bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of imide‐based methacrylic monomers and their copolymerization with methyl methacrylate: monomer reactivity ratios and heat resistance properties
Authors: Ko Kun‐Young , Baek Seung‐Suk , Hwang Seok‐Ho 
Published: March 2018

ABSTRACTThe newly designed methacrylic monomer series 4‐phthalimidocyclohexyl methacrylate (PCMA), 4‐hexahydrophthalimidocyclohexyl methacrylate (HPCMA) and 4‐hexahydro‐3,6‐methanophthalimidocyclohexyl methacrylate (HMPCMA) were synthesized. Their homopolymers and methyl methacrylate (MMA) based copolymer series were polymerized by free‐radical polymerization. The copolymer compositions were characterized using 1H NMR spectra. The monomer reactivity ratios were calculated employing the Fineman−Ross (F‐T) and Kelen−Tüdös (K‐T) methods at low conversion. The values of r1 and r2 obtained by the F‐T and K‐T methods appear to be in close agreement (their average values are r1 = 1.3061 and r2 = 0.7336 for poly(PCMA‐co‐MMA), r1 = 1.5169 and r2 = 0.6840 for poly(HPCMA‐co‐MMA), r1 = 1.7748 and r2 = 0.5664 for poly(HMPCMA‐co‐MMA)) . The thermal stabilities and thermomechanical characteristics of the homopolymer and copolymer series were investigated by differential scanning calorimetry, thermogravimetric analysis and dynamic mechanical thermal analysis. © 2018 Society of Chemical Industry
Demonstration of NC(sp2)‐centered stereofluctuations in a guanidine derivative and its cation
Authors: Knorr Rudolf , Böhrer Petra 
Published: March 2018

AbstractNMR line shapes and coalescences of pairs of diastereotopic reporter nuclei (1H and 13C) at suitable molecular positions were used to measure the stereofluctuation rate constants of an N‐aryl cycloguanidine model compound of the type aryl—N═C[N(CH3)CH2]2 (7 in Scheme ) in toluene and in CDCl3 as the solvents. The key criterion is coincidence or noncoincidence of the rate constants, which revealed that both free N═C double‐bond rotation and free N—aryl single‐bond rotation occur much more slowly than in‐plane, lone‐electron pair inversion at nitrogen, which is fast even at −99°C. The related cycloguanidinium model compound (6 in Scheme ) cannot perform such an N‐inversion but simulates it at roughly 35°C in CDCl3 and in Cl2CD—CDCl2 through a less rapid N═C half‐rotation that is coupled with a correlated, counter‐sense N—aryl half‐rotation, whereas both free N═C double‐bond rotation and free N—aryl rotation are again significantly slower.
Cu(II)‐catalyzed hydrolysis of tris‐2‐pyridyl phosphate assisted by sodium dodecyl sulfate micelles
Authors: Wanderlind Eduardo H. , Bittencourt Catiunaiara R. , Manfredi Alex M. , Gerola Adriana P. , Souza Bruno S. , Fiedler Haidi D. , Nome Faruk 
Published: March 2018

AbstractHydrolysis of the phosphate triester tris‐2‐pyridyl phosphate is catalyzed upon complexation with Cu2+, with enhancements of the order of 107‐fold in comparison to the spontaneous hydrolysis of the substrate. Experimental and theoretical results suggest that Cu2+ most probably coordinates to the nitrogen atoms of two of the pyridyl substituents disposing a metallo‐bound water or hydroxo ligand at appropriate distance for intramolecular attack on phosphorus. Micelles of the anionic sodium dodecyl sulfate remarkably accelerate the reactions, acting as nanoreactors that concentrate in the micellar microenvironment both the hydrophobic substrate and the positively charged metal ion, favoring complexation between tris‐2‐pyridyl phosphate and Cu2+.
Salicylaldimine‐functionalized poly(m‐phenyleneethynylene) as turn‐on chemosensor for ferric ion
Authors: Thavornsin Nopparat , Rashatasakhon Paitoon , Sukwattanasinitt Mongkol , Wacharasindhu Sumrit 
Published: March 2018

