilio , Moscardó Federico
Published: May 2014

Spin‐projected spin polarized Møller–Plesset and spin polarized coupled clusters calculations have been made to estimate the cyclobutadiene automerization, the ethylene torsion barriers in their ground state, and the gap between the singlet and triplet states of ethylene. The results have been obtained optimizing the geometries at MP4 and/or CCSD levels, by an extensive Gaussian basis set. A comparative analysis with more complex calculations, up to MP5 and CCSDTQP, together with others from the literature, have also been made, showing the efficacy of using spin‐polarized wave functions as a reference wave function for Møller–Plesset and coupled clusters calculations, in such problems. © 2014 Wiley Periodicals, Inc.
Synthesis and characterization of polybutylacrylate viscosity index improver with anti‐wear function
Authors: Cai Guoxing , Zhang Letao , Ma Li , Eli Wumanjiang
Published: May 2014

A new anti‐wear polybutylacrylate viscosity index improver was prepared and evaluated for lube oil. First, RAFT polymerization of n‐butyl acrylate was carried out, then the polymer intermediate was esterified with n‐butanol, and finally, the polybutylacrylate was obtained. Molecular weight test showed that the Reversible Addition‐Fragmentation Chain Transfer (RAFT) polymerization could obtain the expected molecular weight polymer by controlling the adding amount of RAFT agent. Rotary bomb oxidation test and thermogravimetric analysis demonstrated that this polybutylacrylate had excellent oxidation stability and thermal stability. Anti‐wear test and shear stability test showed that the polybutylacrylate had good anti‐wear property and shear stability. The effects on trihydroxymethyl propane triheptanoate showed that this polybutylacrylate not only could improve the viscosity index but also could improve the anti‐wear property of base oil. And the performance of this polybutylacrylate is affected by their molecular weight. Copyright © 2014 John Wiley & Sons, Ltd.
Apathy in Parkinson's disease is associated with nucleus accumbens atrophy: A magnetic resonance imaging shape analysis
Authors: Carriere Nicolas , Besson Pierre , Dujardin Kathy , Duhamel Alain , Defebvre Luc , Delmaire Christine , Devos David
Published: May 2014

Apathy is characterized by lack of interest, loss of initiative, and flattening of affect. It is a frequent, very disabling nonmotor complication of Parkinson's disease (PD). The condition may notably occur when dopaminergic medications are tapered after the initiation of subthalamic stimulation and thus can be referred to as “dopaminergic apathy.” Even in the absence of tapering, some patients may develop a form of apathy as PD progresses. This form is often related to cognitive decline and does not respond to dopaminergic medications (dopa‐resistant apathy). We aimed at determining whether dopa‐resistant apathy in PD is related to striatofrontal morphological changes. We compared the shape of the striatum (using spherical harmonic parameterization and sampling in a three‐dimensional point distribution model [SPHARM‐PDM]), cortical thickness, and fractional anisotropy (using tract‐based spatial statistics) in 10 consecutive patients with dopamine‐refractory apathy, 10 matched nonapathetic PD patients and 10 healthy controls. Apathy in PD was associated with atrophy of the left nucleus accumbens. The SPHARM‐PDM analysis highlighted (1) a positive correlation between the severity of apathy and atrophy of the left nucleus accumbens, (2) greater atrophy of the dorsolateral head of the left caudate in apathetic patients than in nonapathetic patients, and (3) greater atrophy in the bilateral nucleus accumbens in apathetic patients than in controls. There were no significant intergroup differences in cortical thickness or fractional anisotropy. Dopa‐resistant apathy in PD was associated with atrophy of the left nucleus accumbens and the dorsolateral head of the left caudate. © 2014 International Parkinson and Movement Disorder Society
Antiplasmodial activity study of angiotensin II via Ala scan analogs
Authors: Silva Adriana Farias , Bastos Erick Leite , Torres Marcelo Der Torossian , Costa‐da‐Silva André Luis , Ioshino Rafaella Sayuri , Capurro Margareth Lara , Alves Flávio Lopes , Miranda Antonio , de Freitas Fischer Vieira Renata , Oliveira Vani Xavier
Published: May 2014

