bluuebunny/crossref_metadata_2025_split huggingface dataset:
Method for Systematic Assessment of Chemical Changes in Molecular Scaffolds with Conserved Topology and Application to the Analysis of Scaffold‐Activity Relationships
Authors: Hu Ye , Zhang Bijun , Bajorath Jürgen 
Published: June 2015

AbstractSets of scaffolds with conserved molecular topology are abundant among drugs and bioactive compounds. Core structure topology is one of the determinants of biological activity. Heteroatom replacements and/or bond order variation render topologically equivalent scaffolds chemically distinct and also contribute to differences in the biological activity of compounds containing these scaffolds. Relationships between core structure topology, chemical modifications, and observed activity profiles are difficult to analyze. A computational method is introduced to consistently assess chemical transformations that distinguish scaffolds with conserved topology. The methodology is applied to quantify chemical differences in conserved topological environments and systematically relate chemical changes in topologically equivalent scaffolds to associated activity profiles.
Thin layer chromatography‐autography‐high resolution mass spectrometry analysis: accelerating the identification of acetylcholinesterase inhibitors
Authors: Ramallo I. Ayelen , Salazar Mario O. , Furlan Ricardo L. E. 
Published: June 2015

AbstractIntroductionThe prevailing treatment for Alzheimer's disease is the use of acetylcholinesterase (AChE) inhibitors. Natural extracts are the principal source of AChE's inhibitors. However, their chemical complexity demands for simple, selective and rapid assays.ObjectiveTo develop a strategy for identification of AChE inhibitors present in mixtures employing high resolution mass spectrometry (HRMS) and thin layer chromatography (TLC)‐biological staining.MethodologyThe strategy uses an autographic assay based on the α‐naphthyl acetate – fast blue B system for the detection of AChE activity. The immobilisation of AChE in agar allowed the extraction of the compounds for analysis by HRMS. Three TLC experiments employing different solvent systems were used in parallel and the mass spectra of the compounds extracted from the inhibition halos, were compared. The analysis was performed under MatLab environment.ResultsThe strategy was used to detect the presence of physostigmine in an extract of Brassica rapa L. spiked with the inhibitor. Similarly, caffeine was straightforwardly spotted as responsible for the inhibitory properties of an extract of Ilex paraguariensis Saint‐Hilaire. Comparison of the HRMS profiles lead to the facile identification of the [M+H]+ and [M+Na]+ of the compounds responsible for the inhibition.ConclusionThe proposed methodology, coupling TLC‐AChE autography‐HRMS, illustrates the feasibility of assigning molecular formulas of active compounds present in complex mixtures directly from autography. The new AChE agar‐immobilised assay presented a more homogenous colour and a better definition than direct spraying methods, reducing the cost of the assay and improving its sensitivity. Copyright © 2015 John Wiley & Sons, Ltd.
Rapid separation of three proanthocyanidin dimers from Iris lactea Pall. var. Chinensis (Fisch.) Koidz by high‐speed counter‐current chromatography with continuous sample load and double‐pump balancing mode
Authors: Lv Huanhuan , Yuan Zhenzhen , Wang Xiaoyan , Wang Zhenhua , Suo Yourui , Wang Honglun 
Published: June 2015

AbstractIntroductionThe dried seeds of Iris lactea have been used in traditional Chinese medicine. Previous studies have been focused on irisquinones while other chemical components are rarely reported.ObjectiveTo establish an efficient high‐speed counter‐current chromatography (HSCCC) separation method with continuous sample load (CSL) and double‐pump balancing (DPB) mode to isolate proanthocyanidins from I. lactea.MethodsFirstly, an ethyl acetate extract of I. lactea was pre‐fractionated by silica column chromatography for the enrichment of proanthocyanidins. Secondly, the enriched proanthocyanidins sample (EPS) was further fractionated by HSCCC with a two‐phase solvent system ethyl acetate:n‐butanol:water (9:1:10, v/v/v) using DPB mode. The flow rate of the two phases was 2.2 mL/min, the revolution speed was 900 rpm, the separation temperature was 30 °C and the detection wavelength was 280 nm. Finally, the structures of the three isolated proanthocyanidins were elucidated by spectroscopic methods and compared with published data.ResultsUnder the optimized conditions, 600 mg of the EPS with six continuous injections (100 mg/time) was fractionated, yielding 57 mg of prodelphinidin B3, 198 mg of procyanidin B3, and 162 mg of procyanidin B1, at purities of 97.2%, 98.1% and 97.3%, respectively.ConclusionsThe HSCCC separation method with CSL and DPB proved to be rapid, convenient and economical, constituting an efficient strategy for the isolation of proanthocyanidins. Copyright © 2015 John Wiley & Sons, Ltd.
Brownian dynamics simulation of two‐dimensional nanosheets under biaxial extensional flow
Authors: Xu Yueyi , Green Micah J. 
Published: June 2015