ABSTRACTA new turn on fluorescent probe for ferric ion based on poly(m‐phenyleneethynylene salicylaldimine) (PPE‐IM) has been developed. The preparation ofPPE‐IMinvolves post‐polymerization functionalization of the corresponding polymeric amine,PPE‐AM, via the condensation with salicylaldehyde. The degree of polymerization of bothPPE‐IMandPPE‐IMis 17 with polydispersity index of 1.5. In aqueous solution, the polymericPPE‐IMis highly stable unlike its small molecule analog which is gradually hydrolyzed. The weak fluorescence of initialPPE‐IM(λem = 470) is greatly enhanced by 300 folds upon the addition of Fe3+. The1H NMR reveals that the fluorescence enhancement is caused by Fe3+‐induced hydrolysis of the imine group. The sensing system shows a detection limit of 0.14 μM of Fe3+. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem.2018,56, 1155–1161
Resistance to discontinuing breast cancer screening in older women: A qualitative study
Authors: Housten Ashley J. , Pappadis Monique R. , Krishnan Shilpa , Weller Susan C. , Giordano Sharon H. , Bevers Therese B. , Volk Robert J. , Hoover Diana S. 
Published: March 2018

AbstractObjectiveScreening mammography is associated with reduced breast cancer‐specific mortality; however, among older women, evidence suggests that the potential harms of screening may outweigh the benefits. We used a qualitative approach to examine the willingness of older women from different racial/ethnic groups to discontinue breast cancer screening.MethodsWomen ≥70 years of age who reported having a screening mammogram in the past 3 years and/or reported that they intended to continue screening in the future were recruited for in‐depth interviews. Participants who intended to continue screening were asked to describe how the following hypothetical scenarios would impact a decision to discontinue screening: health concerns or limited life expectancy, a physician's recommendation to discontinue, reluctance to undergo treatment, and recommendations from experts or governmental panels to stop screening. Semi‐structured, face‐to‐face interviews were audio‐recorded. Data coding and analysis followed inductive and deductive approaches.ResultsRegardless of the scenario, participants (n = 29) expressed a strong intention to continue screening. Based on the hypothetical physician recommendations, intentions to continue screening appeared to remain strong. They did not envision a change in their health status that would lead them to discontinue screening and were skeptical of expert/government recommendations. There were no differences observed according to age, race/ethnicity, or education.ConclusionsAmong older women who planned to continue screening, intentions to continue breast cancer screening appear to be highly resilient and resistant to recommendations from physicians or expert/government panels.
The ecology of patient and caregiver participation in consultations involving advanced cancer
Authors: Freytag Jennifer , Street Jr Richard L. , Xing Guibo , Duberstein Paul R. , Fiscella Kevin , Tancredi Daniel J. , Fenton Joshua J. , Kravitz Richard L. , Epstein Ronald M. 
Published: March 2018

AbstractObjectiveTo identify predictors of participation of patients with advanced cancer in clinical encounters with oncologists and to assess the impact of patient and caregiver participation on perceptions of physician support.MethodsThis is a secondary data analysis from the Values and Options in Cancer Care study, a cluster randomized clinical trial of a patient‐centered communication intervention. Patients and caregivers completed pre‐visit and post‐visit health and communication measures. Audio recorded patient‐caregiver (when present)‐physician encounters were coded for active patient/caregiver participation behaviors (eg, question asking, expressing concern) and for physicians' facilitative communication (eg, partnership‐building, support). Mixed linear regression models were used to identify patient, physician, and situational factors predicting patient and patient plus caregiver communication behaviors and post‐visit outcomes.ResultsPhysician partnership building predicted greater expressions of concern and more assertive responses from patients and patient‐caregiver pairs. Patients' perceptions of greater connectedness with their physician predicted fewer patient expressions of concern. Patient perceptions of physician respect for their autonomy were lower among patients accompanied by caregivers. Caregiver perceptions of physician respect for patient autonomy decreased with increasing patient age and varied by site.ConclusionsIn advanced cancer care, patient and caregiver communication is affected by ecological factors within their consultations. Physicians can support greater patient participation in clinical encounters through facilitative communication such as partnership‐building and supportive talk. The presence of a caregiver complicates this environment, but partnership building techniques may help promote patient and caregiver participation during these visits.
Airway cells from protracted bacterial bronchitis and bronchiectasis share similar gene expression profiles
Authors: Chen Alice C.‐H. , Pena Olga M. , Nel Hendrik J. , Yerkovich Stephanie T. , Chang Anne B. , Baines Katherine J. , Gibson Peter G. , Petsky Helen L. , Pizzutto Susan J. , Hodge Sandra , Masters Ian B. , Buntain Helen L. , Upham John W. 
Published: March 2018

