bluuebunny/crossref_metadata_2025 huggingface dataset:
In vivo estimation of gamma‐aminobutyric acid levels in the neonatal brain
Authors: Tomiyasu Moyoko , Aida Noriko , Shibasaki Jun , Umeda Masahiro , Murata Katsutoshi , Heberlein Keith , Brown Mark A. , Shimizu Eiji , Tsuji Hiroshi , Obata Takayuki
Published: November 2016

Gamma‐aminobutyric acid (GABA) is the major inhibitory neurotransmitter in the brain, and plays a key role in brain development. However, the in vivo levels of brain GABA in early life are unknown. Using edited MRS, in vivo GABA can be detected as GABA+ signal with contamination of macromolecule signals. GABA+ is evaluated as the peak ratio of GABA+/reference compound, for which creatine (Cr) or water is typically used. However, the concentrations and T1 and T2 relaxation times of these references change during development. Thus, the peak ratio comparison between neonates and children may be inaccurate. The aim of this study was to measure in vivo neonatal brain GABA+ levels, and to investigate the dependency of GABA levels on brain region and age. The basal ganglia and cerebellum of 38 neonates and 12 children were measured using GABA‐edited MRS. Two different approaches were used to obtain GABA+ levels: (i) multiplying the GABA/water ratio by the water concentration; and (ii) multiplying the GABA+/Cr by the Cr concentration. Neonates exhibited significantly lower GABA+ levels compared with children in both regions, regardless of the approach employed, consistent with previous ex vivo data. A similar finding of lower GABA+/water and GABA+/Cr in neonates compared with children was observed, except for GABA+/Cr in the cerebellum. This contrasting finding resulted from significantly lower Cr concentrations in the neonate cerebellum, which were approximately 52% of those of children. In conclusion, care should be taken to consider Cr concentrations when comparing GABA+/Cr levels between different‐aged subjects.
Survivable green traffic engineering with shared protection
Authors: Addis Bernardetta , Carello Giuliana , Mattia Sara
Published: November 2016

This article focuses on the problem of minimizing the energy consumption in a resilient telecommunications network. For each demand, an edge‐disjoint pair of paths (primary and backup) must be provided and the shared protection scheme is used. The energy consumption is due only to edges used in the no‐fault scenario, but both primary and backup paths contribute to capacity consumption. We propose a projected formulation for the problem and show its effectiveness by comparing it with the complete formulation. We propose valid inequalities for both formulations. We evaluate the performances of the proposed formulations and valid inequalities through computational tests. Furthermore, we investigate the relationship between the shared and the dedicated protection version of the problem. © 2016 Wiley Periodicals, Inc. NETWORKS, Vol. 69(1), 6–22 2017
Reducing Stroke Risk Among Young Adult African Americans: A Feasibility Study
Authors: Aycock Dawn M. , Clark Patricia C. , Hayat Matthew J.
Published: November 2016

African Americans are disproportionately affected by stroke and its modifiable risk factors, and strategies are needed to help African Americans adopt healthy lifestyles early in life. The purpose of this study was to assess the feasibility of the Stroke Counseling for Risk Reduction (SCORRE) intervention, a tailored, theory‐based intervention consisting of a motivational video of young African American stroke survivors, the American Heart Association's Life's Simple 7® (LS7) risk assessment and education tool, and a 6‐week behavioral risk reduction diary. Feasibility and changes in theoretical variables were evaluated over 6 weeks. In four months, 30 participants were enrolled and randomized and 29 (97%) completed the study. Participants averaged 23 years old, most were female university students, and they had an average of 2.1 out of 7 risk factors for stroke. Only 7% had missing items on questionnaires, and 17% had missing daily diary entries. Although statistical significance of differences was not assessed, both intervention and control groups had improvements in knowledge scores following the initial session, and larger improvements in accuracy of perceived stroke risk and in health behaviors (physical activity and diet quality) were observed among participants receiving SCORRE. An exit survey indicated the majority of participants receiving SCORRE were motivated to achieve better health; enjoyed the video, LS7 and diary; and felt the program length was appropriate. Results suggest that SCORRE is feasible and acceptable, and with additional refinement and further testing has potential for reducing stroke risk among African Americans. © 2016 Wiley Periodicals, Inc.
Serum levels of endocannabinoids are independently associated with nonalcoholic fatty liver disease
Authors: Zelber‐Sagi Shira , Azar Shahar , Nemirovski Alina , Webb Muriel , Halpern Zamir , Shibolet Oren , Tam Joseph
Published: November 2016

Objective

To evaluate the association between circulating levels of endocannabinoids (eCBs) and non‐alcoholic fatty liver disease (NAFLD).

Methods

The serum levels of the main eCBs, anandamide (AEA) and 2‐arachidonoylglycerol (2‐AG), and their endogenous precursor and breakdown product, arachidonic acid (AA), were analyzed by liquid chromatography/tandem mass spectrometry in 105 volunteers screened for NAFLD. Hepatic ultrasound, fasting blood tests, and anthropometrics were assessed. Liver fat was quantified by the hepato‐renal‐ultrasound index representing the ratio between the brightness level of the liver and the kidney.

