bluuebunny/crossref_metadata_2025 huggingface dataset:
Multicompartment Polymeric Nanoreactors for Non‐Orthogonal Cascade Catalysis
Authors: Womble C. Tyler , Kuepfert Michael , Weck Marcus
Published: October 2018

Spatial confinement of multiple catalysts presents an effective strategy for performing sequential or tandem chemical transformations in a one‐pot reaction. These methods may be used to catalyze numerous reactions in conditions that are otherwise incompatible between catalyst and solvent, different catalysts, or reagents. Appropriate site isolation or support structure design will lead to significant advantages in atom economy, purification, and costs; the development of the interface between a catalyst and its confined microenvironment is paramount for realizing the next generation of nanoreactors. Polymer scaffolds can create tailor‐made microenvironments resulting in catalyst compartmentalization. Through the optimization of a number of variables such as size, solubility, functionality, and morphology of the nanoreactor, catalyst activity and selectivity can be tuned. In this feature article, design principles and early strategies for polymer supports for catalyst site‐isolation are introduced, and current strategies toward multicompartment polymer nanoreactors for non‐orthogonal cascade catalysis are discussed. Future design trends in this burgeoning field are outlined in the conclusion.
Synthesis of Multifunctional Homopolymers through Using Thiazolidine Chemistry and Post‐Polymerization Modification
Authors: Kubo Tomohiro , Swartz Jeremy L. , Scheutz Georg M. , Sumerlin Brent S.
Published: October 2018

Multifunctional homopolymers, defined here as polymers that contain multiple reactive functional groups per repeat unit, are versatile scaffolds for preparing complex macromolecules via post‐polymerization modification. However, there are limited methods for preparing multifunctional homopolymers that contain more than one nucleophilic site per repeat unit. Herein, a strategy to synthesize a multifunctional homopolymer using thiazolidine chemistry is demonstrated. Controlled radical polymerization of a thiazolidine‐containing acrylamido monomer allows for the synthesis of a polymer with pendent latent nucleophiles. Ring‐opening of the thiazolidine affords a homopolymer with two side‐chain reactive sites, an amine and a thiol. One‐pot functionalization via disulfide formation and acyl substitution is performed to introduce two distinct groups in each repeat unit.
Design of Potent Panobinostat Histone Deacetylase Inhibitor Derivatives: Molecular Considerations for Enhanced Isozyme Selectivity between HDAC2 and HDAC8
Authors: Stoddard Shana V. , May Xavier A. , Rivas Fatima , Dodson Kyra , Vijayan Sajith , Adhika Swetha , Parker Kordarius , Watkins Davita L.
Published: October 2018

Histone Deacetylases (HDACs) are an important family of 18 isozymes, which are being pursued as drug targets for many types of disorders. HDAC2 and HDAC8 are two of the isozymes, which have been identified as drug targets for the design of anti‐cancer, neurodegenerative, immunological, and anti‐parasitic agents. Design of potent HDAC2 and HDAC8 inhibitors will be useful for the therapeutic advances in many disorders. This work was undertaken to develop potent HDAC2 and HDAC8 inhibitors. A docking study was performed comparing panobinostat derivatives in both HDAC2 and HDAC8. Six of our derivatives showed stronger binding to HDAC2 than panobinostat, and two of our derivatives showed stronger binding to HDAC8 than panobinostat. We evaluated the molecular features, which improved potency of our inhibitors over panobinostat and also identified another molecular consideration, which could be used to enhance histone deacetylase inhibitor (HDACi) selectivity towards either the HDAC2 or HDAC8 isozymes. The results of this work can be used to assist future design of more potent and selective HDACi for HDAC2 and HDAC8.
Source and coefficient identification problems for the wave equation on graphs
Authors: Avdonin Sergei , Bell Jonathan , Mikhaylov Victor , Nurtazina Karlygash
Published: October 2018

Avdonin and Kurasov proposed a leaf peeling method based on the boundary control to recover a potential for the wave equation on a tree. Avdonin and Nicaise considered a source identification problem for the wave equation on a tree. This paper extends the methodology to the wave equation with unknown potential and source distributed parameters defined on a general tree graph.
Validated bounds on embedding constants for Sobolev space Banach algebras
Authors: Wanner Thomas
Published: October 2018

Sobolev spaces and their embedding properties have long been of central importance in the study of partial differential equations, particularly for the classical theoretical analysis of both linear and nonlinear problems. In recent years, computer‐assisted proof techniques have been developed for obtaining existence and uniqueness proofs of solutions to a variety of nonlinear partial differential equations that arise in applications, and they have led to a number of new results that currently lie beyond the reach of classical analytical approaches. The use of computer‐assisted methods, however, frequently relies on the explicit knowledge of a variety of embedding constants for Sobolev spaces. In the present paper, we show that in the context of certain Sobolev space Banach algebras, these constants themselves can be bounded rigorously and precisely using validated computations based on interval arithmetic, combined with analytical error estimates.
Broadband dual‐polarized MICROSTRIP antenna fed with horizontal coaxial baluns
Authors: Row Jeen‐Sheen , Ko Ting‐Hung
Published: October 2018

