bluuebunny/crossref_metadata_2025_split huggingface dataset:
ET‐score: Improving Protein‐ligand Binding Affinity Prediction Based on Distance‐weighted Interatomic Contact Features Using Extremely Randomized Trees Algorithm
Authors: Rayka Milad , Karimi‐Jafari Mohammad Hossein , Firouzi Rohoullah 
Published: May 2021

AbstractThe molecular docking simulation is a key computational tool in modern drug discovery research that its predictive performance strongly depends on the employed scoring functions. Many recent studies have shown that the application of machine learning algorithms in the development of scoring functions has led to a significant improvement in docking performance. In this work, we introduce a new machine learning (ML) based scoring function called ET‐Score, which employs the distance‐weighted interatomic contacts between atom type pairs of the ligand and the protein for featurizing protein−ligand complexes and Extremely Randomized Trees algorithm for the training process. The performance of ET‐Score is compared with some successful ML‐based scoring functions and several popular classical scoring functions on the PDBbind 2016v core set. It is shown that our ET‐Score model (with Pearson's correlation of 0.827 and RMSE of 1.332) achieves very good performance in comparison with most of the ML‐based scoring functions and all classical scoring functions despite its extremely low computational cost. ET‐Score's codes are freely available on the web at https://github.com/miladrayka/ET_Score.
A wideband high gain trapezoidal monopole antenna backed by frequency selective surface
Authors: Nguyen Duc Dung , Seo Chulhun 
Published: May 2021

AbstractIn this paper, a wideband, high gain planar trapezoidal monopole antenna based on single‐layer frequency selective surface (FSS) is presented. The antenna adopts an unconventional, dual‐metallic on a single‐layer FSS structure as a reflector layer to improve its performance. To validate the structure, the prototypes are fabricated and measured. The experimental results exhibit that the operating band of the proposed antenna covers 3.52–5.92 GHz, which corresponding to the impedance bandwidth of 50% with respect to the 5 GHz is the center frequency. Moreover, the proposed antenna offers a high gain with the maximum gain of 11.8 dBi at 5.1 GHz, and the gain is sustained higher 10.5 dBi for the entire bandwidth. The proposed antenna structure is a potential candidate for wideband applications and wireless local area network applications.
Context, design and conduct of the longitudinal COVID‐19 psychological research consortium study–wave 3
Authors: McBride Orla , Butter Sarah , Murphy Jamie , Shevlin Mark , Hartman Todd K. , Hyland Philip , McKay Ryan , Bennett Kate M. , Gibson‐Miller Jilly , Levita Liat , Mason Liam , Martinez Anton P. , Stocks Thomas VA , Vallières Frédérique , Karatzias Thanos , Valiente Carmen , Vazquez Carmelo , Bentall Richard P. 
Published: May 2021

AbstractObjectivesThe COVID‐19 Psychological Research Consortium (C19PRC) Study aims to assess the impact of the COVID‐19 pandemic in the adult population in multiple countries. This paper describes the third wave of the UK survey (the ‘parent’ strand of the Consortium) during July‐August 2020.MethodsAdults (N = 2025) who participated in the baseline and/or first follow‐up surveys were reinvited to participate in this survey, which assessed: (1) COVID‐19 related knowledge, attitudes, and behaviours; (2) the occurrence of common mental disorders; as well as the role of (3) psychological factors and (4) social and political attitudes, in influencing the public’s response to the pandemic. Weights were calculated using a survey raking algorithm to ensure that the cross‐sectional sample is nationally representative in terms of gender, age, and household income, and representative of the baseline sample characteristics for household composition, ethnicity, urbanicity and born/raised in UK.Results1166 adults (57.6% of baseline participants) provided full interviews at Wave 3. The raking procedure successfully re‐balanced the cross‐sectional sample to within 1% of population estimates across selected socio‐demographic characteristics.ConclusionThis paper demonstrates the strength of the C19PRC Study data to facilitate and stimulate interdisciplinary research addressing important public health questions relating to the COVID‐19 pandemic.
High‐contrast osteochondral junction imaging using a 3D dual adiabatic inversion recovery‐prepared ultrashort echo time cones sequence
Authors: Lombardi Alecio F. , Jang Hyungseok , Wei Zhao , Jerban Saeed , Wallace Mark , Masuda Koichi , Ma Ya‐Jun 
Published: May 2021

