pinecone/core-2020-05-10-deduplication huggingface dataset:
Sequential uncaging with green light can be achieved by fine-tuning the structure of a dicyanocoumarin chromophore

We report the synthesis and photochemical properties of a series of dicyanocoumarinylmethyl (DEAdcCM)- and dicyanocoumarinylethyl (DEAdcCE)-based photocages of carboxylic acids and amines with absorption maximum around 500 nm. Photolysis studies with green light have demonstrated that the structure of the coumarin chromophore as well as the nature of the leaving group and the type of bond to be photocleaved (ester or carbamate) have a strong influence on the rate and efficiency of the uncaging process. These experimental observations were also supported by DFT calculations. Such differences in deprotection kinetics have been exploited to sequentially photolyze two dicyanocoumarin-caged model compounds (e.g. benzoic acid and ethylamine), and open the way to increasing the number of functional levels that can be addressed with light in a single system, particularly when combining dicyanocoumarin caging groups with other photocleavable protecting groups that remain intact under green light irradiation
Homochirality of beta-peptides: a significant biomimetic property of unnatural systems

Homochirality, an interesting phenomenon of life, is mainly an unresolved problem and was thought to be a property of living matter. Herein, we show that artificial beta-peptides have the tendency toward homochiral diastereoselective chain elongation. Chain-length-dependent stereochemical discrimination was investigated in the synthesis of foldamers with various side chains and secondary structures. It was found that there is a strong tendency toward the synthesis of homochiral oligomers. The size of the side chain drastically influenced the selectivity of the stereodiscriminative chain-elongation reaction. It is noteworthy that water as the co-solvent increases the selectivity. Such behavior is a novel fundamental biomimetic property of foldamers with a potential of future industrial application
Glucosomes : glycosylated vesicle-in-vesicle aggregates in water from pH-responsive microbial glycolipid

Vesicle-in-vesicle self-assembled containers, or vesosomes, are promising alternatives to liposomes because of their possible hierarchical encapsulation and high stability. We report herein the first example of sugar-based vesicles-in-vesicles, which we baptize glucosomes. These were prepared by using a natural microbial glycolipid (branched C22 sophorolipid) extracted from the culture medium of the yeast Pseudohyphozyma bogoriensis. Glucosomes spontaneously formed in water between pH6 and pH4 at room temperature, without the requirement of any additive. By means of pH-resolved insitu small angle X-ray scattering, we provided direct evidence for the vesicle-formation mechanism. Statistical treatment of the vesicle radii distribution measured by cryo-tansmission electron microscopy by using a derived form of the Helfrich bending free-energy expression provided an order of magnitude for the effective bending constant (the sum of the curvature and the saddle-splay moduli) of the lipid membrane to K=(0.4 +/- 0.1)k(B)T. This value is in agreement with the bending constant measured for hydrocarbon-based vesicles membranes
Making and operating molecular machines: a multidisciplinary challenge

Movement is one of the central attributes of life, and a key feature in many technological processes. While artificial motion is typically provided by macroscopic engines powered by internal combustion or electrical energy, movement in living organisms is produced by machines and motors of molecular size that typically exploit the energy of chemical fuels at ambient temperature to generate forces and ultimately execute functions. The progress in several areas of chemistry, together with an improved understanding of biomolecular machines, has led to the development of a large variety of wholly synthetic molecular machines. These systems have the potential to bring about radical innovations in several areas of technology and medicine. In this article we discuss, with the help of a few examples, the multidisciplinary aspects of research on artificial molecular machines, and highlight its translational character
Synthesis of Novel Aza‐aromatic Curcuminoids with Improved Biological Activities towards Various Cancer Cell Lines