A novel feed mechanism for dual‐polarized microstrip patch antennas with broadband operation and high isolation is presented. The feed structure is a coaxial balun composed of coaxial cables and copper tubes, and it is placed parallel to the ground plane. With the horizontal coaxial baluns, the radiating patch can be symmetrically excited through proximity coupling. For the proposed feed mechanism, the parametric analyses are performed, and the critical dimension affecting the impedance bandwidth of the microstrip antenna is also addressed. An antenna prototype is constructed, and its measured results indicate that the microstrip antenna can give an impedance bandwidth of more than 20%, and within the bandwidth, the isolation between the two orthogonal ports is higher than 40 dB; moreover, symmetrical broadside radiation with low cross polarization is obtained. Simulated results for the cases of microstrip antennas with various substrate thicknesses are also provided.
Quantitative 3D dynamic contrast‐enhanced (DCE) MR imaging of carotid vessel wall by fast T1 mapping using Multitasking
Authors: Wang Nan , Christodoulou Anthony G. , Xie Yibin , Wang Zhenjia , Deng Zixin , Zhou Bill , Lee Sangeun , Fan Zhaoyang , Chang Hyukjae , Yu Wei , Li Debiao
Published: October 2018

Purpose

To develop a dynamic contrast‐enhanced (DCE) MRI method capable of high spatiotemporal resolution, 3D carotid coverage, and T1‐based quantification of contrast agent concentration for the assessment of carotid atherosclerosis using a newly developed Multitasking technique.

Methods

5D imaging with 3 spatial dimensions, 1 T1 recovery dimension, and 1 DCE time dimension was performed using MR Multitasking based on low‐rank tensor modeling, which allows direct T1 quantification with high spatiotemporal resolution (0.7 mm isotropic and 595 ms, respectively). Saturation recovery preparations followed by 3D segmented fast low angle shot readouts were implemented with Gaussian‐density random 3D Cartesian sampling. A bulk motion removal scheme was developed to improve image quality. The proposed protocol was tested in phantom and human studies. In vivo scans were performed on 14 healthy subjects and 7 patients with carotid atherosclerosis. Kinetic parameters including area under the concentration versus time curve (AUC), vp, Ktrans, and ve were evaluated for each case.

Results

Phantom experiments showed that T1 measurements using the proposed protocol were in good agreement with reference value (). In vivo studies demonstrated that AUC, vp, and Ktrans in the patient group were significantly higher than in the control group (0.63 ± 0.13 versus 0.42 ± 0.12, P < 0.001; 0.14 ± 0.05 versus 0.11 ± 0.03, P = 0.034; and 0.13 ± 0.04 versus 0.08 ± 0.02, P < 0.001, respectively). Results from repeated subjects showed good interscan reproducibility (intraclass correlation coefficient: vp, 0.83; Ktrans, 0.87; ve, 0.92; AUC, 0.94).

Conclusion

Multitasking DCE is a promising approach for quantitatively assessing the vascularity properties of the carotid vessel wall.
Whole brain measurements of the positive BOLD response variability during a finger tapping task at 7 T show regional differences in its profiles
Authors: Boillat Yohan , van der Zwaag Wietske
Published: October 2018

Purpose

The positive BOLD response can vary across brain regions. Here, the positive BOLD responses of motor regions, including the cerebellum, were investigated by fast fMRI acquisition.

Methods

The participants were asked to perform an event‐related finger‐tapping task in a 7T MRI scanner during a fast 3D‐EPI controlled aliasing in parallel imaging acquisition protocol (CAIPI; TR = 399 ms). The positive BOLD responses of 6 motor regions were extracted and their timings and shapes measured.

Results

Compared with other brain regions, the positive BOLD responses in the cerebellum and secondary somatosensory cortex showed delayed onsets, but no differences were observed for the time to‐peak. Additionally, variations of the undershoot and main peak amplitudes were also observed, and undershoot was quasi‐absent in the cerebellum.

Conclusion

This study confirms that care should be taken when drawing conclusions about neuronal activity from the BOLD signal, particularly for the cerebellum.
SANISAND‐FN: An evolving fabric‐based sand model accounting for stress principal axes rotation
Authors: Petalas Alexandros L. , Dafalias Yannis F. , Papadimitriou Achilleas G.
Published: October 2018

SANISAND is the name of a family of bounding surface plasticity constitutive models for sand within the framework of critical state theory, which have been able to realistically simulate the sand behavior under conventional monotonic and cyclic loading paths. In order to incorporate the important role of evolving fabric anisotropy, one such model was modified within the framework of the new anisotropic critical state theory and named SANISAND‐F model. Yet the response under continuous stress principal axes rotation requires further modification to account for the effect of ensuing noncoaxiality on the dilatancy and plastic modulus. This modification is simpler than what is often proposed in the literature, since it does not incorporate an additional plastic loading mechanism and/or multiple dilatancy and plastic modulus expressions. The new model named SANISAND‐FN is presented herein and is validated against published data for loading that includes drained stress principal axes rotation on Toyoura sand.
A New Method for Studying Licking Behavior Determinants in Rodents: Application to Diet‐Induced Obese Mice
Authors: Dastugue Aurélie , Merlin Jean‐François , Maquart Guillaume , Bernard Arnaud , Besnard Philippe
Published: October 2018

Objective

An original device for exploring taste‐guided reward behavior in rodents using a newly designed computer‐controlled liquid delivery system equipped with “lickometers” is described.