AbstractWhile conventional MRI sequences cannot visualize tissues from the osteochondral junction (OCJ) due to these tissues' short transverse T2/T2* relaxations, ultrashort echo time (UTE) sequences can overcome this limitation. A 2D UTE sequence with a dual adiabatic inversion recovery preparation (DIR‐UTE) for selective imaging of short T2 tissues with high contrast has previously been developed, but high sensitivity to eddy currents and aliased out‐of‐slice excitation make it difficult to image the thin layer of the OCJ in vivo. Here, we combine the DIR scheme with a 3D UTE cones sequence for volumetric imaging of OCJ tissues in vivo, aiming to generate higher OCJ contrast compared with a recently developed single IR‐prepared UTE sequence with a fat saturation module (IR‐FS‐UTE). All sequences were implemented on a 3‐T clinical scanner. The DIR‐UTE cones sequence combined a 3D UTE cones sequence with two narrow‐band adiabatic IR preparation pulses centered on water and fat spectrum frequencies, respectively. The 3D DIR‐UTE cones sequence was first applied to a phantom, then to the knees of four healthy volunteers and four patients diagnosed with osteoarthritis and compared with the IR‐FS‐UTE sequence. In both phantom and volunteer studies, the proposed DIR‐UTE cones sequence showed much higher contrast for OCJ imaging than the IR‐FS‐UTE sequence did. The 3D DIR‐UTE cones sequence showed a significantly higher contrast‐to‐noise ratio between the OCJ and subchondral bone fat (mean, standard deviation [SD]: 25.7 ± 2.3) and between the OCJ and superficial layers of cartilage (mean, SD: 22.2 ± 3.5) compared with the IR‐FS‐UTE sequence (mean, SD: 10.8 ± 2.5 and 16.3 ± 2.6, respectively). The 3D DIR‐UTE cones sequence is feasible for imaging of the OCJ region of the knee in vivo and produces both high resolution and high contrast.
Development of a Competency Model for Placement and Verification of Nasogastric and Nasoenteric Feeding Tubes for Adult Hospitalized Patients
Authors: Powers Jan , Brown Britta , Lyman Beth , Escuro Arlene A. , Linford Lorraine , Gorsuch Kim , Mogensen Kris M. , Engelbrecht Jessica , Chaney Amanda , McGinnis Carol , Quatrara Beth A. , Leonard Jennifer , Guenter Peggi 
Published: May 2021

AbstractNasogastric/nasoenteric (NG/NE) feeding tube placements are associated with adverse events and, without proper training, can lead to devastating and significant patient harm related to misplacement. Safe feeding tube placement practices and verification are critical. There are many procedures and techniques for placement and verification; this paper provides an overview and update of techniques to guide practitioners in making clinical decisions. Regardless of placement technique and verification practices employed, it is essential that training and competency are maintained and documented for all clinicians placing NG/NE feeding tubes. This paper has been approved by the American Society for Parenteral and Enteral Nutrition (ASPEN) Board of Directors.
Implementation Science and Nutrition: From Research to Practice
Authors: Brown Michelle , Rosenthal Martin , Yeh D. Dante 
Published: May 2021

AbstractImplementation science (IS) is a young field that seeks to minimize the gap between what we know and what we practice, otherwise known as the “know‐do gap.” Recently, IS has focused on research that expedites the dissemination of evidence‐based knowledge, accelerates the translation of interventions to improve knowledge gaps, shrinks healthcare disparities, enhances care of complex medical conditions, and narrows variation in clinical practice and policy. This article seeks to review theoretical frameworks of IS and demonstrate how IS can be utilized to improve nutrition care. Specific examples in this article include implementation of initiatives to improve documentation of malnutrition, increase provision of oral nutrition supplements, increase use of Enhanced Recovery After Surgery protocols, and increase energy and protein delivery. Clinical nutrition is a growing field with more and more research findings pointing to new therapies. In implementing these new therapies, practitioners should recognize the complex system present in healthcare and lean on IS findings to speed implementation and more rapidly improve clinical outcomes.
Current trends in global nursing: A scoping review
Authors: Yatsu Hiroko , Saeki Akari 
Published: May 2021