Abstract Curcumin, a natural compound extracted from the rhizomes of Curcuma longa, displays pronounced anticancer properties but lacks good bioavailability and stability. In a previous study, we initiated structure modification of the curcumin scaffold by imination of the labile β‐diketone moiety to produce novel β‐enaminone derivatives. These compounds showed promising properties for elaborate follow‐up studies. In this work, we focused on another class of nitrogen‐containing curcuminoids with a similar objective: to address the bioavailability and stability issues and to improve the biological activity of curcumin. This paper thus reports on the synthesis of new pyridine‐, indole‐, and pyrrole‐based curcumin analogues (aza‐aromatic curcuminoids) and discusses their water solubility, antioxidant activity, and antiproliferative properties. In addition, multivariate statistics, including hierarchical clustering analysis and principal component analysis, were performed on a broad set of nitrogen‐containing curcuminoids. Compared to their respective mother structures, that is, curcumin and bisdemethoxycurcumin, all compounds, and especially the pyridin‐3‐yl β‐enaminone analogues, showed better water solubility profiles. Interestingly, the pyridine‐, indole‐, and pyrrole‐based curcumin derivatives demonstrated improved biological effects in terms of mitochondrial activity impairment and protein content, in addition to comparable or decreased antioxidant properties. Overall, the biologically active N‐alkyl β‐enaminone aza‐aromatic curcuminoids were shown to offer a desirable balance between good solubility and significant bioactivity
Development and Application of Carbon-Layer-Stabilized, Nitrogen-Doped, Bamboo-Like Carbon Nanotube Catalysts in CO2 Hydrogenation

Nitrogen-doped, bamboo-like carbon nanotubes (BCNTs) were synthesized from butylamine by catalytic chemical vapor deposition (CCVD method). The nanotubes were oxidized by H2SO4/HNO3 treatment and used to prepare calcium alginate gelled BCNT spheres. These beads were first carbonized and then Pd, Rh and Ni nanoparticles were anchored on the surface of the spheres. These systems were then applied as catalysts in CO2 hydrogenation. The BCNT support was examined by Raman spectroscopy, dynamic light scattering (DLS) and X-ray photoelectron spectroscopy (XPS). The prepared catalysts were characterized by HRTEM and SEM. The oxidation pretreatment of BCNTs was successful, with the electrokinetic potential of the water-based dispersion of BCNTs measuring −59.9 mV, meaning the nanotube dispersion is stable. Pyridinic and graphitic types of incorporated nitrogen centers were identified in the structure of the nanotubes, according to the XPS measurements. The Pd-containing BCNT sphere catalyst was the most efficient in the catalytic studies. The highest conversion was reached on the Pd catalyst at 723 K, as well as at 873 K. The difference in the formation rate of CO was much less at 873 K between the Pd and Rh compared to the 723 K values. Accordingly, the application of Pd-containing BCNT/carbon-supported catalyst favored the generation of CO. However, the Ni-BCNT/carbon catalyst leads to the formation of CH4 as the major product
Anthropometric predictors of body fat in a large population of 9-year-old school-aged children

"Objective: To develop and cross-validate predictive models for percentage body fat (%BF) from
anthropometric measurements [including BMI z-score (zBMI) and calf circumference
(CC)] excluding skinfold thickness.Methods:
A descriptive study was carried out in 3,084 pre-pubertal children. Regression models
and neural network were developed with %BF measured by Bioelectrical Impedance
Analysis (BIA) as the dependent variables and age, sex and anthropometric measurements
as independent predictors.Results:
All %BF grade predictive models presented a good global accuracy (≥91.3%) for obesity
discrimination. Both overfat/obese and obese prediction models presented respectively
good sensitivity (78.6% and 71.0%), specificity (98.0% and 99.2%) and reliability for
positive or negative test results (≥82% and ≥96%). For boys, the order of parameters,
by relative weight in the predictive model, was zBMI, height, waist-circumference-toheight-
ratio (WHtR) squared variable (_Q), age, weight, CC_Q and hip circumference
(HC)_Q (adjusted r2 = 0.847 and RMSE = 2.852); for girls it was zBMI, WHtR_Q, height,
age, HC_Q and CC_Q (adjusted r2 = 0.872 and RMSE = 2.171).Conclusion:
%BF can be graded and predicted with relative accuracy from anthropometric measurements
excluding skinfold thickness. Fitness and cross-validation results showed that our
multivariable regression model performed better in this population than did some previously
published models."info:eu-repo/semantics/publishedVersio
Mediating effects of dietary intake on associations of TV viewing, body mass index and metabolic syndrome in adolescents