AbstractAimProtracted bacterial bronchitis (PBB) is a common cause of prolonged cough in young children, and may be a precursor of bronchiectasis. Bacteria are often present in the lower airways in both PBB and bronchiectasis and may cause persistent infections. However, there is a paucity of information available on the pathogenesis of PBB and the factors associated with persistent bacterial infection and progression to bronchiectasis. This study hypothesised that lung immune cells in recurrent PBB and bronchiectasis differentially express genes related to immune cell dysfunction compared to lung immune cells from control subjects.MethodCells isolated from bronchoalveolar lavage (adult‐control and PBB BAL cells) were stimulated with nontypeable Haemophilus influenzae (NTHi), and expression of genes involved in various inflammatory pathways was assessed.ResultNTHi induced production of large amounts of IL‐1β, IL‐6, and IL‐8 in adult‐control BAL cells, however BAL cells from PBB airways appeared refractory to NTHi stimulation. BAL cells from PBB and bronchiectasis showed differential expression of several genes relative to control cells, including CCL20, MARCO, CCL24, IL‐10, PPAR‐γ, CD200R, TREM2, RelB. Expression of genes involved in resolution of inflammation and anti‐inflammation response, such as CD200R and IL‐10, was associated with the number of pathogenic bacteria found in the airways.ConclusionIn summary, we have shown that the expression of genes related to macrophage function and resolution of inflammation are similar in PBB and bronchiectasis. Lung immune cell dysfunction in PBB and bronchiectasis may contribute to poor bacterial clearance and prolonged resolution of inflammation.
A graphical method for comparing nocturnal oxygen saturation profiles in individuals and populations: Application to healthy infants and preterm neonates
Authors: Terrill Philip I. , Dakin Carolyn , Edwards Bradley A. , Wilson Stephen J. , MacLean Joanna E. 
Published: March 2018

AbstractStudy ObjectivesPulse‐oximetry (SpO2) allows the identification of important clinical physiology. However, summary statistics such as mean values and desaturation incidence do not capture the complexity of the information contained within continuous recordings. The aim of this study was to develop an objective method to quantify important SpO2 characteristics; and assess its utility in healthy infant and preterm neonate cohorts.MethodsAn algorithm was developed to calculate the desaturation incidence, depth, and duration. These variables are presented using three plots: SpO2 cumulative‐frequency relationship; desaturation‐depth versus incidence; desaturation‐duration versus incidence. This method was applied to two populations who underwent nocturnal pulse‐oximetry: (1) thirty‐four healthy term infants studied at 2‐weeks, 3, 6, 12, and 24‐months of age and (2) thirty‐seven neonates born <26 weeks and studied at discharge from NICU (37‐44 weeks post‐conceptual age).ResultsThe maturation in healthy infants was characterized by reduced desaturation index (27.2/h vs 3.3/h at 2‐weeks and 24‐months, P < 0.01), and increased percentage of desaturation events ≥6‐s in duration (27.8% vs 43.2% at 2‐weeks and 3‐months, P < 0.01). Compared with term‐infants, preterm infants had a greater desaturation incidence (54.8/h vs 27.2/h, P < 0.01), and these desaturations were deeper (52.9% vs 37.6% were ≥6% below baseline, P < 0.01). The incidence of longer desaturations (≥14‐s) in preterm infants was correlated with healthcare utilization over the first 24‐months (r = 0.63, P < 0.01).ConclusionsThis tool allows the objective comparison of extended oximetry recordings between groups and for individuals; and serves as a basis for the development of reference ranges for populations.
Non‐invasive ventilation practices in children across Europe
Authors: Mayordomo‐Colunga Juan , Pons‐Òdena Martí , Medina Alberto , Rey Corsino , Milesi Christophe , Kallio Merja , Wolfler Andrea , García‐Cuscó Mireia , Demirkol Demet , García‐López Milagros , Rimensberger Peter 
Published: March 2018