AbstractAimThis review aimed to elucidate research trends in global nursing in international literature.DesignA scoping literature review of the PRISMA was used to guide the review.MethodsPubMed was used to search for English articles published in academic journals between 2016–2018. The search keywords were “global/international/world nursing.” We used thematic synthesis to analyse and interpret the data and generated topics for global nursing literature.ResultsIn total, 133 articles were analysed. Six topics emerged: (a) conceptualization of global nursing, (b) environmental health, (c) infectious diseases, (d) security efforts, (e) global shortage of nursing personnel and (f) diversification of study abroad programmes. The results of this review reflect today's serious international health, labour and global environmental issues. Based on these latest global nursing topics, it is necessary to develop new strategies, nursing models and environment‐related theories to create and maintain a healthy environment.
Homologous Recombination Deficiency: Cancer Predispositions and Treatment Implications
Authors: Toh MingRen , Ngeow Joanne 
Published: May 2021

Abstract

Homologous recombination (HR) is a highly accurate DNA repair mechanism. Several HR genes are established cancer susceptibility genes with clinically actionable pathogenic variants (PVs). Classically, BRCA1 and BRCA2 germline PVs are associated with significant breast and ovarian cancer risks. Patients with BRCA1 or BRCA2 PVs display worse clinical outcomes but respond better to platinum-based chemotherapies and poly-ADP ribose polymerase inhibitors, a trait termed “BRCAness.” With the advent of whole-exome sequencing and multigene panels, PVs in other HR genes are increasingly identified among familial cancers. As such, several genes such as PALB2 are reclassified as cancer predisposition genes. But evidence for cancer risks remains unclear for many others. In this review, we will discuss cancer predispositions and treatment implications beyond BRCA1 and BRCA2, with a focus on 24 HR genes: 53BP1, ATM, ATR, ATRIP, BARD1, BLM, BRIP1, DMC1, MRE11A, NBN, PALB2, RAD50, RAD51, RAD51B, RAD51C, RAD51D, RIF1, RMI1, RMI2, RPA1, TOP3A, TOPBP1, XRCC2, and XRCC3.

Implications for Practice
This review provides a comprehensive reference for readers to quickly identify potential cancer predisposing homologous recombination (HR) genes, and to generate research questions for genes with inconclusive evidence. This review also evaluates the “BRCAness” of each HR member. Clinicians can refer to these discussions to identify potential candidates for future clinical trials.
Pilot evaluation of obesity‐specific health‐related quality of life following a 12‐week non‐randomized lifestyle intervention in youth
Authors: Randhawa Sukhbir , Randhawa Navkiran , Hassanin Es‐Haq , Yi‐Frazier Joyce P. , Briggs Early Kathaleen 
Published: May 2021

AbstractBackgroundHealth‐related quality of life (HRQOL), a multifaceted construct for understanding health and healthcare outcomes, is comprised of eight domains of well‐being and functioning over time and has become an essential factor in assessing outcomes for youth with obesity.AimsTo evaluate the effect of a community based, lifestyle intervention, on obesity‐specific HRQOL using the Sizing Me Up (SMU) in this group of Latino and White youth.Materials and MethodsFor this 12‐week family and community‐based intervention (ACT; Actively Changing Together), HRQOL was measured before and after the intervention concluded using the obesity‐specific HRQOL tool, SMU. This study enrolled 68 youth (10.9 ± 2 years; 54% male; 50% non‐Hispanic white). Paired t‐tests were used to examine the Sizing Me Up sub‐scales: Emotion, Physical, Social Avoidance, Positive Attributes, Teasing, and the total score. A greater change score indicated a larger increase in quality of life sub‐scale.ResultsSignificant improvements from baseline to follow‐up were found in the total SMU (mean change = 5.27, SD 10.76, p = 0.00) and for the sub‐scores of: emotion (mean change = 8.06, SD 16.85, p ≤ 0.00), teasing (mean change = 5.65, SD 16.79, p = 0.01), and social avoidance (mean change = 3.92, SD 11.21, p = 0.01).ConclusionsSizing Me Up provided a clinically meaningful tool for this research study to evaluate obesity‐specific HRQOL among Hispanic and non‐Hispanic White youth with obesity.
Treatment abandonment and refusal among children with central nervous system tumors in Jordan
Authors: Amayiri Nisreen , Bouffet Eric 
Published: May 2021