ABSTRACTThe morphology dynamics of two‐dimensional nanosheets under extensional flow are investigated using a coarse‐grained model. Nanosheets (graphene, BNNS, MX2) are promising materials for a variety of materials and electronics applications. Extensional flow fields are often present during dispersion processing, such as spin coating. Both nanosheet properties (e.g., moduli, size) and processing parameters (e.g., extension rate) can have a significant impact on the nanosheet morphology and thus, the structure and properties of the bulk material. Our previously developed dimensionless Brownian dynamics methodology is used to explore biaxial extensional flow. Nanosheets exhibit a flat conformation under extensional flow for high bending moduli and an extended “washrag” conformation for low bending moduli. Intrinsic extensional viscosity increases with strain before reaching a plateau. The intrinsic viscosity exhibits a weak power law with nanosheet molecular weight. These simulation results allow for experimental control over morphology as a function of nanosheet properties and flow type and strength. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 1247–1253
Recent progress in electrospun nanofibers: Reinforcement effect and mechanical performance
Authors: Mohammadzadehmoghadam Soheila , Dong Yu , Jeffery Davies Ian 
Published: June 2015

ABSTRACTComposite materials are becoming increasingly important as structural materials for aeronautical and space engineering, naval, automotive, and civil engineering, sporting goods, and other consumer products. Fiber‐based reinforcement represents one of the most effective manufacturing strategies for enhancing the mechanical strength and other properties of composite materials. Electrospinning has gained widespread interest in the last two decades because of its ability to fabricate continuous ultrafine nanofibers with unique characteristics. The impact of electrospinning on fiber synthesis and processing, characterization, and applications in drug delivery, nanofiltration, tissue scaffolding, and electronics has been extensively studied in the past. In this article, the authors have focused on a comprehensive review of the mechanical performance and properties of electrospun nanofibers as potential reinforcements as well as their advanced nanocomposites. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys.2015,53, 1171–1212
Going Back to Pakistan for Education? The Interplay of Return Mobilities, Education, and Transnational Living
Authors: Erdal Marta Bivand , Amjad Anum , Bodla Qamar Zaman , Rubab Asma 
Published: June 2015

AbstractThis paper explores the ways in which experiences with return migration are intertwined with considerations about education. How is education a part of returnees' stories about return to Pakistan, and what are the implications that can be drawn to better understand return mobilities and transnational living? While the academic discussion of education in relation to migration has been pre‐occupied with integration concerns, bringing together literatures on transnational parenting, return migration, and integration, with the intersecting theme of education, provides valuable synergies. The paper draws on 21 semi‐structured interviews with returnees from Norway in Pakistani Punjab and focus groups with returnees from Europe and with non‐migrants in returnee‐areas in Pakistan. We argue that education is one of a few reoccurring issues that return migrants mention as a motivation for returning, alongside various family considerations. For many returnees, education is as much about the cultural Pakistani, or religious Islamic dimensions, as it is about purely academic objectives. Seven different ways in which education and return migration are intertwined are identified and discussed. The paper shows the ways in which education and mobility choices are closely connected, for a particular sub‐group of Pakistani migrants' who over their lifespan lead transnational lives. © 2015 The Authors.Population, Space and Placepublished by John Wiley & Sons Ltd.
Cd3[B2P4O14(OH)4]: A 3D Open‐Framework Cadmium Borophosphate with Unique Twisted 8‐Ring Channels
Authors: Zhang Dan , Feng Yuquan , Li Guanghua , Yuan Hongming 
Published: June 2015