Results

Patients with NAFLD had higher levels (pmol/mL) of AA (2,721 ± 1,112 vs. 2,248 ± 977, P = 0.022) and 2‐AG (46.5 ± 25.8 vs. 33.5 ± 13.6, P = 0.003), but not AEA. The trend for higher levels of AA and 2‐AG in the presence of NAFLD was observed in both genders and within subgroups of overweight and obesity. The association of AA and 2‐AG with NAFLD was maintained with adjustment for age, gender, and BMI (OR = 1.001, 1.000–1.001 95% CI, P = 0.008 and OR = 1.05, 1.01–1.09, P = 0.006, respectively) or waist circumference.

Conclusions

This study is the first to show high circulating levels of 2‐AG and AA in NAFLD patients compared with controls, independent of obesity. The findings may suggest an independent role of eCBs in the pathogenesis of NAFLD.
Associations between weight‐related teasing and psychosomatic symptoms by weight status among school‐aged youth
Authors: Warkentin T. , Borghese M. M. , Janssen I.
Published: November 2016

Objective

Weight‐related teasing (WT) is associated with poor mental health. This study examined whether weight status moderates the relationship between WT and psychosomatic symptoms within a representative sample of school‐aged youth.

Methods

Data are from the Canadian 2013/2014 Health Behaviour in School‐aged Children Survey, a nationally representative sample of youth in Grades 6–10. WT, psychosomatic symptoms and body mass index (BMI) were self‐reported.

Results

The final sample consisted of 20,277 youth (mean age = 14.2 years; 50.2% female). The prevalence who reported being WT at least once a week was 4.6%, 8.1% and 17.3% among youth with normal weight, overweight, and obesity, respectively (p < 0.001). There was a gradient relationship between the frequency of WT and psychosomatic symptoms (p < 0.001). By comparison to youth that were not WT, psychosomatic symptom z‐scores were significantly (p < 0.05) higher in youth that were WT one to two times in the past few months (0.47, 95% CI: 0.41–0.53), two to three times per month (0.65, 0.52–0.77), about once a week (0.82, 0.71–0.93) and several times a week (0.98, 0.84–1.12). However, the WT * BMI category interaction term was not significant (p = 0.86).

Conclusions

Victims of WT experienced more psychosomatic symptoms independent of BMI category; however, BMI category did not moderate the association between WT and psychosomatic symptoms.
Integration of ruxolitinib into dose‐intensified therapy targeted against a novel JAK2 F694L mutation in B‐precursor acute lymphoblastic leukemia
Authors: Mayfield Jodi R. , Czuchlewski David R. , Gale James M. , Matlawska‐Wasowska Ksenia , Vasef Mohammad A. , Nickl Christian , Pickett Gavin , Ness Scott A. , Winter Stuart S.
Published: November 2016

A 17‐year‐old girl with B‐cell precursor acute lymphoblastic leukemia (BCP‐ALL) with persistent minimal residual disease (MRD) who underwent standard chemotherapy was found to have a BCR‐ABL1‐like gene expression pattern. Genome sequencing revealed a JAK2 mutation not previously described in BCP‐ALL and a potential therapeutic target. Due to concern for an on‐therapy relapse, the JAK2 inhibitor ruxolitinib was incorporated into a modified chemotherapy backbone to achieve complete remission prior to stem cell transplant. Treatment was well tolerated and she had undetectable MRD prior to a matched allogeneic stem cell transplant and remained in remission at day +100.
Parent reported sleep problems in preschool children with sickle cell anemia and controls in East London
Authors: Downes Michelle , de Haan Michelle , Kirkham Fenella J. , Telfer Paul T.
Published: November 2016

Snoring and poor sleep may affect cognition, particularly in young children with chronic conditions. Parents of London preschoolers with sickle cell anemia (SCA; n = 22), matched controls (n = 24), and unselected typically developing (n = 142) preschoolers completed sleep questionnaires. Preschoolers with SCA had significantly more sleep problems when compared to matched controls and the larger population. Snoring occurred at least one to two nights a week for 79% of the SCA group. This is compared with 25% of matched controls and 33% of larger population. Randomized controlled trials to improve sleep in young children with SCA already at‐risk for cognitive dysfunction should be considered.
Maintenance therapy with everolimus for subependymal giant cell astrocytoma in patients with tuberous sclerosis (the EMINENTS study)
Authors: Trelinska Joanna , Dachowska Iwona , Baranska Dobromila , Stawiski Konrad , Kotulska Katarzyna , Fendler Wojciech , Jozwiak Sergiusz , Mlynarski Wojciech
Published: November 2016

Objective

One of the therapeutic options for patients with tuberous sclerosis (TCS) and subependymal giant cell astrocytoma (SEGA) is everolimus treatment once daily, every day, to attain trough concentrations of 5–15 ng/ml (standard treatment). The aim of this study was to evaluate the efficacy and safety of a reduced dose of everolimus (three times a week with a daily dose as in standard treatment—maintenance therapy) in a group of patients who were previously treated with standard dose for at least 12 months.

Materials and Methods

Ten patients (six males, four females; median age 14.23 years) with TSC‐related SEGA who met inclusion criteria were included into a single‐arm, prospective trial. All the patients were followed over at least 12 months (median 12 and range 12–24 months). Tumor volumes from day 0, 90, 180, and 360 were evaluated by an experienced radiologist and an objective computer‐based method and compared. Adverse events (AEs) noted during maintenance therapy were compared to the AEs observed during standard everolimus therapy.