Angiotensin II (AII) as well as analog peptides shows antimalarial activity against Plasmodium gallinaceum and Plasmodium falciparum, but the exact mechanism of action is still unknown. This work presents the solid‐phase synthesis and characterization of eight peptides corresponding to the alanine scanning series of AII plus the amide‐capped derivative and the evaluation of the antiplasmodial activity of these peptides against mature P. gallinaceum sporozoites. The Ala screening data indicates that the replacement of either the Ile5 or the His6 residues causes minor effects on the in vitro antiplasmodial activity compared with AII, i.e. AII (88%), [Ala6]‐AII (79%), and [Ala5]‐AII (75%). Analogs [Ala3]‐AII, [Ala1]‐AII, and AII‐NH2 showed antiplasmodial activity around 65%, whereas the activity of the [Ala8]‐AII, [Ala7]‐AII, [Ala4]‐AII, and [Ala2]‐AII analogs is lower than 45%. Circular dichroism data suggest that AII and the most active analogs adopt a β‐fold conformation in different solutions. All AII analogs, except [Ala4]‐AII and [Ala8]‐AII, show contractile responses and interact with the AT1 receptor, [Ala5]‐AII and [Ala6]‐AII. In conclusion, this approach is helpful to understand the contribution of each amino acid residue to the bioactivity of AII, opening new perspectives toward the design of new sporozoiticidal compounds. Copyright © 2014 European Peptide Society and John Wiley & Sons, Ltd.
The composite‐tendency Robert–Asselin–Williams (RAW) filter in semi‐implicit integrations
Authors: Amezcua Javier , Williams Paul D.
Published: May 2014

Time discretization in weather and climate models introduces truncation errors that limit the accuracy of the simulations. Recent work has yielded a method for reducing the amplitude errors in leap‐frog integrations from first‐order to fifth‐order. This improvement is achieved by replacing the Robert–Asselin filter with the Robert–Asselin–Williams (RAW) filter and using a linear combination of unfiltered and filtered states to compute the tendency term. The purpose of the present article is to apply the composite‐tendency RAW‐filtered leap‐frog scheme to semi‐implicit integrations. A theoretical analysis shows that the stability and accuracy are unaffected by the introduction of the implicitly treated mode. The scheme is tested in semi‐implicit numerical integrations in both a simple nonlinear stiff system and a medium‐complexity atmospheric general circulation model and yields substantial improvements in both cases. We conclude that the composite‐tendency RAW‐filtered leap‐frog scheme is suitable for use in semi‐implicit integrations.
Urological fistulas after fetal cystoscopic laser ablation of posterior urethral valves: surgical technical aspects
Authors: Sananes N. , Favre R. , Koh C. J. , Zaloszyc A. , Braun M. C. , Roth D. R. , Moog R. , Becmeur F. , Belfort M. A. , Ruano R.
Published: May 2014

Objective

To describe the surgical technical aspects associated with the development of urological fistulas after fetal antegrade cystoscopic laser fulguration of the posterior urethral valves (PUV).

Methods

The perioperative data for all fetal cystoscopies performed between January 2004 and August 2013 at three institutions in the USA, France and Brazil were reviewed, with particular emphasis on surgical technical aspects of the procedure and the complications encountered.

Results

A total of 40 fetal cystoscopies were performed at the three institutions. Laser fulguration of the PUV was performed in 23 of these cases, with a survival rate of 60.9% (14/23) and normal renal function in 85.7% (12/14) of these infants. Urological fistulas were diagnosed postnatally in four (10%) newborns. The presence of fistulas was associated with a higher gestational age at diagnosis of PUV (P < 0.01) and with the use of semi‐curved rather than curved sheaths (P < 0.01), the use of a diode laser (P < 0.01) and the use of higher laser power and energy (P < 0.01 and P < 0.01, respectively), as well as with less operator experience (P < 0.01) and with absence of fetal anesthesia/immobilization (P = 0.02).