Methods

This octagonal shaped “gustometer” is composed of eight shutters that give random access during a few seconds to eight bottles delivering different liquid stimuli. This original design, which forces the animal to move for access to the drinking source, allows a simultaneous analysis of the licking behavior and motivation to drink. Determination of the sucrose licking behavior in diet‐induced obese mice was used to validate this method because nutritional obesity disturbs the sweet taste perception in rodents.

Results

A rise in sucrose response threshold and a decrease in the motivation to drink sweet solutions were found in mice fed the obesogenic diet. These data were highly reproducible among independent studies and corroborated the existence of functional links between diet‐induced obesity and gustation in rodents.

Conclusions

The FRM‐8 gustometer appears to be especially suitable for exploring determinants of behavioral outputs in response to oro‐sensory stimuli in the mouse. It also provides substantial information on the taste‐reward relationship, useful for better understanding the origin of gustatory efficiency or, conversely, dysfunction, as reported in nutritional obesity.
In and Out of Place: Ethnography as ‘Journeying With’ Between Central and South Australia
Authors: Hinkson Melinda
Published: October 2018

This paper explores the case of an Aboriginal woman from Central Australia who has in recent years experienced a radical shift in her life circumstances. It pursues a writerly approach that makes the variety of forces and relationships legible that she now navigates, including that of the anthropologist‐friend. ‘Journeying with’ is proposed as an ethnographic method as well as an ethical stance well attuned to the turbulent circumstances of the present—in the Warlpiri life sketched here, and globally. Destabilization and displacement are increasingly common features of contemporary experience, and this paper proposes that ethnography anchored at the level of the individual person is well placed to engage unsettling transformations in the world at large, in social relationships, and modes of personhood, as well as in anthropological production.
Reactions of a Polyhalide Ionic Liquid with Copper, Silver, and Gold
Authors: May Benjamin , Lexow Matthias , Taccardi Nicola , Steinrück Hans‐Peter , Maier Florian
Published: October 2018

The reactions of copper, silver, and gold with the imidazolium‐based polyhalide ionic liquid (IL) [C6C1Im][Br2I] were investigated by using X‐ray photoelectron spectroscopy (XPS), weight‐loss measurements, and gas‐phase mass spectrometry. All three Group 11 metals are strongly corroded by the IL at moderate temperatures to give a very high content of dissolved CuI, AgI, and AuI species. The IL–metal solutions are stable against contact with water and air. The replacement of imidazolium with inorganic sodium cations decreased metal corrosion rates by orders of magnitude. Our results clearly indicate metal oxidation by iodide from dibromoiodide anions to form molecular iodine and anionic [Br‐MI‐Br]− (M=Cu, Ag, Au) complexes stabilized by imidazolium counterions. From experiments with a trihalide IL with imidazolium methylated at the 2‐position, we ruled out the formation of imidazole–carbene as a cause of the observed corrosion. In contrast to Group 11 metals, molybdenum is inert against the trihalide IL, which is attributed to surface passivation.
Improve Filter Backwash Performance With Process Testing
Authors: Brewer Todd F. , Linder Kevin
Published: October 2018

As an essential component of the multibarrier approach to safe drinking water, filtration represents the core of the Partnership for Safe Water's Treatment Optimization Program.
Flint's Road to Recovery: On the Path to Distribution System Optimization
Authors: Borchers Mike , Slabaugh Rebecca , Hill Christopher , Slaven Kevin
Published: October 2018

Flint, Mich., is in the process of recovering from one of the most highly publicized water crises in recent memory. Distribution system optimization is a key component of the water system's restoration and long‐term viability.
Training Improves Emergency Response Resiliency and Readiness
Authors: Joplin Ruth , Karpinski Edward , Dring Reed
Published: October 2018

Develop ongoing practice drills for emergency operations plans to help water professionals quickly respond to disasters of all kinds.
Promote Utility Excellence Through Professional Certification
Authors: Bishop Paul , Cranford Alan
Published: October 2018

Operator certification programs have long experienced difficulties in creating reciprocal recognition of certification. Now the Professional Operator certification program presents opportunities for operator certification authorities to improve reciprocity application processing.
Rheological and thermal studies of polystyrene calcium phosphate nanocomposites
Authors: Thomas Selvin P.
Published: October 2018

Polystyrene‐calcium phosphate nanocomposites were prepared in an internal mixer by the melt mixing technique with as synthesized calcium phosphate nanoparticles. The composites were characterized by different techniques. Rheological aspects of the composites revealed the ease of processability and viscosity characteristics of the composites. Thermogravimetric analysis of the composites showed that the thermal stability of the composites improved by the incorporation of the nanofillers especially for the 3% and 5% filled systems. Flammability tests were carried out with a microcalorimeter, and it was found that the heat release rate decreased with respect to the filler loading.
A phase II study of eribulin in recurrent or refractory osteosarcoma: A report from the Children's Oncology Group
Authors: Isakoff Michael S. , Goldsby Robert , Villaluna Doojduen , Krailo Mark D. , Hingorani Pooja , Collier Anderson , Morris Carol D. , Kolb E. Anders , Doski John J. , Womer Richard B. , Gorlick Richard , Janeway Katherine A.
Published: October 2018

Background

Patients with recurrent or refractory osteosarcoma have a poor prognosis with less than 30% surviving two years. Eribulin is a synthetic analog of halichondrin B, has a novel mechanism of action when compared with other microtubule inhibitors, and may have antitumor activity in osteosarcoma.

