bluuebunny/crossref_metadata_2025_split huggingface dataset:
Massively parallel quantum chemical density matrix renormalization group method
Authors: Brabec Jiri , Brandejs Jan , Kowalski Karol , Xantheas Sotiris , Legeza Örs , Veis Libor 
Published: December 2020

AbstractWe present, to the best of our knowledge, the first attempt to exploit the super‐computer platform for quantum chemical density matrix renormalization group (QC‐DMRG) calculations. We have developed the parallel scheme based on the in‐house MPI global memory library, which combines operator and symmetry sector parallelisms, and tested its performance on three different molecules, all typical candidates for QC‐DMRG calculations. In case of the largest calculation, which is the nitrogenase FeMo cofactor cluster with the active space comprising 113 electrons in 76 orbitals and bond dimension equal to 6000, our parallel approach scales up to approximately 2000 CPU cores.
Conditional knockout of the PDK‐1 gene in osteoblasts affects osteoblast differentiation and bone formation
Authors: Bai Yiguang , Zhang Qiong , Chen Qiaoling , Zhou Quan , Zhang Yanan , Shi Zhuohua , Nong Haibin , Liu Mingfu , Zeng Gaofeng , Zong Shaohui 
Published: December 2020

AbstractOsteoblasts are the main functional cells of bone formation, and they are responsible for the synthesis, secretion, and mineralization of the bone matrix. Phosphatidylinositol‐3‐kinase/Akt is an important signaling pathway involved in the regulation of cell proliferation, death, and survival. Some studies have shown that 3‐phosphoinositide‐dependent protein kinase‐1 (PDK‐1) plays an important role in the phosphorylation of Akt. In the present study, an osteocalcin (OCN) promoter‐driven Cre‐LoxP system was established to specifically delete the PDK‐1 gene in osteoblasts. It was found that the size and weight of PDK‐1 conditional gene knockout (cKO) mice were significantly reduced. von Kossa staining and microcomputed tomography showed that the trabecular thickness, trabecular number, and bone volume were significantly decreased, whereas trabecular separation was increased, as compared with wide‐type littermates, which were characterized by a decreased bone mass. A model of distal femoral defect was established, and it was found that cKO mice delayed bone defect repair. In osteoblasts derived from PDK‐1 cKO mice, the alkaline phosphatase (ALP) secretion and ability of calcium mineralization were significantly decreased, and the expressions of osteoblast‐related proteins, runt‐related transcription factor 2, OCN, and ALP were also clearly decreased. Moreover, the phosphorylation level of Akt and downstream factor GSK3β and their response to insulin‐like growth factor‐1 (IGF‐1) decreased clearly. Therefore, we believe that PDK‐1 plays a very important role in osteoblast differentiation and bone formation by regulating the PDK‐1/Akt/GSK3β signaling pathway.
Part 1. Review and meta‐analysis of studies on modulation of longitudinal bone growth and growth plate activity: A macro‐scale perspective
Authors: D'Andrea Christian R. , Alfraihat Ausilah , Singh Anita , Anari Jason B. , Cahill Patrick J. , Schaer Thomas , Snyder Brian D. , Elliott Dawn , Balasubramanian Sriram 
Published: December 2020

AbstractGrowth modulation is an emerging method for treatment of angular skeletal deformities such as adolescent idiopathic scoliosis (AIS). The Hueter‐Volkmann law, by which growth is stimulated in tension and inhibited in compression, is widely understood, and applied in current growth‐modulating interventions such as anterior vertebral body tethering (AVBT) for AIS. However, without quantification of the growth rate effects of tension or compression, the possibility of under‐ or over‐ correction exists. A definitive mechanical growth modulation relationship relating to treatment of such skeletal deformities is yet to exist, and the mechanisms by which growth rate is regulated and altered are not fully defined. Review of current literature demonstrates that longitudinal (i.e., lengthwise) growth rate in multiple animal models depend on load magnitude, anatomical location, and species. Additionally, alterations in growth plate morphology and viability vary by loading parameters such as magnitude, frequency, and whether the load was applied persistently or intermittently. The aggregate findings of the reviewed studies will assist in work towards increasingly precise and clinically successful growth modulation methods. Part 1 of this review focuses on the effects of mechanical loading, species, age, and anatomical location on the macro‐scale alterations in longitudinal bone growth, as well as factors that affect growth plate material properties. Part 2 considers the effects on micro‐scale alterations in growth plate morphology such as zone heights and proportions, chondrocyte viability, and related gene and protein expression.
Perceptions of hospital pharmacists and pharmacy technicians towards expanding roles for hospital pharmacy technicians: a cross‐sectional survey
Authors: Anderson Brett J. , Carroll Margaret E. , Taylor Simone E. , Chow Alice 
Published: December 2020