Results

The differences in SEGA volume between subsequent time points (day 0, 90, 120, and 360) were not statistically significant. No clinical symptoms of tumor regrowth were observed. AEs were significantly less severe and less frequent during maintenance compared with standard therapy.

Conclusions

Maintenance therapy with reduced‐dose everolimus is an effective therapeutic option for patients with TSC and SEGA after the completion of standard therapy and may moderate the rates of adverse effects.
Non‐isothermal crystallization kinetics and dynamic mechanical properties of poly(Butylene succinate) nanocomposites with different type of carbonaceous nanoparticles
Authors: Filizgok S. , Kodal M. , Ozkoc G.
Published: November 2016

In this article, the influence of type of carbon‐based nanofillers such as carbon nanotubes (CNT), carbon‐black (CB), and fullerene (F), on the non‐isothermal crystallization kinetics of poly(butylene succinate) (PBS) was investigated. The particle geometry of the nanofillers was focused. The filler content was 0.5% and 1.0% by weight. The nanocomposites were processed in a laboratory twin screw compounder. The spherulitic morphology and crystal‐growth were observed with a hot stage polarized optical microscopy. The structure of nanocomposites in the nanometer scale was characterized using transmission electron microscopy (TEM). The influence of nanofillers on the mechanical properties of PBS nanocomposites was measured by using dynamical mechanical analysis (DMA). The investigation of non‐isothermal crystallization kinetics was performed by using differential scanning calorimetry (DSC) at four different cooling rates (5, 15, 25, and 50°C/min). Analysis of melt crystallization data obtained was performed at a wide range of cooling rates with Avrami, Ozawa, and the combined Avrami–Ozawa models. The combined Avrami–Ozawa method could adequately describe the primary stage of non‐isothermal crystallization of the neat PBS and PBS nanocomposites. It was shown that nanocomposites including CNT particles represented the highest nucleation ability in comparison to fullerene and carbon‐black. Conversely, despite the fact that CNT exhibited a dominant heterogeneous nucleating efficiency, its performance in crystallization rate was contradicted. This interesting phenomenon indicated that the impeding effect of CNT particles during crystallization was stronger than its nucleation efficiency. The order of nucleation activity of each nanofiller from the lowest to the highest was as CNT > F > CB. POLYM. COMPOS., 39:2705–2721, 2018. © 2016 Society of Plastics Engineers
How do mothers with borderline personality disorder mentalize when interacting with their infants?
Authors: Marcoux Andrée‐Anne , Bernier Annie , Séguin Jean R. , Boike Armerding Jennifer , Lyons‐Ruth Karlen
Published: November 2016

Mothers with borderline personality disorder (BPD) have been theorized to have decreased mentalization ability, which is the capacity to perceive and interpret mental states. This could increase the risk for troubled relationships with their infants and therefore have adverse consequences for child social and emotional development. Mind‐mindedness (MM), which codes the mother's references to her infant's mental states during an interaction, is one method of indexing mothers' mentalizing ability. However, research has yet to examine MM in mothers with BPD. Our objective was to assess the MM ability of 38 mothers during interactions with their 12‐month‐old infants, including 10 mothers with BPD and 28 mothers without a psychiatric diagnosis. Trained observers assessed maternal MM from 2 min of videotaped mother–infant free play. BPD was assessed with the Structured Clinical Interview for DSM‐III‐R‐Personality Disorders (SCID‐II). Mothers with and without BPD did not differ in the proportion of total comments referring to infant mental states. However, mothers in the BPD group proportionately made 3.6 times more misattuned mind‐related comments than control mothers. Thus, mothers with and without BPD appear equally likely to envision mental states in their infants. However, mothers with BPD also appear more likely to misread their infants' mental states. Copyright © 2016 John Wiley & Sons, Ltd.
Standardization of sample homogenization for mosquito identification using an innovative proteomic tool based on protein profiling
Authors: Nebbak Amira , Willcox Alexandra C. , Bitam Idir , Raoult Didier , Parola Philippe , Almeras Lionel
Published: November 2016

The rapid spread of vector‐borne diseases demands the development of an innovative strategy for arthropod monitoring. The emergence of MALDI‐TOF MS as a rapid, low‐cost, and accurate tool for arthropod identification is revolutionizing medical entomology. However, as MS spectra from an arthropod can vary according to the body part selected, the sample homogenization method used and the mode and duration of sample storage, standardization of protocols is indispensable prior to the creation and sharing of an MS reference spectra database. In the present study, manual grinding of Anopheles gambiae Giles and Aedes albopictus mosquitoes at the adult and larval (L3) developmental stages was compared to automated homogenization. Settings for each homogenizer were optimized, and glass powder was found to be the best sample disruptor based on its ability to create reproducible and intense MS spectra. In addition, the suitability of common arthropod storage conditions for further MALDI‐TOF MS analysis was kinetically evaluated. The conditions that best preserved samples for accurate species identification by MALDI‐TOF MS were freezing at –20°C or in liquid nitrogen for up to 6 months. The optimized conditions were objectified based on the reproducibility and stability of species‐specific MS profiles. The automation and standardization of mosquito sample preparation methods for MALDI‐TOF MS analyses will popularize the use of this innovative tool for the rapid identification of arthropods with medical interest.
Active surveillance for favorable‐risk prostate cancer: Is there a greater psychological impact than previously thought? A systematic, mixed studies literature review
Authors: Ruane‐McAteer Eimear , Porter Sam , O'Sullivan Joe M. , Santin Olinda , Prue Gillian
Published: November 2016

Objective

Active surveillance (AS) allows men with favorable‐risk prostate cancer to avoid or postpone active treatment and hence spares potential adverse effects for a significant proportion of these patients. Active surveillance may create an additional emotional burden for these patients.