Methods

A prospective study was designed to assess the disease control success at four months and objective response rates in patients with recurrent or refractory osteosarcoma treated with eribulin. Eligible patients were between 12 and 50 years of age, had measurable tumor, and met standard organ function requirements. Patients were given eribulin 1.4 mg/m2/dose on days 1 and 8 of each 3‐week cycle for up to 24 months if there was no progressive disease. Response to therapy was assessed using RECIST 1.1 criteria after cycles 2 and 5 and every fourth cycle thereafter.

Results

Nineteen patients enrolled on the AOST1322 study. The median age of enrollment was 16 years (range, 12–25 years). Twelve patients were male and seven female. Eribulin was well tolerated, with neutropenia identified as the most common toxicity. The median progression‐free survival was 38 days and no patients reached the four‐month time point without progression. No objective responses were seen in any patient.

Conclusion

This study rapidly assessed the clinical activity of a novel agent in this patient population. Eribulin was well tolerated, but there were no patients who demonstrated objective response, and all patients had progression prior to four months.
Accelerated hygrothermal aging of Talc/Cycloaliphatic epoxy composites
Authors: Tomasi Julie M. , Krieg Aaron S. , Jensen Nicholas J. , Miskioglu Ibrahim , King Julia A. , Odegard Gregory M.
Published: October 2018

Cycloaliphatic epoxy (CE) systems are resistant to many aging mechanisms, which make them useful in applications with harsh environments. Reinforcement has been used in epoxy systems to decrease water absorption and improve aging resistance; thus, it is expected that talc would benefit CE systems in a similar manner. Neat, 10, and 20 wt% talc/CE composites were aged at 50 °C and 100% relative humidity for up to 398 hr. Three‐point bend testing and dynamic mechanical analysis were performed on the aged and unaged samples. Talc reduced the amount of water absorbed in the composites significantly, and increased the composite flexural stiffness at all aging levels. Talc does not appear to mitigate the negative effects of aging on flexural strength or glass transition temperature (Tg). POLYM. COMPOS., 40:2946–2953, 2019. © 2018 Society of Plastics Engineers
Assessment of prior opioid tolerance among new users of fentanyl transdermal system in FDA's Sentinel System
Authors: Cocoros Noelle M. , Larochelle Marc R. , Popovic Jennifer , Petrone Andrew B. , Kornegay Cynthia , Ju Jing , Racoosin Judith A.
Published: October 2018

Purpose

Fentanyl transdermal system (FTS) is intended only for patients with prior opioid tolerance. The purpose of this study is to identify the proportion of new FTS users who had evidence of prior opioid tolerance, by dosage strength, in FDA's Sentinel System.

Methods

We identified new FTS episodes (183‐day washout) from 2009 through 2013. Members were <65 years and enrolled in medical and pharmacy coverage for 183 days prior to initial FTS dispensing (index). We assessed the proportion of users with prior tolerance stratified by dosage strength of FTS using four definitions of opioid tolerance: ≥30‐mg oxycodone equivalents/day in each of 7 consecutive days immediately prior to index; ≥30‐mg oxycodone equivalents/day for any 7 days in the 30 days prior to index (secondary); any dose in each of 7 days in the 7 consecutive days immediately prior to index (tertiary); and any dose for any 7 days in the 30 days prior to index (quaternary).

Results

Of 44 450 episodes of 25 mcg/hr FTS, 37% met the primary definition, and 77% met the quaternary definition. Of 3507 episodes of 100 mcg/hr FTS, 57% and 74% met the primary and quaternary definitions, respectively. Those aged 25 to 34 years had the highest proportion of episodes with prior tolerance; those aged 55 to 64 accounted for more of the episodes overall.

Conclusions

In Sentinel, many new users of FTS did not have evidence of prior opioid tolerance by the primary definition, ie, the product label definition, which is the minimum standard for the lowest FTS dose (12 mcg/hr), especially at the highest strength (100 mcg/hr). Validation of this metric is warranted, but our findings suggest the need for further prescriber education regarding appropriate prescribing of FTS.
Pregnancy outcomes in women exposed to cancer chemotherapy
Authors: Danet Chloé , Araujo Mélanie , Bos‐Thompson Marie‐Andrée , Portolan Ghyslaine , Gautier Sophie , Vanlemmens Laurence , Bonenfant Sophie , Jonville‐Béra Annie‐Pierre , Cottin Judith , Vial Thierry , Bavoux Françoise , Montastruc Jean‐Louis , Damase‐Michel Christine , Benevent Justine , Bourgeois‐Mondon Isabelle , Lacroix Isabelle
Published: October 2018

Purpose

There is little data on the effects of cancer chemotherapy in pregnant women. The objective of this study was to describe pregnancy outcomes of women exposed to cancer chemotherapy, recorded in the French Terappel database.

Methods

We performed a descriptive, prospective study of the pregnancies of women exposed to cancer chemotherapy recorded in Terappel between June 1984 and December 2016. Terappel is a French database that has recorded questions of health professionals and/or individuals at the Regional Pharmacovigilance Centres about drugs and pregnancy. For each question, pregnancies are monitored and the outcome is recorded in the database.