AbstractObjectivesTo describe the diversity in practice in non‐invasive ventilation (NIV) in European pediatric intensive care units (PICUs).Working hypothesisNo information about the use of NIV in Pediatrics across Europe is currently available, and there might be a wide variability regarding the approach.Study designCross‐sectional electronic survey.MethodologyThe survey was distributed to the ESPNIC mailing list and to researchers in different European centers.ResultsOne hundred one units from 23 countries participated. All respondent units used NIV. Almost all PICUs considered NIV as initial respiratory support (99.1%), after extubation (95.5% prophylactically, 99.1% therapeutically), and 77.5% as part of palliative care. Overall NIV use outside the PICUs was 15.5% on the ward, 20% in the emergency department, and 36.4% during transport. Regarding respiratory failure cause, NIV was delivered in pneumonia (97.3%), bronchiolitis (94.6%), bronchospasm (75.2%), acute pulmonary edema (84.1%), upper airway obstruction (76.1%), and in acute respiratory distress syndrome (91% if mild, 53.1% if moderate, and 5.3% if severe). NIV use in asthma was less frequent in Northern European units in comparison to Central and Southern European PICUs (P = 0.007). Only 47.7% of the participants had a written protocol about NIV use. Bilevel NIV was applied mostly through an oronasal mask (44.4%), and continuous positive airway pressure through nasal cannulae (39.8%). If bilevel NIV was required, 62.3% reported choosing pressure support (vs assisted pressure‐controlled ventilation) in infants; and 74.5% in older children.ConclusionsThe present study shows that NIV is a widespread technique in European PICUs. Practice across Europe is variable.
ProtaBank: A repository for protein design and engineering data
Authors: Wang Connie Y. , Chang Paul M. , Ary Marie L. , Allen Benjamin D. , Chica Roberto A. , Mayo Stephen L. , Olafson Barry D. 
Published: March 2018

AbstractWe present ProtaBank, a repository for storing, querying, analyzing, and sharing protein design and engineering data in an actively maintained and updated database. ProtaBank provides a format to describe and compare all types of protein mutational data, spanning a wide range of properties and techniques. It features a user‐friendly web interface and programming layer that streamlines data deposition and allows for batch input and queries. The database schema design incorporates a standard format for reporting protein sequences and experimental data that facilitates comparison of results across different data sets. A suite of analysis and visualization tools are provided to facilitate discovery, to guide future designs, and to benchmark and train new predictive tools and algorithms. ProtaBank will provide a valuable resource to the protein engineering community by storing and safeguarding newly generated data, allowing for fast searching and identification of relevant data from the existing literature, and exploring correlations between disparate data sets. ProtaBank invites researchers to contribute data to the database to make it accessible for search and analysis. ProtaBank is available at https://protabank.org.
Structural basis for tumor necrosis factor blockade with the therapeutic antibody golimumab
Authors: Ono Masatsugu , Horita Shoichiro , Sato Yumi , Nomura Yayoi , Iwata So , Nomura Norimichi 
Published: March 2018

AbstractTumor necrosis factor α (TNFα) is a proinflammatory cytokine, and elevated levels of TNFα in serum are associated with various autoimmune diseases, including rheumatoid arthritis (RA), ankylosing spondylitis (AS), Crohn's disease (CD), psoriasis, and systemic lupus erythaematosus. TNFα performs its pleiotropic functions by binding to two structurally distinct transmembrane receptors, TNF receptor (TNFR) 1 and TNFR2. Antibody‐based therapeutic strategies that block excessive TNFα signaling have been shown to be effective in suppressing such harmful inflammatory conditions. Golimumab (Simponi®) is an FDA‐approved fully human monoclonal antibody targeting TNFα that has been widely used for the treatment of RA, AS, and CD. However, the structural basis underlying the inhibitory action of golimumab remains unclear. Here, we report the crystal structure of the Fv fragment of golimumab in complex with TNFα at a resolution of 2.73 Å. The resolved structure reveals that golimumab binds to a distinct epitope on TNFα that does not overlap with the binding residues of TNFR2. Golimumab exerts its inhibitory effect by preventing binding of TNFR1 and TNFR2 to TNFα by steric hindrance. Golimumab does not induce conformational changes in TNFα that could affect receptor binding. This mode of action is specific to golimumab among the four anti‐TNFα therapeutic antibodies currently approved for clinical use.
The what, when, and why of human prostate cancer xenografts
Authors: Brennen W. Nathaniel , Isaacs John T. 
Published: March 2018