AbstractAbstract. The cadmium borophosphate compound Cd3[B2P4O14(OH)4] was synthesized under mild hydrothermal conditions. The crystal structure was determined by single‐crystal X‐ray diffraction [triclinic, space group P$\bar{1}$ (no. 2), a = 5.4362(11) Å, b = 8.2190(16) Å, c = 8.3918(17) Å, and α = 111.87(3)°, β = 104.63(3)°, γ = 90.73(3)°, V = 334.29(12) Å3 and Z = 1]. The 3D open framework of the title compound is constructed from BO3(OH) tetrahedra and 2D layers along the [100] direction. The resulting framework contains twisted eight‐membered rings that form 1D channels.
Brief report: Ethnic identity and aggression in adolescence: A longitudinal perspective
Authors: Benish‐Weisman Maya 
Published: June 2015

ABSTRACTEthnic identity has been found to relate to many positive psychological outcomes, such as self‐esteem and well‐being, but little has been said about negative social outcomes such as aggression, nor have these relations been tested across time. The current study examined the concurrent and longitudinal relations between ethnic identity and peer nominated aggression at two time points with a two‐year interval (8th and 10th grades) in a sample of 125 Israeli adolescents with an immigration background (56.8% girls). As hypothesized, ethnic identity related negatively to aggression at both T1 and T2. In addition, ethnic identity predicted a relative decrease in future aggression. Given these findings, the article suggests the importance of strengthening ethnic identity through interventions and educational programs.
Task shifting in maternal and newborn health care: Key components from policy to implementation
Authors: Deller Barbara , Tripathi Vandana , Stender Stacie , Otolorin Emmanuel , Johnson Peter , Carr Catherine 
Published: June 2015

AbstractTask shifting in various forms has been adopted extensively around the world in an effort to expand the reach of lifesaving services to the women, newborns, and families who need them. The emerging global literature, as well as Jhpiego's field experiences, supports the importance of addressing several key components that facilitate effective task shifting in maternal and newborn health care. These components include: (1) policy and regulatory support; (2) definition of roles, functions, and limitations; (3) determination of requisite skills and qualifications; (4) education and training; and (5) service delivery support, including management and supervision, incentives and/or remuneration, material support (e.g. commodities), and referral systems. Jhpiego's experiences with task shifting also provide illustrations of the complex interplay of these key components at work in the field. Task shifting should be considered as a part of the larger health system that needs to be designed to equitably meet the needs of mothers, newborns, children, and families.
A facility birth can be the time to start family planning: Postpartum intrauterine device experiences from six countries
Authors: Pfitzer Anne , Mackenzie Devon , Blanchard Holly , Hyjazi Yolande , Kumar Somesh , Lisanework Kassa Serawit , Marinduque Bernabe , Mateo Marie Grace , Mukarugwiro Beata , Ngabo Fidele , Zaeem Shabana , Zafar Zonobia , Smith Jeffrey Michael 
Published: June 2015

AbstractInitiation of family planning at the time of birth is opportune, since few women in low‐resource settings who give birth in a facility return for further care. Postpartum family planning (PPFP) and postpartum intrauterine device (PPIUD) services were integrated into maternal care in six low‐ and middle‐income countries, applying an insertion technique developed in Paraguay. Facilities with high delivery volume were selected to integrate PPFP/PPIUD services into routine care. Effective PPFP/PPIUD integration requires training and mentoring those providers assisting women at the time of birth. Ongoing monitoring generated data for advocacy. The percentages of PPIUD acceptors ranged from 2.3% of women counseled in Pakistan to 5.8% in the Philippines. Rates of complications among women returning for follow‐up were low. Expulsion rates were 3.7% in Pakistan, 3.6% in Ethiopia, and 1.7% in Guinea and the Philippines. Infection rates did not exceed 1.3%, and three countries recorded no cases. Offering PPFP/PPIUD at birth improves access to contraception.
Evolution of malaria in pregnancy control: Jhpiego's 10‐year contribution
Authors: Roman Elaine , Ngindu Augustine , Orji Bright , Zoungrana Jérémie , Robbins Sarah , Brieger William 
Published: June 2015