AbstractBackgroundThe “Pharmacy Technician and Assistant Role Redesign within Australian Hospitals Project” outcomes were released in November 2016.AimTo assess pharmacy staff attitudes towards expanded hospital pharmacy technician (HPT) roles in a Victorian metropolitan teaching hospital.MethodAn electronic questionnaire circulated to all pharmacists, interns and HPTs remained open for 4 weeks during September 2018. Questions focused on three key domains: HPT involvement in final accuracy checking of inpatient supplies and manufactured items, drugs of addiction (DA) management and clinical support roles. The hospital's Office for Research deemed the study a quality improvement activity.ResultsThe questionnaire was undertaken by 61 of 122 (50%) pharmacy staff. Fewer than 10% of respondents believed that HPTs are adequately used in current practice. Final accuracy checking technicians for inpatient medication supplies was supported by 82% of respondents. HPTs signing entries into dispensary DA registers for discharge and outpatient prescriptions was supported by 81% of respondents. Best possible medication history taking conducted by an HPT was supported by 52% of respondents, but support differed between pharmacists and HPTs, with 38 and 92% supportive, respectively (p < 0.01). Forty percent of respondents supported HPT involvement in patient medication counselling. Key themes identified from qualitative data included: the need for clarification of legal and indemnity issues, training and credentialing and professional attributes for expanded HPT roles.ConclusionThese findings are informing HPT role expansion within the pharmacy department and have identified potential barriers to change. Such findings may be useful to pharmacy departments undertaking similar role redesign work.
A retrospective review examining intravenous iron infusion dosing methods
Authors: Winckel Karl , Sullivan Sara , Vongphakdi Mitt , Snoswell Centaine L. 
Published: December 2020

AbstractBackgroundCareful dosing of intravenous iron is important to minimise consequences of iron deficient anaemia, and avoid complications related to iron overload. Clinician practice regarding dosing varies between settings and specialities. Ganzoni dosing is an individualised calculated dose based on patient details and has traditionally been advocated for, while the fixed‐low dose method provides a method for individuals to receive a lower fixed dose of iron. At present, it is unclear if Ganzoni‐dosing compared with a fixed‐low dose provides greater haemoglobin improvements for iron‐deficient patients with reduced haemoglobin. The aim of this study is to explore whether the choice of intravenous iron dosing method influences improvements in the patient’s haemoglobin concentration.MethodA retrospective observational study using real‐world data was carried out to compare Ganzoni and fixed‐low dose patients using a cohort of 79 patients between 1 April 2017 and 25 February 2019. The primary outcome of interest was the change in haemoglobin concentration between baseline (within 0–28 days prior to intravenous iron infusion) and follow‐up (4–12 weeks following intravenous iron infusion).ResultsThe Ganzoni and fixed‐low dose methods indicated similar improvements in haemoglobin concentration (17 and 25 g/L, respectively), with no statistically significant differences identified between the two dosing methods for any other clinical indicators assessed.ConclusionThis study has indicated that the fixed‐low dose method may be an appropriate alternative to the Ganzoni dosing method for the dosing of iron polymaltose and ferric carboxymaltose for iron deficient patients with reduced haemoglobin.
Guidelines for Speech Recording and Acoustic Analyses in Dysarthrias of Movement Disorders
Authors: Rusz Jan , Tykalova Tereza , Ramig Lorraine O. , Tripoliti Elina 
Published: December 2020