The aim of the review was to determine the psychological impact of AS to inform future study in this area and to provide recommendations for clinical practice.

Methods

Studies were identified through database searching from inception to September 2015. Quantitative or qualitative noninterventional studies published in English that assessed the psychological impact of AS were included. The Mixed Methods Appraisal Tool was used to assess methodological quality.

Results

Twenty‐three papers were included (20 quantitative and 3 qualitative). Quantitatively, the majority of patients do not report psychological difficulties; however, when appropriateness of study design is considered, the conclusion that AS has minimal impact on well‐being may not be accurate. This is due to small sample sizes, inappropriately timed baseline, and inappropriate/lack of comparison groups. In addition, a mismatch in outcome was noted between the outcome of quantitative and qualitative studies in uncertainty, with qualitative studies indicating a greater psychological impact.

Conclusions

Because of methodological concerns, many quantitative studies may not provide a true account of the burden of AS. Further mixed‐methods studies are necessary to address the limitations highlighted and to provide clarity on the impact of AS. Practitioners should be aware that despite findings of previous reviews, patients may require additional emotional support.
Communication about melanoma and risk reduction after melanoma diagnosis
Authors: Rodríguez Vivian M. , Berwick Marianne , Hay Jennifer L.
Published: November 2016

Background

Melanoma patients are advised to perform regular risk‐reduction practices, including sun protection as well as skin self‐examinations (SSEs) and physician‐led examinations. Melanoma‐specific communication regarding family risk and screening may promote such behaviors. To this end, associations between patients' melanoma‐specific communication and risk reduction were examined.

Methods

Melanoma patients (N = 169) drawn from a population‐based cancer registry reported their current risk‐reduction practices, perceived risk of future melanoma, and communication with physicians and relatives about melanoma risk and screening.

Results

Patients were, on average, 56 years old and 6.7 years' post diagnosis; 51% were male, 93% reported “fair/very fair” skin color, 75% completed at least some college, and 22% reported a family history of melanoma. Patients reported varying levels of regular (always/nearly always) sun protection: sunscreen use (79%), shade seeking (60%), hat use (54%), and long‐sleeve shirt use (30%). Only 28% performed thorough SSE regularly, whereas 92% reported undergoing physician‐led skin examinations within the past year. Participants who were female, younger, and had a higher perceived risk of future melanoma were more likely to report past communication. In adjusted analyses, communication remained uniquely associated with increased sunscreen use and SSE.

Conclusions

Encouraging melanoma patients to have a more active role in discussions concerning melanoma risk and screening with relatives and physicians alike may be a useful strategy to promote 2 key risk‐reduction practices post melanoma diagnosis and treatment. Future research is needed to identify additional strategies to improve comprehensive risk reduction in long‐term melanoma patients.
Sexual distress and associated factors among cervical cancer survivors: A cross‐sectional multicenter observational study
Authors: Bakker R.M. , Kenter G.G. , Creutzberg C.L. , Stiggelbout A.M. , Derks M. , Mingelen W. , Kroon C.D. , Vermeer W.M. , ter Kuile M.M.
Published: November 2016

Background

To assess whether sexual distress among cervical cancer (CC) survivors is associated with frequently reported vaginal sexual symptoms, other proposed biopsychosocial factors and whether worries about painful intercourse mediate the relation between vaginal sexual symptoms and sexual distress.

Methods

A cross‐sectional study was conducted among 194 sexually active partnered CC survivors aged 25 to 69 years. Sexual distress, vaginal sexual symptoms, sexual pain worry, anxiety, depression, body image concerns, and relationship dissatisfaction and the sociodemographic variables age, time since treatment, and relationship duration were assessed by using validated self‐administrated questionnaires.

Results

In total, 33% (n = 64) of the survivors scored above the cut‐off score for sexual distress. Higher levels of sexual distress were shown to be associated with higher levels of vaginal sexual symptoms, sexual pain worry, relationship dissatisfaction, and body image concerns. Furthermore, the results showed that sexual pain worry partly mediated the association between vaginal sexual symptoms and sexual distress, when controlling for relationship dissatisfaction and body image concerns.

Conclusions

Appropriate rehabilitation programs should be developed for CC survivors to prevent and reduce not only vaginal sexual symptoms but also sexual pain worry, relationship dissatisfaction, and body image concerns to reduce sexual distress.
Cyclopropylamine plasma polymers for increased cell adhesion and growth
Authors: Manakhov Anton , Landová Marie , Medalová Jiřina , Michlíček Miroslav , Polčák Josef , Nečas David , Zajíčková Lenka
Published: November 2016