AbstractMalaria continues to be a life‐threatening illness throughout Sub‐Saharan Africa, with pregnant women and children being particularly vulnerable and an estimated 10 000 women and 200 000 newborns dying each year as a result of malaria in pregnancy (MIP). Since 2004, WHO has supported a three‐pronged MIP approach: (1) intermittent preventive treatment with sulfadoxine‐pyrimethamine; (2) use of insecticide‐treated bed nets; and (3) effective case management. The present article identifies benchmarks in Jhpiego's 10‐plus years of MIP experience at the regional and national levels that have contributed to its global MIP leadership and aligned programs and policies with global approaches toward malaria elimination. As countries continue to develop and expand MIP programming, support will continue to be essential in the following eight MIP program areas: integration, policy, capacity development, community engagement, quality assurance, commodities, monitoring and evaluation, and financing.
Scaling up high‐impact interventions: How is it done?
Authors: Smith Jeffrey Michael , de Graft‐Johnson Joseph , Zyaee Pashtoon , Ricca Jim , Fullerton Judith 
Published: June 2015

AbstractBuilding upon the World Health Organization's ExpandNet framework, 12 key principles of scale‐up have emerged from the implementation of maternal and newborn health interventions. These principles are illustrated by three case studies of scale up of high‐impact interventions: the Helping Babies Breathe initiative; pre‐service midwifery education in Afghanistan; and advanced distribution of misoprostol for self‐administration at home births to prevent postpartum hemorrhage. Program planners who seek to scale a maternal and/or newborn health intervention must ensure that: the necessary evidence and mechanisms for local ownership for the intervention are well‐established; the intervention is as simple and cost‐effective as possible; and the implementers and beneficiaries of the intervention are working in tandem to build institutional capacity at all levels and in consideration of all perspectives.
Best practices for a successful MNCH partnership that an external evaluation could never find: Experiences from the Maternal and Child Health Integrated Program
Authors: Agarwal Koki , Caiola Nancy , Gibson Anita 
Published: June 2015

AbstractPartnerships for maternal, newborn, and child health (MNCH) are increasingly prevalent, yet little has been published about the possible reasons for their success or failure. In this commentary, we assess the presence of four principles for a successful collaborative partnership—clear goals, clear roles, trust, and commitment—within the Maternal and Child Health Integrated Program (MCHIP), an MNCH partnership among eight implementing organizations that was funded by USAID from 2008 to 2014. MCHIP made substantial strides in developing clear goals and partner roles, and despite external constraints, to develop the trust and commitment needed to work in an interdependent manner. Future collaborative MNCH partnerships should pursue a shared understanding of these four principles as early and often as possible to ensure success.
Vouchers for family planning and sexual and reproductive health services: A review of voucher programs involving Marie Stopes International among 11 Asian and African countries
Authors: Eva Gillian , Quinn Andrew , Ngo Thoai D. 
Published: June 2015

AbstractObjectivesTo evaluate provision of vouchers for family planning and sexual and reproductive health (SRH) services.MethodsA review was conducted to assess the effects of 24 voucher programs in Marie Stopes International programs across 11 countries in Asia and Africa between 2005 and the present. The outcome measures were uptake of services; service use among specific subgroups; user satisfaction with service quality; and efficiency of service delivery.ResultsTwelve of the 24 programs covered family planning only, whereas the other 12 programs covered family planning and/or SRH. Service uptake increased following implementation, although voucher redemption rates varied by program (44.1%–92.4%). Most programs were successful in reaching subgroups, such as the poor and young (under 25 years), although this outcome depended on the targeting approach. Most programs recorded high user satisfaction; however, the evidence regarding efficiency was mixed.ConclusionsVouchers increased uptake of services and, in some cases, improved service quality and reach to specific groups. Nevertheless, robust evaluation designs are required to measure efficiency.
An automatic 3D CAD model errors detection method of aircraft structural part for NC machining
Authors: Huang Bo , Xu Changhong , Huang Rui , Zhang Shusheng 
Published: June 2015