ABSTRACTMost patients with movement disorders have speech impairments resulting from sensorimotor abnormalities that affect phonatory, articulatory, and prosodic speech subsystems. There is widespread cross‐discipline use of speech recordings for diagnostic and research purposes, despite which there are no specific guidelines for a standardized method. This review aims to combine the specific clinical presentations of patients with movement disorders, existing acoustic assessment protocols, and technological advances in capturing speech to provide a basis for future research in this field and to improve the consistency of clinical assessments. We considered 3 areas: the recording environment (room, seating, background noise), the recording process (instrumentation, vocal tasks, elicitation of speech samples), and the acoustic outcome data. Four vocal tasks, namely, sustained vowel, sequential and alternating motion rates, reading passage, and monologues, are integral aspects of motor speech assessment. Fourteen acoustic vocal speech features, including their hypothesized pathomechanisms with regard to typical occurrences in hypokinetic or hyperkinetic dysarthria, are hereby recommended for quantitative exploratory analysis. Using these acoustic features and experimental speech data, we demonstrated that the hyperkinetic dysarthria group had more affected speech dimensions compared with the healthy controls than had the hypokinetic speakers. Several contrasting speech patterns between both dysarthrias were also found. This article is the first attempt to provide initial recommendations for a standardized way of recording the voice and speech of patients with hypokinetic or hyperkinetic dysarthria; thus allowing clinicians and researchers to reliably collect, acoustically analyze, and compare vocal data across different centers and patient cohorts. © 2020 International Parkinson and Movement Disorder Society
Lactucopicrin Inhibits Cytoplasmic Dynein‐Mediated NF‐κB Activation in Inflammated Macrophages and Alleviates Atherogenesis in Apolipoprotein E‐Deficient Mice
Authors: He Luanying , Weng Hui , Li Qing , Shi Guojun , Liu Xiuping , Du Yushi , Zheng Jiakun , Ling Wenhua , Wang Dongliang 
Published: December 2020

ScopeNuclear factor‐κB (NF‐κB) activation in macrophages aggravates atherosclerosis. Dietary plant secondary metabolites including sesquiterpene lactone lactucopicrin target multiple organs. This study is focused on the impact of lactucopicrin on NF‐κB activation in inflammed macrophages and atherogenesis in a mouse model of atherosclerosis.Methods and ResultsIn LPS‐stimulated mouse bone marrow‐derived macrophages, lactucopicrin inhibits NF‐κB activation, and concomitantly represses the expression of IL‐1β, IL‐6, and tumor necrosis factor‐alpha. This effect is not due to modulation of the inhibitor of NF‐κB kinases (IKK) α/β/γ and NF‐κB inhibitor α, and NF‐κB/p65 DNA binding activity. Instead, the lactucopicrin effect is reliant on the inhibition of cytoplasmic dynein‐mediated p65 transportation, a prerequisite step for p65 nuclear translocation. In high‐fat diet‐fed apolipoprotein E‐deficient mice, lactucopicrin consumption dose‐dependently reduces plaque area, inhibits plaque macrophage accumulation, attenuates plaque macrophage NF‐κB activation, and reduces both plaque and serum inflammatory burden. However, lactucopicrin consumption does not affect the levels of serum lipids and anti‐inflammatory cytokines (IL‐4, IL‐10, and transforming growth factor beta).ConclusionDietary lactucopicrin inhibits atherogenesis in mice likely by its anti‐inflammatory property. These findings suggest that dietary supplementation with lactucopicrin is a promising strategy to inhibit atherosclerotic cardiovascular disease.
Preoperative Fasting Abbreviation With Whey Protein Reduces the Occurrence of Postoperative Complications in Patients With Head and Neck Cancer: A Randomized Clinical Trial
Authors: de Carvalho Celina Soares , Silva Thiago Huaytalla , André Julio Cezar Sillos , de Barros Larissa Alves Soares , Ferreira Aline Alves , Murad Leonardo Borges , Peres Wilza Arantes Ferreira 
Published: December 2020