Conclusion

Urological fistulas are a severe complication of fetal cystoscopic laser fulguration of PUV and are associated with type, energy and power settings of the laser and instrumentation. The use of appropriate technique and proper training of the operator are necessary to perform this fetal intervention safely. Copyright © 2014 ISUOG. Published by John Wiley & Sons Ltd.
Connection to parents and healthy separation during adolescence: A longitudinal perspective
Authors: Ponappa Sujata , Bartle‐Haring Suzanne , Day Randal
Published: May 2014

The purpose of our study was to investigate how connection between parents and children influences the child's healthy separation during adolescence. We analyzed 3 waves of panel data from a study (Flourishing Families Project) of 500 families with children who were 10–13 years old at Time 1. This study includes information from the perspective of the child and his/her mother over a 4 year period for two‐parent families and mother‐headed households. Findings supported our hypothesis that a mutual sense of connection between mothers and adolescents supported the adolescent's healthy separation over time, with differences due to sex of the child, ethnicity and income. Pubertal maturation was negatively associated with the sense of connection between adolescents and mothers in our sample of young adolescents. We discuss these findings in relation to previous literature.
Los emprendedores surgidos de las empresas multinacionales de inversión extranjera directa: un estudio exploratorio en Costa Rica
Authors: Leiva Juan Carlos , Alegre Joaquín , Monge Ricardo
Published: May 2014

El presente trabajo busca evaluar la creación de empresas por parte de ex empleados de empresas multinacionales de inversión extranjera directa. En concreto, se busca dimensionar el fenómeno, caracterizarlo, así como valorar el desempeño de las empresas creadas. El estudio se hizo mediante un muestreo aleatorio simple con margen de error del 7% y nivel de confianza del 95%, sobre una base de datos de 11.120 ex empleados de empresas multinacionales en Costa Rica (n = 175). Además se utilizó un grupo control ad hoc. Los resultados muestran cómo son estos emprendedores, el proceso creador experimentado, las características y el desempe˜no de las nuevas empresas.
Three children with autism spectrum disorder learn to perform a three‐step communication sequence using an iPad®‐based speech‐generating device
Authors: Waddington Hannah , Sigafoos Jeff , Lancioni Giulio E. , O'Reilly Mark F. , van der Meer Larah , Carnett Amarie , Stevens Michelle , Roche Laura , Hodis Flaviu , Green Vanessa A. , Sutherland Dean , Lang Russell , Marschik Peter B.
Published: May 2014

Background

Many children with autism spectrum disorder (ASD) have limited or absent speech and might therefore benefit from learning to use a speech‐generating device (SGD). The purpose of this study was to evaluate a procedure aimed at teaching three children with ASD to use an iPad®‐based SGD to make a general request for access to toys, then make a specific request for one of two toys, and then communicate a thank‐you response after receiving the requested toy.

Method

A multiple‐baseline across participants design was used to determine whether systematic instruction involving least‐to‐most‐prompting, time delay, error correction, and reinforcement was effective in teaching the three children to engage in this requesting and social communication sequence. Generalization and follow‐up probes were conducted for two of the three participants.

Results

With intervention, all three children showed improvement in performing the communication sequence. This improvement was maintained with an unfamiliar communication partner and during the follow‐up sessions.

Conclusion

With systematic instruction, children with ASD and severe communication impairment can learn to use an iPad‐based SGD to complete multi‐step communication sequences that involve requesting and social communication functions.
Electrochemical tuning of oxygen-containing groups on graphene oxides: towards control of the performance for the analysis of biomarkers
Authors: Lim Chee Shan , Ambrosi Adriano , Pumera Martin
Published: May 2014

Graphene materials are very popular in the field of biosensing owing to their distinctive characteristics.
Amorphous Fe2+-rich FeOx loaded in mesoporous silica as a highly efficient heterogeneous Fenton catalyst
Authors: Wang Min , Shu Zhu , Zhang Lingxia , Fan Xiangqian , Tao Guiju , Wang Yongxia , Chen Lisong , Wu Meiying , Shi Jianlin
Published: May 2014