Results

In total, 75 questions about “anti‐cancer drugs and pregnancy” received by 16 Regional Pharmacovigilance Centres between 1997 and 2016 were recorded in Terappel. Breast cancer accounted for 62.7% of the cases, followed by leukaemia (13.3%) and lymphoma (9.3%). Cyclophosphamide is the leading anti‐cancer drug with 40.0% of exposed pregnant women, followed by 5‐fluorouracil (34.7%), epirubicin (32.0%), tamoxifen (26.7%), and doxorubicin (16.0%). Among the 75 pregnancies, we observed 55 births with 57 children (73.3%) (two cases of twins), nine medical terminations of pregnancy (12.0%), six voluntary terminations of pregnancy (8.0%), three intrauterine foetal deaths (4.0%), and two miscarriages (2.7%). We found a malformation rate of 7.8%. Sixteen of 57 (28.1%) newborns developed one or more neonatal pathologies.

Conclusion

Pregnancy of women taking anti‐cancer drugs resulted in birth in 73% of cases. Nevertheless, pregnant women exposed to cancer chemotherapy remains at risk of malformations and neonatal conditions related to prematurity and drugs.
Positive Daily Experiences Are Associated with Personality Trait Changes in Middle–Aged Mothers
Authors: Borghuis Jeroen , Denissen Jaap J.A. , Sijtsma Klaas , Branje Susan , Meeus Wim H.J. , Bleidorn Wiebke
Published: October 2018

Theory and research have suggested that recurrent daily experiences can affect personality traits. The present study examined the longitudinal relation between individual differences in positive daily experiences and the Big Five personality traits. Data came from Dutch mothers ( N = 483; M age = 44 years at T1) who completed up to six yearly personality questionnaires and 15 between–year assessment bursts, lasting five consecutive days each. Using multilevel structural equation modelling, we found that individual differences in daily experiences of positive affect and perceived relationship support/affection with partners and children were positively associated with subsequent rank–order changes in all Big Five personality traits. In contrast, we found little evidence that personality traits were associated with rank–order changes in daily experiences, which may be due to the very–high rank–order stability of positive affect and relationship support. Furthermore, positive daily experiences demonstrated incremental validity in predicting rank–order changes in trait agreeableness, emotional stability, and openness, over and above daily negative affect and relationship conflict. The results suggest that positive affective and interpersonal daily experiences contribute to positive personality trait changes in middle adulthood. We discuss these results in the context of contemporary theories of personality trait development. © 2018 European Association of Personality Psychology
A current landscape of specific learning disability identification: Training, practices, and implications
Authors: Maki Kathrin E. , Adams Sarah R.
Published: October 2018

Specific learning disability (SLD) identification procedures vary across states (Maki et al., 2015, School Psychol Quart,
30, 457–469); however, the extent to which SLD identification methods are implemented at the district level is not well understood. Moreover, the high‐stakes nature of SLD identification necessitates extensive training, but research regarding graduate and postgraduate training in SLD is limited. This study examined school psychologists’ SLD training and practices through survey methodology. Results showed that a growing number of school psychologists use, prefer, and receive training in response to intervention and pattern of strengths and weaknesses to identify students with SLD while the use of and preference for ability–achievement discrepancy may be decreasing. However, nearly one‐third of school psychologists still reported the use of ability–achievement discrepancy. In addition, over half of school psychologists reported using state department of education guidance documents to inform their SLD identification practices. Implications for training and practice are discussed.
A validation of the Social Skills domain of the Social Skills Improvement System‐Rating Scales with Chinese preschoolers
Authors: Wu Zhongling , Mak Miranda Chi Kuan , Hu Bi Ying , He Jinbo , Fan Xitao
Published: October 2018

The study explored the validity of the Social Skills Improvement System‐Rating Scales (SSIS‐RS) in a sample of over 4,000 preschool children (aged 3–5 years old) in China. Multiple approaches were used to examine the validity of SSIS‐RS in the Chinese cultural context, including confirmatory factor analysis, convergent and discriminant validity evidence with external measures of learning and developmental outcomes, and internal consistency reliability estimates. The findings supported the SSIS‐RS 7‐factor structure (i.e., communication, cooperation, assertion, engagement, responsibility, empathy, and self‐control) when applied in the Chinese context, and provided strong empirical evidence that SSIS‐RS is a psychometrically sound measure for assessing the social skills of Chinese children. The latent profile analysis was used to provide a descriptive picture of the patterns of different social skills measured by SSIS‐RS among Chinese preschool children. Four classes best described the social skills presentations of children in this study: Lowest Social Skills (14%), Relatively Low Social Skills (41%), Relatively High Social skills (35%), and Highest Social Skills (10%). Implications for intervention practice and future research are discussed.
School threat assessment versus suicide assessment: Statewide prevalence and case characteristics
Authors: Burnette Anna Grace , Huang Francis , Maeng Jennifer L. , Cornell Dewey
Published: October 2018