OBJECTIVE: Evidence suggests that TV viewing is associated with body mass index (BMI) and metabolic syndrome (MetS) in adolescents. However, it is unclear whether dietary intake mediates these relationships. <br /><br />METHODS: A cross-sectional analysis was conducted in adolescents (12-19&thinsp;years) participating in the 2003-2006 United States National Health and Nutrition Examination Survey. BMI z scores (zBMI) (n&thinsp;=&thinsp;3,161) and MetS (n&thinsp;=&thinsp;1,379) were calculated using age- and sex-specific criteria for adolescents. TV viewing (h/day) was measured via a self-reported questionnaire, and dietary intake was assessed using two 24-h recalls. Using the MacKinnon method, a series of mediation analyses were conducted examining five dietary mediators (total energy intake, fruit and vegetable intake, discretionary snacks, sugar-sweetened beverages and diet quality) of the relationships between TV viewing and zBMI and MetS. <br /><br />RESULTS: Small positive relationships were observed between TV viewing and zBMI (&beta;&thinsp;=&thinsp;0.99, p&thinsp;&lt;&thinsp;0.001) and TV viewing and MetS (OR&thinsp;=&thinsp;1.18, p&thinsp;=&thinsp;0.046). No dietary element appeared to mediate the relationship between TV viewing and zBMI. However, sugar-sweetened beverage consumption and fruit and vegetable intake partially mediated the relationship between TV viewing and MetS, explaining 8.7% and 4.1% of the relationship, respectively. <br /><br />CONCLUSIONS: These findings highlight the complexity of the relationships between TV viewing, dietary intake and cardiometabolic health outcomes, and that TV viewing should remain a target for interventions
Leptin, acylcarnitine metabolites and development of adiposity in the Rhea mother-child cohort in Crete, Greece.

OBJECTIVE: This study aims to investigate relations of serum leptin at age 4 with development of adiposity and linear growth during 3???years of follow-up among 75 Greek children and to identify serum metabolites associated with leptin at age 4 and to characterize their associations with adiposity gain and linear growth. METHODS: Linear regression models that accounted for maternal age, education and gestational weight gain and child's age and sex were used to examine associations of leptin and leptin-associated metabolites measured at age 4 with indicators of adiposity and linear growth at age 7. RESULTS: Each 1-unit increment in natural log-(ln)-transformed leptin corresponded with 0.33 (95% CI: 0.10, 0.55) units greater body mass index-for-age z-score gain during follow-up. Likewise, higher levels of the leptin-associated metabolites methylmalonyl-carnitine and glutaconyl-carnitine corresponded with 0.14 (95% CI: 0.01, 0.27) and 0.07 (95% CI: -0.01, 0.16) units higher body mass index-for-age z-score gain, respectively. These relationships did not differ by sex or baseline weight status and were independent of linear growth. CONCLUSIONS: These findings suggest that leptin, methylmalonyl-carnitine and possibly glutaconyl-carnitine are associated with weight gain during early childhood. Future studies are warranted to confirm these findings in other populations
Prevalence of obesity in Malta

Background: Obesity is a global epidemic with the Mediterranean island of Malta being no exception. The World Health Organization (WHO) has identified Malta as one of the European countries with the highest obesity prevalence.\ud
\ud
Method: A cross-sectional study was conducted (2014–2016) under the auspices of the University of Malta. The prevalence of overweight-obesity in Malta was calculated and then age stratified for comparisons with previous studies.\ud
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Results: The study identified 69.75% (95% CI: 68.32–71.18) of the Maltese population to be either overweight or obese. The men overweight/obese prevalence (76.28% 95% CI: 74.41–78.14) was statistically higher than that for women (63.06% 95% CI: 60.92–65.20) (p = 0.0001). Age stratification revealed that both genders had the highest overweight prevalence rates between 55 and 64 years (Men = 23.25% 95% CI: 20.43–26.33; Women = 24.68% 95% CI: 21.44–28.22). Men obesity prevalence rates were highest in the 35 to 44 years group (22.52% 95% CI: 19.65–25.68) while for women it was highest in the 55 to 64 years group (28.90%, 95% CI: 25.44–30.63).\ud
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Conclusion: Over a 35-year period, an overall decrease in the normal and overweight BMI categories occurred with an increase in the prevalence of obesity. An exception was observed in the women, where the prevalence of normal BMI increased over this time period. Also, it appears that while the total population obesity prevalence increased (for 2016), a percentage of the women have shifted from an obese to an overweight status.peer-reviewe
Perceptions of fieldwork education in Malta : challenges and opportunities

