bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reliability analysis for shock systems based on damage evolutions via Markov processes
Authors: Yin Juan , Cui Lirong 
Published: December 2022

AbstractReliability evaluation under shock models has attracted considerable attention in the literature. Existing research on shock models has focused primarily on damage effects of shocks treated as constants after the arrivals of shocks. Due to the presence of self‐healing, deterioration, and variation over time, the damage effects caused by the shocks may have some evolutions. In this work, we focus on arrivals of shocks that follow a continuous‐time renewal process, and a Markov process that describes the evolution of shock damage. In this regard, we develop here two kinds of shock models and then derive system reliabilities under these two kinds of shock models. The asymptotic behavior of the damage evolution process of each shock is then discussed, and the probabilities of each shock eventually disappearing and destroying the system are derived through the use of aggregated stochastic processes. Finally, the results and numerical examples are presented for three special cases, namely: (1) when the inter‐arrival times of the shocks follow exponential distribution, (2) when the inter‐arrival times of the shocks follow Erlang distribution, and (3) when the inter‐arrival times of the shocks follow uniform distribution.
Impact of number of shipping lines on ports' charges and profits: A game‐theoretic model
Authors: Do Minh , Arthanari Tiru , Olsen Tava Lennon , Shalpegin Timofey , Wang Shuaian 
Published: December 2022

AbstractThis study examines the effect of changes in the number of shipping lines on port charges and profits. A two‐stage noncooperative game‐theoretic model with two ports and multiple identical shipping lines is developed. In the first stage, the ports decide their container handling charges, and in the second stage, the shipping lines decide on the number of calls to make at each port, given the port charges. The model is then applied to the case of competition between two ports in New Zealand, the Port of Tauranga and the Port of Auckland, to derive managerial insights. Our study extends the literature on port competition by incorporating competition between shipping lines. We also demonstrate that a decrease in the number of shipping lines may force ports to increase their handling charges. Furthermore, we show that each shipping line ships more cargo than the industry optimal via the port with lower costs.
A combinatorial branch and bound for the safe set problem
Authors: Boggio Tomasaz Alberto , Cordone Roberto , Hosteins Pierre 
Published: December 2022

AbstractThe Weighted Safe Set Problem requires to partition an undirected graph into two families of connected components, respectively denoted as safe and unsafe, in such a way that each safe component dominates the unsafe adjacent components with respect to a weight function. We introduce a combinatorial branch and bound approach, whose main strength is a refined relaxation that combines graph manipulations and the solution of an auxiliary problem. We also propose fixing procedures to reduce the number of branching nodes. The algorithm solves all weighted instances available in the literature and most unweighted ones, up to 50 vertices, with computational times orders of magnitude smaller than the competing algorithms. In order to investigate the limits of the approach, we introduce a benchmark of graphs with 60 vertices, solving to optimality the denser instances.
Nurses' comfort care of transarterial chemoembolization patients based on their perceptions around postembolization syndrome and symptom interference
Authors: Kim Myoung Soo , Kang Minkyeong , Park Jiwon , Ryu Jung Mi 
Published: December 2022

AbstractAimPost‐embolization syndrome is a common adverse event following trans‐arterial chemoembolization, which negatively impacts the daily life of the patients involved. This study examined whether perceptions around post‐embolization syndrome and symptom interference among nurses affect their comfort care performance toward patients who have undergone this procedure.DesignA descriptive cross‐sectional study.MethodsOne hundred and fifty registered nurses were surveyed from September to November 2020. Perceived post‐embolization syndrome, symptom interference, and comfort care (including physical, psychospiritual, sociocultural, and environmental dimensions) were measured. Data were analyzed using t‐tests, analysis of variance, Pearson's correlation, and a multivariate analysis of variance.ResultsThere were no individual effects found of perceived post‐embolization syndrome or symptom interference on nurses' comfort care performance. However, statistically significant interaction effects were found in terms of their sociocultural and environmental care.ConclusionNurses who recognized both high post‐embolization syndrome and symptom interference among their patients were found to provide greater sociocultural and environmental care. As such, nurses should improve their early symptom and symptom interference detection protocols based on current care guidelines and provide physical, psychospiritual, sociocultural, and environmental comfort care.
Learning engagement; nursing students' experiences in an online environment at a university
Authors: Munangatire Takaedza , Indjamba Lea 
Published: December 2022

AbstractAimThe aim of this study was to understand students' engagement with learning in an online environment at a university in Namibia.DesignA qualitative descriptive design was applied.MethodsData were collected using in‐depth telephonic interviews among 12 purposively selected nursing students. Data were analysed thematically.ResultsWhile the students did practice engagement, their understanding of learning engagement was not clear. The students considered online learning to be a safe space for engagement that enhanced active participation. They also noted that it forced them to reflect on their pre‐existing knowledge before learning new information and ultimately enhanced their understanding of the learning material. The findings of this research suggest that online platforms and apps can support nursing students' learning engagement, in particular behavioural engagement, but they are less conducive to cognitive and affective engagement.
First‐time parents' experiences related to parental self‐efficacy: A scoping review
Authors: Sæther Kristin M. , Berg Rigmor C. , Fagerlund Bettina Holmberg , Glavin Kari , Jøranson Nina 
Published: December 2022