Threat assessment is a violence prevention strategy used to investigate and respond to threats to harm others. In 2013, Virginia mandated the use of threat assessment teams for threats to self and to others, effectively subsuming suicide assessment with threat assessment and raising questions about the distinction between the two practices. In a statewide sample of 2,861 cases from 926 schools, there were more threats to self (60%) than others (35%), with only 5% involving threats to both self and others. Threats to self were more likely to be made by females (odds ratio [OR] = 3.38) and students with fewer prior disciplinary actions (OR = 0.48). Threats to self were much less likely to involve a weapon (OR = 0.07), but more likely to be attempted (OR = 1.50) and result in mental health services (OR = 2.96). They were much less likely to result in out‐of‐school suspensions (OR = 0.07), legal action (OR = 0.17), and/or changes in placement (OR = 0.53). Overall, these findings support a clear distinction between suicide and threat assessment.
A meta‐analytic review of the evidence for check‐in check‐out
Authors: Drevon Daniel D. , Hixson Michael D. , Wyse Robert D. , Rigney Alexander M.
Published: October 2018

The purpose of this study was to conduct a descriptive and quantitative review of the literature examining the effectiveness of check‐in check‐out (CICO), a commonly used behavioral intervention in the context of a Positive Behavior Interventions and Supports framework. Studies that experimentally investigated the effectiveness of CICO or modified CICO compared with a baseline or control condition on student outcomes were included. A between‐case d‐statistic comparable across single‐case and between‐groups experiments was calculated for 59 dependent variables across 32 studies. The meta‐analysis was conducted using robust variance estimation allowing for the inclusion of multiple effect sizes per study by accounting for dependency between outcomes. The overall effect size,  = 1.22, 95% confidence intervals (1.00, 1.44), suggested CICO improves student outcomes by over one standard deviation. Studies were characterized by considerable heterogeneity that went largely unexplained in moderator analyses. Results are situated in the context of other systematic reviews of CICO and modified CICO. Overall, CICO appears to be an effective intervention; however, at this time, it is unclear what study‐ and sample‐level variables may impact its effectiveness.
Cultural‐competence considerations for contemporary school‐based threat assessment
Authors: O’Malley Meagan D. , Wolf‐Prusan Leora , Lima Rodriguez Cecilia , Xiong Randy , Swarts Mary Rose
Published: October 2018

Threat‐assessment procedures are advanced for their utility in reducing racial disparities in punitive and exclusionary school discipline outcomes. Generally unexamined, however, is bias in who gets referred for school‐based threat assessment and under what circumstances. Cultural‐competence considerations hold promise for addressing sources of bias in the evaluation of threats made in the school setting. Using a quantitative approach, this systematic literature review examines the degree to which contemporary cultural‐competence considerations are embedded in 24 school‐based threat‐assessment articles published between 2007 and 2017. Results indicate generally poor coverage of considerations for cultural competence both within and across threat‐assessment articles. An analysis of change in cultural‐competence considerations by year of publication suggests that more recently published threat‐assessment literature has generally not integrated concurrent advancements in concepts of cultural competence. Preliminary guidance for incorporating contemporary cultural‐competence considerations into school‐based threat‐assessment procedures are provided.
“Did you do your homework?” Mathematics teachers’ homework follow‐up practices at middle school level
Authors: Rosário Pedro , Cunha Jennifer , Nunes Ana Rita , Moreira Tânia , Núñez José Carlos , Xu Jianzhong
Published: October 2018

Teachers’ homework follow‐up practices, the in‐class strategies teachers use to monitor their students’ homework assignments, have an impact on their students’ homework behaviors and academic achievement. The current study explored the perspectives of middle school mathematics teachers on the three domains of homework follow‐up: the practices used in class, the purposes of each practice, and the aspects that may influence this process. Data were collected from two data sources (i.e., focus groups and classroom observations) and were analyzed using thematic analysis. The findings showed that teachers monitored homework either using a single strategy or a combination of strategies (e.g., checking homework completion and providing individual feedback) linked to a specific purpose (e.g., promote students’ involvement). The teachers also reported that they were under certain constraints when they delivered homework follow‐up practices (e.g., pressure to follow the curriculum), so their practices’ effectiveness sometimes can be compromised. Implications for practice are discussed.
An evaluation of the Social Emotional Health Survey—Secondary for use with students with learning disabilities
Authors: Carnazzo Katherine , Dowdy Erin , Furlong Michael J. , Quirk Matthew P.
Published: October 2018

Students with learning disabilities (LD) represent a vulnerable population and are at higher risk for social and emotional challenges compared to their peers without LD. A strengths‐based orientation is recommended to encourage building resilience factors to counteract the negative effects of LD over the lifespan. To identify areas of strength and areas for growth, measurement tools that are appropriate for the population of students with LD are needed. This study examined the psychometric properties of the Social Emotional Health Survey—Secondary for use with students with LD. Data from students in three secondary schools (n = 2,847) were used to confirm the factor structure, establish measurement invariance, and compare the social–emotional profiles of students with and without LD. The LD group was found to report lower overall social–emotional strengths than those of their non‐LD peers. Implications for practitioners and researchers are discussed.
ShinyAIM: Shiny‐based application of interactive Manhattan plots for longitudinal genome‐wide association studies
Authors: Hussain Waseem , Campbell Malachy , Walia Harkamal , Morota Gota
Published: October 2018