Plasma polymers with NHx groups were deposited from cyclopropylamine in low pressure radio frequency (RF) discharges. The amount of NHx decreased with increasing average power Pav, whereas the layer dissolution in water decreased and high Pav led to a slight film swelling. The C2C12 cells demonstrated very high adhesion to the layers regardless of the deposition conditions. Although the surface chemistry of amine‐rich layers should enhance the cell proliferation, the WST‐1 assay, and immunocytochemistry revealed lower cell proliferation and viability on the layers exhibiting above 18% of relative thickness loss in water. Promising results were obtained on the layers with better water stability and bearing 7–10% of NHx.
Improved Efficiency by Adding 5‐Aminotetrazole to Anthraquinone‐Free New Blue and Green Colored Pyrotechnical Smoke Formulations
Authors: Glück Johann , Klapötke Thomas M. , Rusan Magdalena , Shaw Anthony P.
Published: November 2016

Pyrotechnical smoke formulations are predominantly used in the military sector for obscuring or signaling purposes. For decades, the performance was the only point of interest and no toxicity issues have been considered. Although fuels like sulfur have already been replaced in colored smoke formulations, the main ingredient still remains the dye. In the past few years certain highly toxic anthraquinone dyes, e.g. benzanthrone and vat yellow 4 have successfully been replaced by Solvent Yellow 33 (SY33). Additionally, colored smoke formulations suffer from a low efficiency and there is no published information about the yield like the amount of produced aerosol of in‐use formulations. To face this issue, we designed several new blue and green smoke formulations containing 5‐aminotetrazole (5‐AT) as additional gas generator to increase the efficiency. Maintaining the environmental risks in an acceptable range, we applied copper(II) phthalocyanine (CuPc) for blue and a mixture of CuPc/SY33 for green formulations. A self‐developed aerosol collecting setup was used to investigate the formulations.
Weighing biointeractions between fibrin(ogen) and clot‐binding peptides using microcantilever sensors
Authors: Puiggalí‐Jou Anna , del Valle Luis J. , Alemán Carlos , Pérez‐Madrigal Maria M.
Published: November 2016

Peptides homing tumor vasculature are considered promising molecular imaging agents for cancer detection at an early stage. In addition to their high binding affinity, improved tissue penetrating ability, and low immunogenicity, they can deliver targeted anticancer drugs, thus expanding therapeutic treatments. Among those, CREKA, a linear peptide that specifically binds to clotted‐plasma proteins in tumor vessels, has been recently employed to design bioactive systems able to target different cancer types. Within this context, this paper explores the biorecognition event between CR(NMe)EKA, an engineered CREKA‐analog bearing a noncoded amino acid (N‐methyl‐Glu) that is responsible for its enhanced activity, and clotted‐plasma proteins (fibrin and fibrinogen) by nanomechanical detection. Specifically, the tumor‐homing peptide was covalently attached via epoxysilane chemistry onto silicon microcantilever chips that acted as sensors during dynamic mode experiments. Before that, each step of the functionalization process was followed by contact angle measurements, interferometry, X‐ray photoelectron spectroscopy, and atomic force microscopy, thus revealing the applied protocol as a suitable strategy. The fibrin(ogen)‐binding induced by CR(NMe)EKA was detected by the resonance frequency shift of the cantilevers, and a detection limit of 100 ng/mL was achieved for both proteins. Even though further development is required, this work reflects the promising application of emerging technologies capable of assisting in the comprehension of biological interactions and their implications in the biotechnological field. Copyright © 2016 European Peptide Society and John Wiley & Sons, Ltd.
Integrating Clinical Phenotype and Gene Expression Data to Prioritize Novel Drug Uses
Authors: Paik H , Chen B , Sirota M , Hadley D , Butte AJ
Published: November 2016

Drug repositioning has been based largely on genomic signatures of drugs and diseases. One challenge in these efforts lies in connecting the molecular signatures of drugs into clinical responses, including therapeutic and side effects, to the repurpose of drugs. We addressed this challenge by evaluating drug‐drug relationships using a phenotypic and molecular‐based approach that integrates therapeutic indications, side effects, and gene expression profiles induced by each drug. Using cosine similarity, relationships between 445 drugs were evaluated based on high‐dimensional spaces consisting of phenotypic terms of drugs and genomic signatures, respectively. One hundred fifty‐one of 445 drugs comprising 450 drug pairs displayed significant similarities in both phenotypic and genomic signatures (P value < 0.05). We also found that similar gene expressions of drugs do indeed yield similar clinical phenotypes. We generated similarity matrixes of drugs using the expression profiles they induce in a cell line and phenotypic effects.
Fabrication of MoS2 thin films on oxide‐dielectric‐covered substrates by chemical solution process
Authors: Kim Joonam , Higashimine Koichi , Haga Ken‐ichi , Tokumitsu Eisuke
Published: November 2016

The chemical solution process of MoS2 on high‐k oxide films has been systematically investigated. The source solution used in this work is made of (NH4)2MoS4 powder dissolved in N‐methyl‐2‐pyrrolidone. We have spin‐coated the solution on various kinds of dielectric oxide films and shown that the coating properties strongly depend on the kind of dielectric, which can be understood by surface energy analysis, following this, the growth of high quality of MoS2 film is confirmed by Raman scattering spectroscopy and X‐ray diffraction. It is demonstrated that the MoS2 film can be grown on Nb doped ZrO2 using a solution with a two‐step annealing process, where the first annealing is performed at 450 °C in H2/Ar (5:95) atmosphere for 20 min and the second annealing at 1000 °C in Ar atmosphere with S vapor for 20 min. In addition, conformal growth of a MoS2 layered structure on the curved surface of the oxide film is confirmed by transmission electron microscope observations. A further conclusion is that the thickness of MoS2 can be controlled by the concentration of a source solution and that two‐layer MoS2 is obtained when the concentration of source solution is 0.00625 mol kg−1. The measured Hall mobility of the solution‐derived MoS2 film, annealed at 1000 °C is approximately 25 cm2 V−1s−1.
A methodology for simultaneous retrieval of ice and liquid water cloud properties. Part 2: Near‐global retrievals and evaluation against A‐Train products
Authors: Sourdeval Odran , C.‐Labonnote Laurent , Baran Anthony J. , Mülmenstädt Johannes , Brogniez Gérard
Published: November 2016