Academic upgrading of the occupational therapy programme in\ud
Malta has necessitated exploration of current fieldwork practices through a qualitative\ud
study. Data were collected through one-to-one interviews with 18 recently qualified\ud
occupational therapists. The findings showed the multi-faceted and complex\ud
nature of the fieldwork process, confirming the strong influence and relationships\ud
between the fieldwork context, the fieldwork supervisor and the different values and\ud
attitudes each learner brings to the fieldwork situation. The various practices as\ud
voiced by the participants affected the quality of their fieldwork experiences in different\ud
ways. Awareness of these key influences will pave the way forward for fieldwork\ud
education planners to provide meaningful experiences.peer-reviewe
Evaluating fine motor coordination in children who are not ready for handwriting: which test should we take?

Contains fulltext :
                  155210.pdf (publisher's version ) (Open Access)When children are not ready to write, assessment of fine motor coordination may be indicated. The purpose of this study was to evaluate which fine motor test, the Nine-Hole Peg Test (9-HPT) or the newly developed Timed Test of In-Hand Manipulation (Timed-TIHM), correlates best with handwriting readiness as measured by the Writing Readiness Inventory Tool In Context-Task Performance (WRITIC-TP). From the 119 participating children, 43 were poor performers. Convergent validity of the 9-HPT and Timed-TIHM with WRITIC-TP was determined, and test-retest reliability of the Timed-TIHM was examined in 59 children. The results showed that correlations of the 9-HPT and Timed-TIHM with the WRITIC-TP were similar (rs = -0.40). The 9-HPT and the complex rotation subtask of the Timed-TIHM had a low correlation with the WRITIC-TP in poor performers (rs = -0.30 and -0.32 respectively). Test-retest reliability of the Timed-TIHM was significant (Intraclass Correlation Coefficient = 0.71). Neither of these two fine motor tests is appeared superior. They both relate to different aspects of fine motor performance. One of the limitations of the methodology was unequal numbers of children in subgroups. It is recommended that further research is indicated to evaluate the relation between development of fine motor coordination and handwriting proficiency, on the Timed-TIHM in different age groups. Copyright (c) 2015 John Wiley & Sons, Ltd
Walking to School: Incidental Physical Activity in the Daily Occupations of Australian Children

Children\u27s participation in physical activity is declining, and nowhere is this more apparent than in the incidental activity of walking to school_ The aim of this pilot study was to examine the extent to which Australian children walked to and from primary school, and to survey parents to identify factors influencing this behaviour. Parents of 164 students in Grades I-7 (mean age 9.1 +/- 2.02 years) from a primary school comprising 360 students responded to a questionnaire regarding psychosocial and environmental factors thought to influence the means by which their children went to and from school. Results indicated that parent perception of the importance of physical activity, parents\u27 individual history of transport to school as well as distance from school were the most statistically significant factors determining children\u27s involvement in walking to and from school. The results of this study highlight the attitudes and experiences of parents in determining the extent to which children are involved in non-motorized access to school. Also implicated are organizational policies about geographical school regions. While this study is limited to one school community, further study is recommended with others to better confirm findings by examining socioeconomic, geographic and policy variables. Occupational therapists are challenged to examine ways in which incidental physical activity can be increased in the lives of young children
The Pirate group intervention protocol: description and a case report of a modified constraint-induced movement therapy combined with bimanual training for young children with unilateral spastic cerebral palsy.