BackgroundPresently, ∼85 serially transplantable human prostate cancer xenografts spanning the phenotypic, epigenetic, and genetic heterogeneity seen clinically are available in a variety of laboratories throughout the world. If distributed to the prostate cancer research community, these can provide an experimental platform for resolving the specificity versus generalizability of basic cancer biology principles (eg, credentialing of therapeutic molecular targets) and for validating translational approaches for prevention, diagnosis, and therapy. Thus, there is an urgent need to distribute the already established serially transplantable human prostate cancer xenografts and to develop robust methods for establishing new ones.MethodsTo accelerate the development of such additional xenografts, particularly from patients treated with the newer standard of care agents (ie, abiraterone, enzalutamide, cabazitaxel, alpharadin, etc), a historic review of the field will be presented.ResultsOver the last 50 years, multiple groups throughout the world have developed methods for the successful establishment of serially transplantable human prostate cancer xenografts using a variety of immune deficient mice. These are summarized chronologically.Conclusions and FutureWith the ever growing appreciation of the value of personalized medicine (aka precision medicine), methods need to be developed that allow efficient and timely growth of primary patient derived prostate cancer xenografts (PDXs), which can be used as “avatars” for defining optimal therapy for that specific patient. Such development should be based upon the leads obtained from the successful establishment of serially transplantable prostate cancer xenografts described in this review.
Complex formation dynamics of native and mutated pyrin's B30.2 domain with caspase‐1
Authors: Arakelov Grigor , Arakelov Vahram , Nazaryan Karen 
Published: March 2018

AbstractPyrin protein is the product of the MEFV gene, mutations in which cause manifestation of familial Mediterranean fever (FMF). Functions of pyrin are not completely clear. The secondary structure of the pyrin is represented with four domains and two motifs. Mutations p.M680I, p.M694V, p.M694I, p.K695R, p.V726A, and p.A744S, which are located in the B30.2 domain of pyrin protein, are responsible for manifestation of the most common and severe forms of FMF. All the domains and the motifs of pyrin, are directly or indirectly, involved in the protein–protein interaction with proteins of apoptosis and regulate the cascade of inflammatory reactions, which is impaired due to pyrin mutations. It is well known, that malfunction of the pyrin‐caspase‐1 complex is the main reason of inflammation during FMF. Complete tertiary structure of pyrin and the effects of mutations in it are experimentally not studied yet. The aim of this study was to identify possible effects of the abovementioned mutations in the B30.2 domain tertiary structure and to determine their potential consequences in formation of the B30.2‐caspase‐1 complex. Using in silico methods, it was found, that these mutations led to structural rearrangements in B30.2 domain tertiary structure, causing shifts of binding sites and altering the interaction energy between B30.2 and caspase‐1.
Potential global distribution of Diabrotica species and the risks for agricultural production
Authors: Marchioro Cesar A , Krechemer Flavia S 
Published: March 2018

AbstractBACKGROUNDDespite efforts in the last few decades to prevent biological invasions, agricultural pests continue to spread as a result of globalization and international trade. This study was conducted to identify suitable areas for the occurrence of four Diabrotica species and to assess the potential impact of these species in a scenario of invasion followed by spread throughout the estimated suitable regions.RESULTSOur findings reveal that a large proportion of the suitable areas for Diabrotica species overlap with cultivated areas. Niche analyses also demonstrated that these species occupy a small proportion of the suitable habitats available to them, indicating that, if new areas are invaded, there is a risk of spread throughout adjacent regions.CONCLUSIONMost of the suitable areas for Diabrotica species overlap with highly productive agricultural areas, suggesting that a potential spread of these species may cause economic loss. Our study provides a valuable contribution to the development of tools aiming to predict the potential spread of these species throughout the world. © 2018 Society of Chemical Industry