Owning to advancements in sensor‐based, non‐destructive phenotyping platforms, researchers are increasingly collecting data with higher temporal resolution. These phenotypes collected over several time points are cataloged as longitudinal traits and used for genome‐wide association studies (GWAS). Longitudinal GWAS typically yield a large number of output files, posing a significant challenge to data interpretation and visualization. Efficient, dynamic, and integrative data visualization tools are essential for the interpretation of longitudinal GWAS results for biologists; however, these tools are not widely available to the community. We have developed a flexible and user‐friendly Shiny‐based online application, ShinyAIM, to dynamically view and interpret temporal GWAS results. The main features of the application include (a) interactive Manhattan plots for single time points, (b) a grid plot to view Manhattan plots for all time points simultaneously, (c) dynamic scatter plots for p‐value‐filtered selected markers to investigate co‐localized genomic regions across time points, (d) and interactive phenotypic data visualization to capture variation and trends in phenotypes. The application is written entirely in the R language and can be used with limited programming experience. ShinyAIM is deployed online as a Shiny web server application at https://chikudaisei.shinyapps.io/shinyaim/, enabling easy access for users without installation. The application can also be launched on a local machine in RStudio.
NMR Analysis of Hydroxyl‐Terminated Polybutadiene End Groups and Reactivity Differences with Monoisocyanates
Authors: Haddad Timothy S. , Moore Levi M. J. , Reams Josiah T. , Ford Michael D. , Marcischak Jacob C. , Guenthner Andrew J. , Mabry Joseph M. , Ghiassi Kamran B.
Published: October 2018

Nuclear magnetic resonance (NMR) spectroscopy was employed to investigate both the end group microstructure of R‐45HTLO hydroxyl‐terminated polybutadiene (HTPB) and reactivity rate differences among the different types of end groups. There is some conflict in the literature about the exact nature of the end groups and which resonance frequencies represent the three main types of methylene‐hydroxyl end groups (cis, trans, or vinyl) and other possible branch point end groups (geraniol). NMR spectral analysis of small molecule model compounds supports the cis, trans, and vinyl end groups model. A model reaction scheme is proposed that produces branch points without the requirement of any “geraniol” structures. The reaction, with and without catalyst, of the various HTPB end groups with three different monoisocyanates (2‐fluorophenyl isocyanate, phenyl isocyanate, and tert‐butyl isocyanate) monitored by NMR spectroscopy, revealed different reactivity rates that are correlated with the assigned structures. In both the catalyzed and uncatalyzed reactions, the vinyl end groups reacted slower than the cis or trans end groups. As expected, the bulky isocyanates were the slowest to react, while the isocyanate group with electron withdrawing groups reacted the fastest. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 2665–2671
The High‐Pressure Characterization of Melt‐Castable Energetic Materials: 3,3′‐Bis‐Oxadiazole‐5,5′‐Bis‐Methylene Dinitrate
Authors: Bennion Jonathan C. , Batyrev Iskander G. , Ciezak‐Jenkins Jennifer A.
Published: October 2018

The high‐pressure behavior of 3,3′‐bis‐oxadiazole‐5,5′‐bis‐methylene dinitrate (BODN) was studied at room temperature to 25 GPa by Raman spectroscopy and powder X‐ray diffraction. The Raman spectra, powder patterns, and calculated unit‐cell volumes at selected pressures show qualitative agreement with first‐principles density function theory calculations. Over this pressure range, no evidence of polymorphism was observed which suggests that this energetic material can be formulated without the concern of forming lower‐density phases at elevated pressures. Vibrational measurements suggest a reversible deformation of the C−C linkage between the oxadiazole rings with increased pressure.
Spectral and structural analysis of a red fluorescent protein from Acropora digitifera
Authors: Kim So Eun , Hwang Kwang Yeon , Nam Ki Hyun
Published: October 2018

Fluorescent proteins (FPs) possess a wide variety of spectral properties that make them of widespread interest as optical markers. These proteins can be applied as pH indicators or metal biosensors. The discovery and characterization of new fluorescent proteins is expected to further extend their application. Here, we report the spectral and structural analysis of a red fluorescent protein from Acropora digitifera (designated AdRed). This protein shows a tetrameric state and is red emitting, with excitation and emission maxima at 567 and 612 nm, respectively. Its crystal structure shows the tetrameric interface stabilized by hydrogen bonding and salt bridges. The electron density map of the chromophore, consisting of Asp66–Tyr67–Gly68, shows the decarboxylated side chain of Asp66. Ser223, located near the chromophore, has the role of bridging His202 and Glu221, and is part of the hydrogen bond network. Mutated AdRed with Cys148Ser reveals a blue shift in fluorescence excitation and emission. Our results provide insights into understanding the molecular function of AdRed and other FPs.
Crystallographic evidence for two‐metal‐ion catalysis in human pol η
Authors: Wang Jimin , Smithline Zachary B.
Published: October 2018