AbstractBecoming a parent for the first time is a major transition, and parental self‐efficacy (PSE) is considered an important predictor of parenting functioning. We aimed to describe and synthesize qualitative studies that explore first‐time parents' experiences related to PSE in the transition to parenthood in the first‐year postpartum. We conducted a scoping review in accordance with international guidelines. The main search strategy consisted of searches in six electronic databases. We selected studies based on predetermined inclusion and exclusion criteria, extracted data, and conducted a descriptive qualitative thematic analysis. We included 58 studies (presented in 61 reports) with 1341 participants from 17 countries. Most of the participants (89%) were mothers, and a third of the studies were task‐specific regarding breastfeeding. The thematic analysis of the findings concerning PSE revealed five main, interconnected themes: culture—factors in society and the healthcare services; parents—processes within the parents; tasks—different parental tasks; support—parents' perceived support from professionals, peers, friends, family, and partner; and child—the child's well‐being and feedback. This scoping review describes qualitative studies on first‐time parents' experiences related to PSE. The findings inform future studies of PSE and clinical practice by confirming the importance of PSE in the transition to parenthood, the complexity of different factors that may have an impact, and the centrality of breastfeeding in PSE. Based on these findings, we suggest that a full systematic review with quality assessment would be appropriate.
Greener Cleavage of Protected Peptide Fragments from Sieber Amide Resin
Authors: Al Musaimi Othman , Gavva Varshitha , Williams Daryl R. 
Published: December 2022

AbstractFollowing the successful introduction of two benign solvents for cleaving protected acid peptide fragments from 2‐chlorotrityl chloride (2‐CTC) resin, there is a need to green the cleavage process for obtaining protected peptide amide fragments. In this work, p‐xylene and toluene are introduced as greener alternates to dichloromethane (DCM) for preparing protected peptide amide fragments from a Sieber amide resin. The N‐dealkylation is a demanding chemical reaction, requiring that the cleavage protocol be optimised to ensure complete cleavage from the resin. After a 30 min reaction time, only 66 % of the final peptide product was retrieved even with the conventional dichloromethane solvent. Therefore, 120 min was considered sufficient to fully cleave the peptide from the Sieber amide resin. This work reaffirms the fact that greening strategies are far from detrimental, with green alternatives often outperforming their replaced counterparts.
Phenolate‐Induced N−O Bond Formation versus Tiemann‐Type Rearrangement for the Synthesis of 3‐Aminobenzisoxazoles and 2‐Aminobenzoxazoles
Authors: Hufnagel Benedikt , Zhu W. Felix , Franz Hanna M. , Proschak Ewgenij , Hernandez‐Olmos Victor 
Published: December 2022

AbstractA novel oxadiazolone‐based method for the synthesis of 3‐aminobenzisoxazoles by N−O bond formation and of 2‐aminobenzoxazoles through a Tiemann‐type rearrangement has been developed. The synthesis of these two pharmaceutically relevant heterocycles was realized by an unexplored retrosynthetic disconnection using a cyclic nitrenoid precursor‐based strategy. The selective formation of the two isomers was significantly influenced by steric and electronic effects of substituents. However, tetrabutylammonium chloride (TBACl) efficiently promoted the Tiemann‐type rearrangement over N−O bond formation. Control experiments indicate that deprotonation of the phenol induces both rearrangements.
Imaging of pediatric calvarial and skull base tumors: A COG Diagnostic Imaging Committee/SPR Oncology Committee/ASPNR White Paper
Authors: Intrapiromkul Jarunee , Wangaryattawanich Pattana , Patay Zoltan , Huisman Thierry A.G.M. , Wright Jason N. , Jones Jeremy Y. , Ramakrishnaiah Raghu , Patel Rajan , Goldman‐Yassen Adam E. , Kralik Stephen , Mamlouk Mark , Desai Nilesh K. 
Published: December 2022

AbstractA standardized imaging protocol for pediatric oncology patients is essential for accurate and efficient imaging, while simultaneously promoting collaborative understanding of pathologies and radiologic assessment of treatment response. The objective of this article is to provide standardized pediatric imaging guidelines and parameters for evaluation of tumors of the pediatric orbit, calvarium, skull base, and temporal bone. This article was drafted based on current scientific literature as well as consensus opinions of imaging experts in collaboration with the Children's Oncology Group Diagnostic Imaging Committee, Society of Pediatric Radiology Oncology Committee, and American Society of Pediatric Neuroradiology.
Allogeneic CD34+ selected hematopoietic stem cell boost following CAR T‐cell therapy in a patient with prolonged cytopenia and active infection
Authors: Lipsitt Amanda , Beattie Lisa , Harstead Elaine , Li Ying , Goorha Salil , Maron Gabriela , Gottschalk Stephen , Triplett Brandon , Naik Swati 
Published: December 2022