AbstractBackgroundTreatment abandonment and refusal are reported to contribute significantly to poor survival of children with cancer in low‐ and middle‐income countries. We aimed to assess this phenomenon among children diagnosed with central nervous system (CNS) tumors in Jordan.MethodsWe retrospectively reviewed the medical charts of children <18 years diagnosed with CNS tumors (2010–2020). Patients who abandoned or refused part of treatment were reviewed for their clinical characteristics, social circumstances, and possible reasons. We excluded patients referred for second opinion, radiotherapy only, or who traveled abroad for treatment.ResultsFour hundred seventy‐three Jordanian children were identified; 12 families (2.5%) abandoned treatment, and 15 refused part of therapy (3%). Most patients were females (67%) and most had good or moderate performance status (89%). Most families (93%) lived within 2 hours from King Hussein Cancer Center. Most parents were university graduates (71%) and all fathers were employed, while 71% of mothers were housewives. The most common reasons to abandon or refuse therapy were treatment intensity in view of poor tumor outcome or bad quality of life, conflicting recommendations from other health care providers, “personal beliefs” against chemotherapy, and preference to use alternative medicine.ConclusionsTreatment abandonment and refusal in Jordanian children with CNS tumors is low. Universal cancer insurance, high level of education in the country, centralized cancer care in one institution, and the twinning program likely contributed to our low incidence. Improving knowledge on CNS tumors and better community rehabilitation and supportive services may help further decrease the abandonment and treatment refusal rate.
Naxitamab combined with granulocyte‐macrophage colony‐stimulating factor as consolidation for high‐risk neuroblastoma patients in complete remission
Authors: Mora Jaume , Castañeda Alicia , Gorostegui Maite , Santa‐María Vicente , Garraus Moira , Muñoz Juan Pablo , Varo Amalia , Perez‐Jaume Sara , Mañe Salvador 
Published: May 2021

AbstractBackgroundNaxitamab is a humanized anti‐disialoganglioside (GD2) monoclonal antibody approved for treatment of bone/bone marrow refractory high‐risk neuroblastoma (HR‐NB). Compassionate use (CU) expanded access program at Hospital Sant Joan de Deu permitted treatment of patients in complete remission (CR). We here report the survival, toxicity, and relapse pattern of patients in first or second CR treated with naxitamab and sargramostim (GM‐CSF).ProcedureSeventy‐three consecutive patients with HR‐NB (stage M at age >18 months or MYCN‐amplified stages L1/L2 at any age) were treated in first or second CR. Treatment comprised five cycles of subcutaneous (SC) GM‐CSF for 5 days at 250 μg/m2/day (days −4 to 0), followed by naxitamab + SC GM‐CSF for 5 days at 500 μg/m2/day (days 1–5). Naxitamab was infused over 30 minutes at 3 mg/kg/day, days 1, 3, and 5, outpatient.ResultsFifty‐five patients were in first CR and 18 in second CR. Seventeen patients had MYCN‐amplified NB and 11 detectable minimal residual disease in the bone marrow. Fifty‐eight (79.5%) patients completed therapy. Four (5%) experienced grade 4 toxicities and 10 (14%) early relapse. Three‐year event‐free survival (EFS) 58.4%, 95% CI = (43.5%, 78.4%) and overall survival (OS) 82.4%, 95% CI = (66.8%, 100%). First CR patients 3‐year EFS 74.3%, 95% CI = (62.7%, 88.1%), and OS 91.6%, 95% CI = (82.4%, 100%). EFS is significantly different between first and second CR (p = .0029). The pattern of relapse is predominantly (75%) of an isolated organ, mainly bone (54%). Univariate Cox models show prior history of relapse as the only statistically significant predictor of EFS but not OS.ConclusionsConsolidation with naxitamab and GM‐CSF resulted in excellent survival rates for HR‐NB patients in CR.
Effect of using multiwall carbon nanotube reinforced epoxy adhesive in enhancing glass fiber reinforced polymer composite through cocure manufacturing technique
Authors: Dhilipkumar Thulasidhas , Rajesh Murugan 
Published: May 2021