Abstract
Feature-based NC machining, which requires high quality of 3D CAD model, is widely used in machining aircraft structural part. However, there has been little research on how to automatically detect the CAD model errors. As a result, the user has to manually check the errors with great effort before NC programming. This paper proposes an automatic CAD model errors detection approach for aircraft structural part. First, the base faces are identified based on the reference directions corresponding to machining coordinate systems. Then, the CAD models are partitioned into multiple local regions based on the base faces. Finally, the CAD model error types are evaluated based on the heuristic rules. A prototype system based on CATIA has been developed to verify the effectiveness of the proposed approach.
Highlights The 3D CAD model of an aircraft structural part is partitioned into multiple local regions in terms of the base faces. The fillet association level graph is proposed to represent the local region for exploring the CAD model errors. An automatic CAD model error detection method based on heuristics rule is proposed.
Evidence for Intensive Aphasia Therapy: Consideration of Theories From Neuroscience and Cognitive Psychology
Authors: Dignam Jade K. , Rodriguez Amy D. , Copland David A. 
Published: June 2015

AbstractTreatment intensity is a critical component to the delivery of speech‐language pathology and rehabilitation services. Within aphasia rehabilitation, however, insufficient evidence currently exists to guide clinical decision making with respect to the optimal treatment intensity. This review considers perspectives from 2 key bodies of research, the neuroscience and cognitive psychology literature, with respect to the scheduling of aphasia rehabilitation services. Neuroscience research suggests that intensive training is a key element of rehabilitation and is necessary to achieve functional and neurologic changes after a stroke occurs. In contrast, the cognitive psychology literature suggests that optimal long‐term learning is achieved when training is provided in a distributed or nonintensive schedule. These perspectives are evaluated and discussed with respect to the current evidence for treatment intensity in aphasia rehabilitation. In addition, directions for future research are identified, including study design, methods of defining and measuring treatment intensity, and selection of outcome measures in aphasia rehabilitation.
Physical Activity Level Among Stroke Patients Hospitalized in a Rehabilitation Unit
Authors: Lacroix Justine , Daviet Jean‐Christophe , Borel Benoit , Kammoun Benjamin , Salle Jean‐Yves , Mandigout Stéphane 
Published: June 2015

AbstractBackgroundThe current literature contains little information about the level of physical activity of hospitalized patients who have had a stroke. Improving knowledge in the area could help optimize rehabilitation.ObjectivesTo determine the level of physical activity of hospitalized patients who have had a stroke to discover if they achieved the recommended 30 minutes of physical activity per day (equivalent to 142 kcal) during sessions of 10 consecutive minutes.SettingPhysical and Rehabilitation Medicine Unit of the Jean Rebeyrol Hospital, Limoges, France.ParticipantsAll patients (N = 88) who had sustained a stroke within the previous 6 months were included over a period of 7 months.Main Outcome MeasuresThe duration of physical activity and related energy expenditure were estimated using a SenseWear armband (BodyMedia [Jawbone]). Subjects wore the sensor on the nonparetic arm for 2 consecutive days from 9 am to 4:30 pm, corresponding to the period spent daily on rehabilitation. The Fisher simple correlation test and Mann‐Whitney nonparametric test were performed.ResultsA total of 88 patients aged 66 ± 17 years with a mean poststroke period of 43 ± 34 days and a mean Barthel Index of 61 ± 25/100 were enrolled in the study. Between 9 am and 4:30 pm, patients took part in an average of 23 ± 30 minutes of physical activity (equivalent to 91 ± 122 kcal). Correlations were found between physical activity time in the hospital and physical activity before the stroke occurred (r = 0.345, P < .0001), the Barthel Index (r = 0.284, P = .0002), body mass index (r = −0.440, P < .0001), and time to hospital release (r = −0.183, P = .0194).ConclusionIt was found that 62% of patients did not achieve the recommended amount of physical activity. Sessions dedicated to physical activity could motivate patients who have had a stroke and help them meet recommendations before leaving the rehabilitation unit.