High dispersion of a large amount of Fe2+-rich FeOx and unblocked pore channels of catalysts obtained by physical-vapor-infiltration facilitate the Fenton reaction.
An intracellularly activatable, fluorogenic probe for cancer imaging
Authors: Tian Ruisong , Li Mingjie , Wang Jin , Yu Min , Kong Xiuqi , Feng Yupeng , Chen Zeming , Li Yuxi , Huang Weiqiang , Wu Wenjie , Hong Zhangyong
Published: May 2014

A newly designed, dual-functional probe based on intracellular activation has been successfully developed for the detection of cancer cells.
DFT study on the effects of defect and metal-doping on the decomposition of H2S on the α-Fe2O3(0001) surface
Authors: Ling Lixia , Song Jiajia , Zhao Senpeng , Zhang Riguang , Wang Baojun
Published: May 2014

The adsorption and decomposition mechanisms of H2S on different α-Fe2O3(0001) surfaces, including Fe-vacancy, O-vacancy, sulfurized and Cu-, Zn- and Co-doped surfaces, have been studied systematically using periodic density functional calculations.
Tuning the reactivity of Ru nanoparticles by defect engineering of the reduced graphene oxide support
Authors: Liu Xin , Sui Yanhui , Meng Changgong , Han Yu
Published: May 2014

The local defect structures on rGO determine the stability, the electronic structure and the reactivity of the Ru/rGO composites.
Carbon dioxide ion dissociations after inner shell excitation and ionization: The origin of site-specific effects
Authors: Eland J. H. D. , Zagorodskikh S. , Squibb R. J. , Mucke M. , Sorensen S. L. , Feifel R.
Published: May 2014

Multi-coincidence experiments with detection of both electrons and ions from decay of core-excited and core-ionized states of CO2 confirm that O2+ is formed specifically in Auger decay from the C1s-π* and O1s-π* resonances. Molecular rearrangement occurs by bending in the resonant states, and O2+ is produced by both single and double Auger decay. It is suggested that electron capture by C+ after partial dissociation in the doubly ionized core of excited CO2+, formed by shake-up in spectator resonant Auger decay, accounts for high kinetic energy and high internal energy in some C + O2+ fragments.
Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method
Authors: Krishtal A. , Van Alsenoy C. , Geerlings P.
Published: May 2014

We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping function for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.
An unconstrained Lagrangian formulation and conservation laws for the Schrödinger map system
Authors: Smith Paul
Published: May 2014

We consider energy-critical Schrödinger maps from \documentclass[12pt]{minimal}\begin{document}$\mathbb {R}^2$\end{document}R2 into \documentclass[12pt]{minimal}\begin{document}$\mathbb {S}^2$\end{document}S2 and \documentclass[12pt]{minimal}\begin{document}$\mathbb {H}^2$\end{document}H2. Viewing such maps with respect to orthonormal frames on the pullback bundle provides a gauge field formulation of the evolution. We show that this gauge field system is the set of Euler-Lagrange equations corresponding to an action that includes a Chern-Simons term. We also introduce the stress-energy tensor and derive conservation laws. In conclusion we offer comparisons between Schrödinger maps and the closely related Chern-Simons-Schrödinger system.
New contactless method for thermal diffusivity measurements using modulated photothermal radiometry
Authors: Pham Tu Quoc S. , Cheymol G. , Semerok A.
Published: May 2014

Modulated photothermal radiometry is a non-destructive and contactless technique for the characterization of materials. It has two major advantages: a good signal-to-noise ratio through a synchronous detection and a low dependence on the heating power and the optical properties of the sample surface. This paper presents a new method for characterizing the thermal diffusivity of a material when the phase shift between a modulated laser power signal and the thermal signal of a plate sample is known at different frequencies. The method is based on a three-dimensional analytical model which is used to determine the temperature amplitude and the phase in the laser heating of the plate. A new simple formula was developed through multi-parametric analysis to determine the thermal diffusivity of the plate with knowledge of the frequency at the minimum phase shift, the laser beam radius r0 and the sample thickness L. This method was developed to control the variation of the thermal diffusivity of nuclear components and it was first applied to determine the thermal diffusivity of different metals: 304 L stainless steel, nickel, titanium, tungsten, molybdenum, zinc, and iron. The experimental results were obtained with 5%–10% accuracy and corresponded well with the reference values. The present paper also demonstrates the limit of application of this method for plate with thickness r0/100 ≤ L ≤ r0/2. The technique is deemed interesting for the characterization of barely accessible components that require a contactless measurement.
Pairing preferences of the model mono-valence mono-atomic ions investigated by molecular simulation
Authors: Zhang Qiang , Zhang Ruiting , Zhao Ying , Li HuanHuan , Gao Yi Qin , Zhuang Wei
Published: May 2014