BackgroundSurgery has become the treatment of choice for head and neck cancer (HNC) in most cases. Preoperative fasting abbreviation and nutrition screening have been suggested to reduce the occurrence of postoperative complications. This study aimed to evaluate the addition of whey protein in the preoperative fasting abbreviation and to analyze the association of nutrition status on postoperative complications in patients with HNC.MethodsA randomized, single‐blind clinical trial was performed. Patients recruited from March to November 2018 at a national cancer reference center in Brazil were divided into 2 groups: intervention group (clear fluids with carbohydrate plus whey protein [CHO‐P]) and control group (clear fluids with carbohydrate only [CHO]). All patients were evaluated by the Patient‐Generated Subjective Global Assessment (PG‐SGA) and body mass index. Logistic regression analyses were performed to assess associations between the studied variables, generating odds ratios (ORs) and 95% confidence intervals (CIs).ResultsA total of 49 patients met the eligibility criteria and enrolled in the study. A PG‐SGA score of 4–8, indicating moderate malnutrition (OR, 10.91; 95% CI, 1.05–112.91), was an independent factor that increased the risk of postoperative complication, whereas the CHO‐P group (OR, 0.04; 95% CI, 0.01–0.26) was found to be an independent factor in reducing such risk.ConclusionThe addition of whey protein to clear fluids (CHO‐P group) was associated with a reduced risk of postoperative complications compared with the CHO group. Furthermore, moderate malnourishment was associated with an increased risk of postoperative complications for patients with HNC.
Bedside shift report: Nurses opinions based on their experiences
Authors: Jimmerson Joseph , Wright Patricia , Cowan Patricia A. , King‐Jones Tammy , Beverly Claudia J. , Curran Geoffrey 
Published: December 2020

AbstractBackgroundNurse bedside shift report (BSR) improves satisfaction, quality and safety. Yet, postimplementation adoption rates remain low in hospitals where BSR has been introduced. Further research is needed to understand what content is most appropriate to discuss during BSR and what facilitators are from the clinical nurses' perspective.AimsIdentify and describe acute care clinical nurses' and nursing supervisors' experiences and opinions regarding: process of BSR, appropriate content for BSR and barriers and facilitators related to implementation of BSR.DesignA phenomenological qualitative study was conducted at an acute care 500 bed, not‐for‐profit academic medical centre located in the southern United States.MethodsClinical nurses (N = 22) and nursing supervisors (N = 12) from every inpatient division were recruited and interviewed. The data were analysed for relationships, similarities and differences. Themes were then identified by two independent researchers.ResultsFive themes were identified: (a) time constraints and clinical nurse's workflow must be taken into consideration; (b) a modified approach is necessary; (c) process and specific critical content should be individualized so that it is meaningful for all parties involved; (d) specific critical content that should be discussed outside the patient's room; and (e) specific critical content that should be discussed inside the patient's room.ConclusionsOne way to minimize interruptions is to conduct BSR using a modified approach, where a portion of the hand‐off occurs inside and outside the patient's room. In addition, this study identified the nurses' preferred location where specific critical topics should be discussed.Relevance to clinical practiceResults from this study should be used to inform the practice BSR so the desired outcomes of patient and family satisfaction, nursing quality and patient safety can be realized. This study should influence future research aimed at identifying strategies for successful implementation and sustained use of BSR. The COREQ checklist was used to write manuscript.
Novel blended poly(sulfide sulfone)/poly(ether sulfone) dense membranes for water treatment
Authors: Babanzadeh Samal , Mehdipour‐Ataei Shahram , Khodami Samaneh 
Published: December 2020

AbstractIn this research, a novel aromatic poly(sulfide sulfone) (PPY) containing pyridine and sulfide groups is synthesized by polycondensation reactions of a new diol(diol‐PY) with bis(4‐fluorophenyl) sulfone. Also a poly(ether sulfone) (PBM) is prepared through reaction of 4,4′‐(1,3‐phenylenediisopropylidene) bisphenol(bisphenol M) with bis(4‐fluorophenyl) sulfone similarly. The chemical structure of diol‐PY and polymers is identified by spectroscopic techniques. PBM/PPY blending dense membranes with composition of 100/0, 75/25, and 50/50 wt% are developed via phase inversion induced method by solvent evaporation. The prepared dense membranes are specified by water contact angle, water absorption, scanning electron microscope (SEM), atomic force microscope (AFM), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and tensile strength. Pure water flux, hydraulic water permeability, and salt permeability are applied to evaluate the process performance of the membrane. According to SEM and DSC results, good miscibility of two polymers is concluded. Thermal stability of PBM/PPY blend membranes enhance compared with PBM membrane. Water contact angle and water absorption evaluation indicate that the hydrophilicity of PBM membrane improve by incorporating of PPY in the casting polymer solution. The similar result is observed for pure water flux and hydraulic water permeability of the synthesized dense membranes.
Designing innovative solutions for solar‐powered electric mobility applications
Authors: Sierra Alonzo , Reinders Angèle 
Published: December 2020