This article presents results of a novel methodology capable of simultaneously retrieving optical and microphysical properties of multi‐level ice and liquid clouds. The method was introduced in Part I, which theoretically demonstrated its capabilities, and its results are here analysed and evaluated against A‐Train operational products. In addition to being robust to multi‐layer conditions, another advantage of the method is that rigorous uncertainties and analysis tools are attached to its retrievals. Also, the combined use of short‐wave and thermal infrared channels provides a wide range of sensitivity from moderately thin to thick ice cloud layers. Finally, the method is also novel in that the ice water path (IWP) is directly retrieved. These new retrievals should therefore be useful in providing new data for evaluating climate model predictions of IWP. In this study, our methodology has been applied to one year of A‐Train measurements, narrowed to daytime conditions over oceanic surfaces. The retrievals and their uncertainties are statistically analysed, after a thorough discussion of the filtering process. It appears that our method is sensitive to IWPs ranging between about 0.5 and 1000 g m−2, with uncertainties better than 25% between 5 and 500 g m−2. Retrievals of the optical depth and effective radius of liquid layers have uncertainties better than 20%. Our retrievals are then compared to five independent operational A‐Train products. Very good agreements, well within a factor of 2, are found by comparisons to products from active and passive instruments. These results overall lead to the validation of our method. Additionally, the robustness of passive operational products to multi‐layer conditions is discussed. Preliminary comparisons show a possible overestimation of retrievals obtained under the single‐layer approximation. A thorough assessment of this problem will be addressed in a following study.
Initiation of deep convection in the Sahel in a convection‐permitting climate simulation for northern Africa
Authors: Maurer V. , Bischoff‐Gauß I. , Kalthoff N. , Gantner L. , Roca R. , Panitz H.‐J.
Published: November 2016

A convection‐permitting climate simulation was performed for Northern Africa for the year of 2006 and a domain of 2561 × 1721 × 50 grid points. The general performance of the simulation was evaluated for the Sahel region for July and August, where the land‐surface–atmosphere feedback has a strong influence on convection initiation. The simulation showed reasonable skill.

A tracking algorithm was applied to identify the initiation locations of mesoscale convective systems (MCSs). The aim of the investigation was to distinguish the different processes of MCS initiation during the afternoon and particularly to assess the influence of spatial land‐surface anomalies on convection initiation. On average, for all initiations considered, a clear spatial signal of the ratio of sensible to latent heat flux at the land surface (Bowen ratio), indicative of a land‐surface influence, was not detected. Only when certain initiations were selected using objective as well as subjective criteria did a signal of the land surface become apparent. The largest number of afternoon initiations in the Sahel could be attributed to convergence caused by gust fronts of approaching systems (35%). Still, almost 16% of the initiations that were identified were preferentially downstream from a region with an elevated Bowen ratio. About 9% were regenerated systems and 19% of the MCSs were not assigned to one of these classes, including systems that formed by the merging of smaller cells developing at multiple locations in a region of large‐scale favourable conditions, e.g., due to large‐scale convergence.

The results confirm the importance of local convection initiation downstream of spatial land‐surface anomalies in the Sahel. They also highlight the mechanism of convection initiation by cold pools and related gust fronts.
Spatial and temporal patterns of surface–atmosphere energy exchange in a dense urban environment using scintillometry
Authors: Crawford B. , Grimmond C. S. B. , Ward H. C. , Morrison W. , Kotthaus S.
Published: November 2016

Spatially integrated measurements of the surface energy balance (SEB) are needed in urban areas to evaluate urban climate models and satellite observations. Scintillometers allow observations of sensible heat flux (QH) over much larger areas than techniques such as eddy covariance (EC), however methods are needed to partition between remaining unmeasured SEB terms. This is the first study to use observed spatial and temporal patterns of QH from a scintillometer network to constrain estimates of remaining SEB terms in a dense, heterogeneous urban environment. Results show that QH dominates the surface energy balance in central London throughout the year, with expected diurnal courses and seasonal trends in QH magnitude related to solar radiation input. Measurements also reveal a clear anthropogenic component of QH with winter (summer) weekday QH values 11.7% (5.1%) higher than weekends. Spatially, QH magnitude is correlated with vegetation and building landcover fraction in the measurement source areas. Spatial analysis provides additional evidence of anthropogenic influence with highest weekday/weekend ratios (1.55) from the City of London. Spatial differences are used to estimate horizontal advection and a novel method to estimate monthly latent heat flux is developed based on observed landcover and wet–dry surface variations in normalized QH. Annual anthropogenic heat emissions are estimated to be 46.3 W m−2 using an energy balance residual approach. The methods presented here have potential to significantly enhance understanding of urban areas, particularly in areas with tall buildings where there are few observational data.
Mineral mediated isotope fractionation of soil water
Authors: Gaj M. , Kaufhold S. , Koeniger P. , Beyer M. , Weiler M. , Himmelsbach T.
Published: November 2016

Rationale

The ability to recover the isotopic signature of water added to soil samples that have previously been oven‐dried decreases with the increasing presence of silt and clay. The effects on the isotopic signature of water associated with physicochemical soil properties are not yet fully understood, for either hydration or dehydration of soil samples.