Extensive evidence exists that DNA polymerases use two metal ions to catalyze the phosphoryl transfer reaction. Recently, competing evidence emerged, suggesting that a third metal ion, known as MnC, may be involved in catalysis. The binding of MnC was observed in crystal structures of the replication complexes of human polymerase (pol) η, pol β, and pol μ. Its occupancy (qMnC) in the pol η replication complexes exhibited a strong correlation with the occupancy of the formed product pyrophosphate (qPPi), i.e., qMnC ∝ qPPi. However, a key piece of information was missing that is needed to distinguish between two possible sequences of events: (i) the chemical reaction occurs first with only two meal ions, followed by the binding of MnC in a “catch‐the‐product” mode; and (ii) MnC binds first, followed by the chemical reaction with all three metal ions in a “push‐the‐reaction‐forward” mode. Both mechanisms can lead to a strong correlation between qMnC and qPPi. However, qMnC ≤ qPPi in the first scenario, whereas qMnC ≥ qPPi in the second. In this study, an analysis of crystallographic data published recently for pol η complexes shows that the formation of the product pyrophosphate definitely precedes the binding of MnC. Therefore, just like all other DNA polymerases, human pol η employs a two‐metal‐ion catalytic mechanism. Rather than help to catalyze the reaction, MnC stabilizes the formed product, which remains trapped inside the crystals, before it slowly diffuses out.
Solution NMR structure of CHU_1110 from Cytophaga hutchinsonii, an AHSA1 protein potentially involved in metal ion stress response
Authors: Liang Chunjie , Zhu Jiang , Ramelot Theresa A. , Kennedy Michael A. , Yue Xiali , Li Xuegang , Liu Maili , He Ting , Yang Yunhuang
Published: October 2018

We report the solution nuclear magnetic resonance (NMR) structure of CHU_1110 from Cytophaga hutchinsonii. CHU_1110 contains three α‐helices and one antiparallel β‐sheet, forming a large cavity in the center of the protein, which are consistent with the structural characteristics of AHSA1 protein family. This protein shows high structural similarities to the prokaryotic proteins RHE_CH02687 from Rhizobium etli and YndB from Bacillus subtilis, which can bind with flavinoids. Unlike these two homologs, CHU_1110 shows no obvious interaction with flavonoids in NMR titration experiments. In addition, no direct interaction has been observed between CHU_1110 and ATP, although many homologous sequences of CHU_1110 have been annotated as ATPase. Combining the analysis of structural similarity of CHU_1110 and genomic context of its encoding gene, we speculate that CHU_1110 may be involved in the stress response of bacteria to heavy metal ions, even though its specific biological functions that need to be further investigated.
Exploiting graphical processing units to enable quantum chemistry calculation of large solvated molecules with conductor‐like polarizable continuum models
Authors: Liu Fang , Sanchez David M. , Kulik Heather J. , Martínez Todd J.
Published: October 2018

The conductor‐like polarizable continuum model (C‐PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in quantum chemistry. We have previously implemented C‐PCM solvation for Hartree‐Fock (HF) and density functional theory (DFT) on graphical processing units (GPUs), enabling the quantum mechanical treatment of large solvated biomolecules. Here, we first propose a GPU‐based algorithm for the PCM conjugate gradient linear solver that greatly improves the performance for very large molecules. The overhead for PCM‐related evaluations now consumes less than 15% of the total runtime for DFT calculations on large molecules. Second, we demonstrate that our algorithms tailored for ground state C‐PCM are transferable to excited state properties. Using a single GPU, our method evaluates the analytic gradient of the linear response PCM time‐dependent density functional theory energy up to 80× faster than a conventional central processing unit (CPU)‐based implementation. In addition, our C‐PCM algorithms are transferable to other methods that require electrostatic potential (ESP) evaluations. For example, we achieve speed‐ups of up to 130× for restricted ESP‐based atomic charge evaluations, when compared to CPU‐based codes. We also summarize and compare the different PCM cavity discretization schemes used in some popular quantum chemistry packages as a reference for both users and developers.
Ab initio simulations of liquid electrolytes for energy conversion and storage
Authors: Pham Tuan Anh
Published: October 2018

Understanding physicochemical properties of liquid electrolytes is essential for predicting and optimizing device performance for a wide variety of emerging energy technologies, including photoelectrochemical water splitting, supercapacitors, and batteries. In this work, we review recent progress and open challenges in predicting structural, dynamical, and electronic properties of the liquids using first‐principles approaches. We briefly summarize the basic concepts of first‐principles molecular dynamics (FPMD), and we discuss how FPMD methods have enriched our understanding of a number of liquids, including aqueous solutions, organic electrolytes and ionic liquids. We also discuss technical challenges in extending FPMD simulations to the study of liquid electrolytes in more complex environments, including the interface between electrolytes and electrodes, which is a key component in many energy storage and conversion systems.
An update on enterovirus 71 infection and interferon type I response
Authors: Rasti Mojtaba , Khanbabaei Hashem , Teimoori Ali
Published: October 2018

Enteroviruses are members of Pichornaviridae family consisting of human enterovirus group A, B, C, and D as well as nonhuman enteroviruses. Hand, foot, and mouth disease (HFMD) is a serious disease which is usually seen in the Asia‐Pacific region in children. Enterovirus 71 and coxsackievirus A16 are two important viruses responsible for HFMD which are members of group A enterovirus. IFN α and β are two cytokines, which have a major activity in the innate immune system against viral infections. Most of the viruses have some weapons against these cytokines. EV71 has two main proteases called 2A and 3C, which are important for polyprotein processing and virus maturation. Several studies have indicated that they have a significant effect on different cellular pathways such as interferon production and signaling pathway. The aim of this study was to investigate the latest findings about the interaction of 2A and 3C protease of EV71 and IFN production/signaling pathway and their inhibitory effects on this pathway.