Contains fulltext :
                  109742.pdf (publisher's version ) (Open Access)The purpose of this article was to describe a child-friendly modified constraint-induced movement therapy protocol that is combined with goal-directed task-specific bimanual training (mCIMT-BiT). This detailed description elucidates the approach and supports various research reports. This protocol is used in a Pirate play group setting and aims to extend bimanual skills in play and self-care activities for children with cerebral palsy and unilateral spastic paresis of the upper limb. To illustrate the content and course of treatment and its effect, a case report of a two-year-old boy is presented. After the eight-week mCIMT-BiT intervention, the child improved the capacity of his affected arm and hand in both quantitative and qualitative terms and his bimanual performance in daily life as assessed by the Assisting Hand Assessment, ABILHAND-Kids, Video Observations Aarts and Aarts Module Determine Developmental Disregard, Canadian Occupational Performance Measure and Goal Attainment Scaling. It is argued that improvement of affected upper-limb capacity in a test situation may be achieved and retained relatively easily, but it may take a lot more training to stabilize the results and automate motor control of the upper limb. Future studies with groups of children should elaborate on these intensity and generalization issues.1 juni 201
A survey of evidence-based practise among Dutch occupational therapists

Contains fulltext :
                  108048.pdf (publisher's version ) (Open Access)This study explored how the evidenced-based practise (EBP) is perceived by Dutch occupational therapists (OTs), what sources of research data are used to make clinical decisions, and what barriers are identified in implementing EBP. A self-administered, pre-tested, questionnaire was distributed through an email survey and postal mail among the 200 randomly stratified selected OTs out of a total population of 2,019 Dutch OTs. Analyses of data comprised descriptive statistics of all variables and test statistics to evaluate the differences between demographical groups. Dutch OTs have a very positive attitude toward the EBP. Barriers experienced are mostly related to a lack of skills needed to implement the EBP and to the characteristics of the work environment. The attitude, experiences and barriers are mainly similar to research findings in other countries or professions. A unique barrier to the implementation of the EBP found in this study was that Dutch OTs perceived evidence written in a foreign (non-Dutch) language as a barrier to using evidence in non-Dutch languages. The results of the study, derived from a partly representative group of working OTs, implicate universal problems regarding the effective implementation of the EBP. Solutions to increase the implementation of the EBP from an international point of view are called for and need to be evaluated
Alcohol brands on Facebook: the challenges of regulating brands on social media

In September 2012, the Australian Advertising Standards Bureau (ASB) made \u27landmark decisions\u27 relating to the use of Facebook by vodka brand Smirnoff and beer brand Victoria Bitter. The ASB determined that (i) a brand\u27s Facebook page is a marketing communication tool, and (ii) all contents on the page fall under the industry\u27s self-regulatory code of ethics, including consumer-created content such as user-generated comments and photos. The decisions come in response to a submission that the authors made regarding the Facebook pages of the two brands. These submissions were based on a research project that had monitored the use of Facebook by several Australian alcohol brands since the late 2010 to identify how these brands use social media as experiential social spaces to engage consumers in the co-creation of content. This article reviews the ruling by analysing the advertisers\u27 response to the complaint, the regulators\u27 justifications for the decisions, and the possibilities and limitations of regulating social media in general. It argues that although the ASB has acknowledged that brands are responsible for all contents on their Facebook pages, the regulators\u27 approach is of limited effectiveness given the way Facebook allows brands to embed themselves in the mediation of everyday life
Internal audit public sector capability : a case study

Internal auditing is an essential part of governance and can be a valuable asset to public sector institutions. However,
for public sector internal auditing to effectively support management, the internal audit function (IAF) should be
capable. The question arises as to how the capability of public sector IAFs can be measured. The Institute of Internal
Auditors Research Foundation published the Internal Audit Capability Model (IA-CM) in 2009 to provide a capability
self-assessment tool for public sector IAFs. The main objective of the study is to determine whether the IA-CM can be
used successfully to measure internal audit capability levels, and a secondary objective is to determine whether the
tool can be successfully adapted for a specific public sector organisation and/or country. To achieve these objectives,
the model was applied in a South African public sector organisation by means of a case study, where the IAF of the
case was ranked against the key process areas (KPAs) of the model. The ranking was conducted based on a documentary
review and interviews with applicable officials within the case. The model was successfully tested in measuring
the internal audit capability level of a South African public sector organisation; however, a total of eight potential
feasibility hindrances or considerations have been identified that could negatively affect the implementation of seven
of the KPAs of the IA-CM.http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1479-18542017-05-30hb201