Methods

The soil sample chemistry and the crystallinity of minerals were measured by X‐ray fluorescence and X‐ray diffraction. The organic carbon and the cation‐exchange capacity were also determined. Water of known isotopic signature was used to spike an oven‐dried substrate and subsequently extracted by cryogenic vacuum extraction at a temperature of 105°C. In addition, the soils were oven‐dried at 205°C and water extractions were also performed at 205°C. The isotopic signatures of the water samples were determined by cavity‐ring‐down spectrometry.

Results

The isotope effects caused by the cryogenic vacuum extraction method applied to soils with elevated clay content were reduced. First, by increasing the extraction temperature to 205°C, we improved the precision of the cryogenic vacuum extraction method and the recovery of the known isotopic signature of the spike water. Secondly, the post‐correction of data based on the physicochemical soil properties and a common extraction temperature of 105°C improved the measurement trueness.

Conclusions

The isotopic signature of soil water is influenced by mineral‐water interaction. During the hydration of clay, different minerals deplete free water in heavy isotopes. The extracted soil water (dehydration water) gathered from clay‐rich soils is generally more depleted in the heavy isotopes than the spike water, making results obtained for different soil types difficult to compare. Isotope effects observed at the mineral‐water interface highlight potential explanations for eco‐hydrological separation of water pools. Copyright © 2016 John Wiley & Sons, Ltd.
Frequency‐domain optimization of fixed‐structure controllers
Authors: van Solingen E. , van Wingerden J.W. , Oomen T.
Published: November 2016

This paper aims to introduce a new approach to optimize the tunable controller parameters of linear parameterizable controllers. The presented approach is frequency‐domain based and can therefore directly be used to tune, among others, proportional integral derivative controllers, low/high‐pass filters, and notch filters, using a Frequency Response Function of the plant. The approach taken in this paper is to extract the tunable controller parameters into a diagonal matrix gain and absorb the remainder of the controller in the plant. Then, the generalized Nyquist stability criterion is exploited so as to impose stability and  performance specifications on the closed‐loop system. It is shown that the approach results in a convex feasibility problem for certain controller cases and can be reformulated such that it can also be used for grey‐box system identification. Simulation and experimental examples demonstrate the efficacy of the approach. © 2016 The Authors. International Journal of Robust and Nonlinear Control published by John Wiley & Sons, Ltd.
Dealing with inaccuracies in the analysis on solvent‐induced swelling of transparent thin films using in situ spectroscopic ellipsometry in the visible wavelength range
Authors: Tempelman Kristianne , Kappert Emiel J. , Raaijmakers Michiel J.T. , Wormeester Herbert , Benes Nieck E.
Published: November 2016

The accuracy of spectroscopic ellipsometry studies of transparent polymer films in the visible wavelength range is greatly reduced in the presence of a liquid ambient. The relatively high refractive index of a liquid ambient strongly amplifies the effects of experimental non‐idealities, such as window birefringence and an unknowingly inaccurate description of the optical properties of the ambient. In particular for thin films (approximately <100 nm), the implications of even small non‐idealities are substantial, and large deviations in the thickness and refractive index are found. The concurrent low root mean square error (MSE) values show that a good MSE does not show that the optical model is correct; it just shows a good agreement between the experimental and fitted data. This implies that quantitative in situ ellipsometry studies for thin films are intricate, and derived properties like sorption behaviour should be treated with caution. Here, we show that quantitative in situ ellipsometry swelling measurements in solvents require a very accurate solvent dispersion relation, a high‐quality temperature control, especially to prevent temperature differences between the cell, its content and exterior ambient, and accurate quantification of window effects, in particular for polymer films with thicknesses of approximately below 100 nm, depending on the optical contrast of the polymer–solvent system. Copyright © 2016 John Wiley & Sons, Ltd.
DFT/TD‐DFT Studies of Metal‐Free N‐Annulated Perylene Based Organic Sensitizers for Dye‐Sensitized Solar Cells: Is Thiophene Spacer Essential for Improving the DSSC Performance?
Authors: Mandal Sudip , Ramanujam Kothandaraman
Published: November 2016