AbstractDesigning with photovoltaics (PV) is the core focus of this paper which presents the results of a design study on conceptual PV applications for electric mobility systems. This is a relevant direction for new product development because PV technology can contribute to improved features of electric mobility systems not just in terms of CO2emissions reduction but also regarding product aesthetics and user experiences. Design studies are multidisciplinary by nature; therefore, in this case technical, user, regulatory and aesthetic aspects are covered. Eleven conceptual designs were developed in 2019 by means of a design project executed at the University of Twente, encompassing solutions for PV‐powered charging of electric vehicles, vehicle‐integrated PV products and other applications. The concepts focus on various modes of transport beyond passenger cars such as public transportation, electric bicycles and utility vehicles, in some cases applying alternative charging technologies such as battery swapping and induction charging in their design. In this paper four of these conceptual designs are presented as case studies, showing their multidisciplinary focus as well as parts of the design process behind their development. An evaluation of these conceptual designs revealed several design challenges that need to be addressed in their development, including the limited space available for integrating PV cells, the technical limitations posed by some of the proposed charging methods and the effective visual communication of the concept's intended function.
PhyloGenes: An online phylogenetics and functional genomics resource for plant gene function inference
Authors: Zhang Peifen , Berardini Tanya Z. , Ebert Dustin , Li Qian , Mi Huaiyu , Muruganujan Anushya , Prithvi Trilok , Reiser Leonore , Sawant Swapnil , Thomas Paul D. , Huala Eva 
Published: December 2020

AbstractWe aim to enable the accurate and efficient transfer of knowledge about gene function gained from Arabidopsis thaliana and other model organisms to other plant species. This knowledge transfer is frequently challenging in plants due to duplications of individual genes and whole genomes in plant lineages. Such duplications result in complex evolutionary relationships between related genes, which may have similar sequences but highly divergent functions. In such cases, functional inference requires more than a simple sequence similarity calculation. We have developed an online resource, PhyloGenes (phylogenes.org), that displays precomputed phylogenetic trees for plant gene families along with experimentally validated function information for individual genes within the families. A total of 40 plant genomes and 10 non‐plant model organisms are represented in over 8,000 gene families. Evolutionary events such as speciation and duplication are clearly labeled on gene trees to distinguish orthologs from paralogs. Nearly 6,000 families have at least one member with an experimentally supported annotation to a Gene Ontology (GO) molecular function or biological process term. By displaying experimentally validated gene functions associated to individual genes within a tree, PhyloGenes enables functional inference for genes of uncharacterized function, based on their evolutionary relationships to experimentally studied genes, in a visually traceable manner. For the many families containing genes that have evolved to perform different functions, PhyloGenes facilitates the use of evolutionary history to determine the most likely function of genes that have not been experimentally characterized. Future work will enrich the resource by incorporating additional gene function datasets such as plant gene expression atlas data.
A novel Deal–Grove‐inspired model for fluorine‐based plasma jet etching of borosilicate crown optical glass
Authors: Kazemi Faezeh , Boehm Georg , Arnold Thomas 
Published: December 2020

AbstractThe Deal–Grove model is a state‐of‐the‐art approach proposed for describing the thermal oxidation of silicon and the oxide thickness over time. In this study, the Deal–Grove concept provided the inspiration for a mathematical model for simulating plasma jet‐based dry etching process of borosilicate crown glass (N‐BK7®). The whole process is contained in two so‐called Deal–Grove parameters, which are extracted from experimental data including local etching depth and surface temperature distribution. The proposed model is extended for the evolution of dynamic etch profiles, and the obtained results are validated experimentally. By establishing such a model, it is possible to predict the effect of the residual layer and surface temperature on the evolution of local etching depths over dwell time.