We carried out a series of potential of mean force calculations to study the pairing preferences of a series of model mono-atomic 1:1 ions with evenly varied sizes. The probabilities of forming the contact ion pair (CIP) and the single water separate ion pair (SIP) were presented in the two-dimensional plots with respect to the ion sizes. The pairing preferences reflected in these plots largely agree with the empirical rule of matching ion sizes in the small and big size regions. In the region that the ion sizes are close to the size of the water molecule; however, a significant deviation from this conventional rule is observed. Our further analysis indicated that this deviation originates from the competition between CIP and the water bridging SIP state. The competition is mainly an enthalpy modulated phenomenon in which the existing of the water bridging plays a significant role.
Analysis of nonlinear optical properties in donor–acceptor materials
Authors: Day Paul N. , Pachter Ruth , Nguyen Kiet A.
Published: May 2014

Time-dependent density functional theory has been used to calculate nonlinear optical (NLO) properties, including the first and second hyperpolarizabilities as well as the two-photon absorption cross-section, for the donor-acceptor molecules p-nitroaniline and dimethylamino nitrostilbene, and for respective materials attached to a gold dimer. The CAMB3LYP, B3LYP, PBE0, and PBE exchange-correlation functionals all had fair but variable performance when compared to higher-level theory and to experiment. The CAMB3LYP functional had the best performance on these compounds of the functionals tested. However, our comprehensive analysis has shown that quantitative prediction of hyperpolarizabilities is still a challenge, hampered by inadequate functionals, basis sets, and solvation models, requiring further experimental characterization. Attachment of the Au2S group to molecules already known for their relatively large NLO properties was found to further enhance the response. While our calculations show a modest enhancement for the first hyperpolarizability, the enhancement of the second hyperpolarizability is predicted to be more than an order of magnitude.
Total photoionization cross-sections of excited electronic states by the algebraic diagrammatic construction-Stieltjes-Lanczos method
Authors: Ruberti M. , Yun R. , Gokhberg K. , Kopelke S. , Cederbaum L. S. , Tarantelli F. , Averbukh V.
Published: May 2014

Here, we extend the \documentclass[12pt]{minimal}\begin{document}$\mathcal{L}^{2}$\end{document}L2 ab initio method for molecular photoionization cross-sections introduced in Gokhberg et al. [J. Chem. Phys. 130, 064104 (2009)] and benchmarked in Ruberti et al. [J. Chem. Phys. 139, 144107 (2013)] to the calculation of total photoionization cross-sections of molecules in electronically excited states. The method is based on the ab initio description of molecular electronic states within the many-electron Green's function approach, known as algebraic diagrammatic construction (ADC), and on the application of Stieltjes-Chebyshev moment theory to Lanczos pseudospectra of the ADC electronic Hamiltonian. The intermediate state representation of the dipole operator in the ADC basis is used to compute the transition moments between the excited states of the molecule. We compare the results obtained using different levels of the many-body theory, i.e., ADC(1), ADC(2), and ADC(2)x for the first two excited states of CO, N2, and H2O both at the ground state and the excited state equilibrium or saddle point geometries. We find that the single excitation ADC(1) method is not adequate even at the qualitative level and that the inclusion of double electronic excitations for description of excited state photoionization is essential. Moreover, we show that the use of the extended ADC(2)x method leads to a substantial systematic difference from the strictly second-order ADC(2). Our calculations demonstrate that a theoretical modelling of photoionization of excited states requires an intrinsically double excitation theory with respect to the ground state and cannot be achieved by the standard single excitation methods with the ground state as a reference.