In this study, photo‐physical properties of five N‐annulated perylene (NP) based metal free organic D‐π‐A (donor‐π‐linker‐acceptor) sensitizers for dye‐sensitized solar cells (DSSCs) have been investigated by using density functional theory (DFT/B3LYP/6‐31G (d)). These dyes contain triphenylamine (TPA) derivative linked to the NP, thiophene and 2‐cyanoacetic acid as electron donor, conjugated linker and acceptor. Effect of TPA, substituted TPA and the of linker on the highest occupied molecular orbital, lowest unoccupied molecular orbital and bandgap energy of these compounds have been calculated and compared against experimental values reported. The electronic absorption spectra of these dyes are studied by time‐dependent density functional theory calculations. Based on the calculations, (E)‐2‐cyano‐3‐(10‐(4‐(diphenylamino) phenyl)‐1‐(2‐ethylhexyl)‐1H‐phenanthro [1,10,9,8] carbazol‐3‐yl) acrylic acid (NPS‐4) is identified as best dye for the DSSCs operating with I3−/I− containing electrolyte. Furthermore, chemical hardness and reorganization energy of the dyes have been calculated and analyzed, whose values predicted the electron injection ability of the dyes and hence short‐circuit current density. Although, all five dyes were capable of injecting electron into the conduction band of TiO2, the highest driving force for dye regeneration, the lowest reorganization energy and the highest open‐circuit voltage of the NPS‐4 makes it most suitable for the DSSC application.
Monoamine Oxidase Inhibitory Activity of Novel Pyrazoline Analogues: Curcumin Based Design and Synthesis‐II
Authors: Badavath Vishnu Nayak , Ucar Gulberk , Sinha Barij Nayan , Mondal Susanta Kumar , Jayaprakash Venkatesan
Published: November 2016

In continuation with our earlier work on MAO inhibitory curcumin based pyrazoline analogues, we synthesized a series of pyrazoline derivatives (from vanilylidene acetophenone). The compounds were evaluated for their hMAO inhibitory potential and also for their intestinal permeability and metabolic stability characteristics. Activity profile of the compounds was found to be similar to the earlier reported series. The potent hMAO−A (compound 6; Ki=0.10±0.01 μM, SI=3.08x10−6), hMAO−B (compound 2; Ki=0.55±0.03μM, SI=13.13) and non‐selective (compound 13; Ki=1.36±0.10 μM) inhibitors were found to have better permeability and metabolic stability characteristics in comparison with curcumin. Molecular docking simulation was performed to see any difference in orientation of potent compounds in the current series with the earlier reported one in hMAO active site.
First‐Principles Study on the 1T Phase of GaX (X=S, Se) Monolayers
Authors: Zhou Jia , Zhuang Houlong L.
Published: November 2016

Two‐dimensional (2D) semiconductors gallium monochalcogenides GaX (X=S, Se), normally possessing the 2H structure, attract great research interest due to their potential applications as future electronical and optical devices. In this paper, we for the first time studied the structural properties and electronic structure of another possible phase of the GaX monolayers, namely the 1T phase by means of first‐principles calculations. We found that the 1T phase of the GaX monolayers remain semiconducting with smaller band gaps compared to their 2H counterparts. In addition, we showed that the transition between the 1T and 2H phases for the GaX monolayers is significantly easier than for the MoS2 monolayer. The 1T phase of the GaX monolayers exhibits a slightly higher energy than the 2H phase and the phonon spectrum confirms its dynamical stability; however the relative stability could be straightforwardly switched by introducing mechanical strains or p‐type doping. This work opens up a new route for controlling the phase transition between the 1T and 2H phases of the GaX monolayers and will be benefit for their future applications in optoelectronic devices.
Approachable Way to Synthesize 3D Silica Hollow Nanospheres with Mesoporous Shells via Simple Template‐Assisted Technique
Authors: Abdelaal Haitham Mohammad , Harbrecht Bernd
Published: November 2016

3D porous silica hollow nanospheres (PSHNSs) with mesoporous walls have been successfully fabricated by simple template‐assisted method using tetraethoxysilan (TEOS) as a silica precursor and glucose‐derived functionalized carbon spheres (FCSs) as hard templates. Template‐precursor hybrid composite spheres were formed by direct adsorption of the silica precursor onto the surface layers of the FCSs. After etching of the template via oxidation in air, free standing 3D PSHNSs were obtained. The resulting PSHNSs were ∼ 85 nm in size as indicated by both SEM and TEM images. BET analysis has shown that nanospheres to have a large specific surface area up to 400 m2/g. The fascinating structure of 3D PSHNSs may provide more accessibility and good contacts with reactants that is very important in the fields of catalysts, gas adsorbent, heavy metals removal, electronics, and so on.
Novel Domino Routes for the Synthesis of N‐Heterocycles via Reductive Cyclization of β‐(N‐2‐Nitroaryl)‐α,β‐unsaturated Ketones
Authors: Vodnala Nagaraju , Kaldhi Dhananjaya , Gupta Richa , Linthoinganbi R. K. , Putta V. P. Rama Kishore , Polina Saibabu , Singh Virender , Malakar Chandi C.
Published: November 2016

An efficient and operational simple synthetic method has been developed towards the preparation of important biologically active N‐heterocyclic scaffolds. The present method associated with the use of inexpensive and easy to prepare nitroaromatics as substrates. The key step of the developed protocol rely on the reductive cyclization of nitro‐compounds in presence of Mo(VI) as catalyst and phosphine as deoxygenative agent. It has been shown that depending on the nature of substrates two distinct heterocyclic scaffolds such as 1‐hydroxyphenazines and quinoxalines can be synthesized in high yields. It is envisaged that both 1‐hydroxyphenazines and quinoxalines exhibits potential pharmacological profiles and offers novel landscapes in medicinal chemistry, and drug discovery research. Considering the limited number of methods available in literature for the preparation of 1‐hydroxyphenazines, the present method serves an efficient and economical alternative towards this scaffold.