AbstractThe high‐performance epoxy‐based cocure manufacturing technique has been used to join composite structures such as wings, frames, and ribs in aerospace applications. The present study aims to examine the influence of multiwall carbon nanotubes (MWCNTs) addition on mechanical and free vibrational behavior of glass fiber reinforced polymer composites fabricated through cocure manufacture technique. The experimental results revealed that the addition of 1 wt.% of MWCNTs enriched the tensile and flexural properties of cocured composites by 27.8% (344 Mpa) and 26.16% (379.12 Mpa), respectively. Shear analysis depicted that 0.25 wt.% MWCNT reinforcement significantly enhanced the shear strength of cocured lap joints by 63.8% (16.79 MPa). The scanning electron microscopy and atomic force microscopy indicated that homogenous dispersion of MWCNTs enriched the interfacial bonding, deviated the crack path, and formed uneven surfaces. A comparison between the failure mode of neat and modified adhesive demonstrated the effective presence of MWCNTs in changing the adhesive failure mode of cocured composite to cohesive. Thus, it enhanced the failure strength of cocured composites. The experimental free vibrational analysis affirmed that addition of 1 wt.% MWCNTs enhanced the fundamental natural frequency whereas, lower wt.% MWCNT addition increased the cocured composites' inherent damping due to higher‐level formation of agglomeration area in the composite. Thus, it increased the stress level and minimized the bonding between fiber and matrix.
Chemical characterisation of Pelargonium sidoides root based on LC‐QToF‐MS non‐target screening strategies
Authors: Panara Anthi , Aalizadeh Reza , Thomaidis Nikolaos S. 
Published: May 2021

AbstractIntroductionPelargonium sidoides is a member of the Geraniaceae family and it originates from the coastal regions of South Africa. In the last decades, Pelargonium sidoides root has been subjected to several surveys due to the assertion of its health benefits, such as the relief of symptoms of acute bronchitis, common cold and acute rhinosinusitis. Many studies have been conducted to reveal its naturally occurring bioactive chemicals, yet no wide‐scope chemical characterisation strategies have been done using mass spectrometry.ObjectiveThis research aimed to comprehensively characterise the chemical profile of Pelargonium sidoides root via high‐resolution mass spectrometry.MethodologyThe Pelargonium sidoides root was extracted by a mixture of methanol: water in the proportion of 80:20. The extraction procedure included vortexing, shaking as well as the use of an ultrasound sonication bath under 40°C. After centrifugation, the supernatant was evaporated to dryness. The dry residue was reconstituted with a mixture of methanol/water (50:50, v/v), filtered and injected into an ultra‐high‐pressure liquid chromatography‐quadruple time‐of‐flight mass spectrometer.ResultsOverall, 33 compounds were identified in the root using suspect and non‐target screening. These compounds were originated from different classes of compounds such as amino acids, phenolic acids, α‐hydroxy‐acids, vitamins, polyphenols, flavonoids, coumarins, coumarins glucosides, coumarin sulphates and nucleotides. Quantitative results were provided for the identified compounds, where their reference standards were available.ConclusionSome important compounds were elucidated, belonging to different classes of compounds such as antioxidants (coumarins and phenolic compounds), amino acids, nucleotides and vitamins revealing the importance of the bioactive content of this root.
Thermal processing of a degradable carboxylic acid‐functionalized polycarbonate into scaffolds for tissue engineering
Authors: Murthy N. Sanjeeva , Shultz Robert B. , Iovine Carmine P. , Kohn Joachim 
Published: May 2021

AbstractDegradable polymers are often desirable for the fabrication of medical implants, but thermal processing of these polymers is a challenge. We describe here how these problems can be addressed by discussing the extrusion of fibers and injection molding of bone pins from a hydrolytically degradable tyrosine‐derived polycarbonate. Our initial attempts produced fibers and pins with bubbles, voids, and discoloration and resulted in the formation of large polymer plugs that seized screws and blocked extruder dies. The material and process parameters that contribute to these issues were investigated by studying the physical and chemical changes that occur during processing. Differential scanning calorimetry and thermogravimetric analysis combined with IR analysis showed that residual moisture and solvents in conjunction with heat cause degradation and crosslinking as indicated by gel permeation chromatography. Rheology and melt flow index measurements were useful in characterizing the extent of dependence of polymer viscosity on temperature and molecular weight. With these insights, we could process our polymer into fibers and rods by controlling residual moisture, time, and temperature and by adjusting processing parameters in real time. The systematic approach described here is applicable to other degradable polymers that are difficult to process.