AbstractHematological toxicity (hematotoxicity) leading to peripheral cytopenias is a common long‐term adverse effect following the use of CD19‐chimeric antigen receptor (CD19‐CAR) T‐cell therapies. However, management remains unclear for patients whose cytopenias persist beyond 1 month after CAR T‐cell infusion. We present the case of a 21‐year old who received CD19‐CAR T‐cell therapy for relapse following a haploidentical transplant. He developed hematotoxicity and consequently multiple life‐threatening infections. We administered a CD34+ hematopoietic stem cell boost (HSCB) from his transplant donor, which led to hematopoietic recovery and resolution of his infections without any effect on the activity of CD19‐CAR T cells. CD34+ HSCB can be a safe and effective option to treat hematotoxicity following CD19‐CAR T‐cell therapy.
Plasticizing effect of 1‐butyl‐3‐methylimidazolium bromide content on poly(vinyl alcohol)
Authors: Wang Chao , He Junwei , Zou Liming , Wang Huajun , Wang Yanli , Li Yan Vivian 
Published: December 2022

AbstractPVA/IL composites were successfully prepared with an ionic liquid (IL), 1‐butyl‐3‐methylimidazolium bromide and poly(vinyl alcohol) (PVA). The plasticizing effect of IL on PVA was investigated using Fourier transform infrared (FTIR) spectroscopy, differential scanning calorimetry (DSC), X‐ray diffraction (XRD), thermogravimetric analysis (TGA) and melt flow index (MI) measurements. FTIR analysis indicated that the anion (Br−) of IL could form hydrogen bonds with the hydroxyl groups of PVA. With an increase of IL, –OH absorption peaks of PVA/IL composites shifted to higher wavenumbers. DSC analysis showed that both melt and crystallization temperatures of the PVA/IL composites decreased as IL content increased. XRD analysis showed that the degree of crystallinity of the PVA/IL composites had a decreasing trend with an increase of IL. TGA showed that IL could effectively improve the thermal stability of PVA. The thermal stability of the PVA/IL composites decreased gradually with increasing IL content, but was higher than that of PVA. Thermal processing window (ΔT) analysis indicated that the addition of IL could significantly broaden ΔT of the PVA/IL composites, and their ΔT values first remained basically unchanged and then increased slightly with an increase of IL. In addition, MI analysis presented that the melt processability of the PVA/IL composites was not improved with the addition of IL and it was gradually improved with increasing IL content. In this work, PVA/IL composites with wide ΔT and high melt flow properties were prepared, which will lay a solid foundation for the preparation of high‐performance PVA fibers by melt spinning. © 2022 Society of Industrial Chemistry.
Influence of polymer compatibility and layer thickness on the structural and thermophysical properties of polymer multilayer films
Authors: Melnikova Sofia D. , Larin Sergey V. 
Published: December 2022

AbstractCoextruded multilayer polymer films are promising packaging materials since their architecture and properties can be adjusted while the production technology is environmentally friendly. Here, the effect of layers thickness and polymers compatibility in alternating layers on the structure and thermophysical properties of such films was studied by means of molecular dynamics simulations. The results show that the model films with layers of incompatible polymers polylactide (PLA) and polyethylene (PE) are stable in time and have very low interfacial diffusion depth even when the layers thickness is about several nanometers. Systems with incompatible polymers differ from the systems with compatible ones by the presence of anisotropy in the mobility of polymer atoms. These films also have two glass transition temperatures. Multilayer films based on compatible for the selected chain lengths polymers PLA and poly(3‐hydroxybutyrate) (PHB) as well as one‐component systems with PLA layers have a single glass transition point. In these films interfacial diffusion depth tends to gradually increase during the simulation. However, even for one‐component system with layers thickness of 7.5 nm sufficiently stable structure of the film is formed, while heterogeneous films with PLA and PHB layers reach metastable state during the modeling with almost constant interfacial diffusion depth.
Insights into reactivity and bactericidal effects of water activated by He and Ar plasma jets
Authors: Lin Jiao , Liu Dingxin , Zhang Jishen , Zhou Renwu , Rong Mingzhe , Ostrikov Kostya (Ken) 
Published: December 2022

AbstractInteractions of cold atmospheric‐pressure plasma jets (APPJs) and water are important for water purification, chemical synthesis, medicine, and biotechnology. However, the reactivity and bactericidal effects of water activated with jets of different ionized gases remain unclear, especially in the commonly used helium (He)‐ and argon (Ar)‐APPJ systems. Here, He and Ar are used as working gases to produce APPJ for comparing the plasma‐induced aqueous reactive species and bacteria inactivation effects in solutions. Experimental results indicate that the Ar plasma jet shows a quicker propagation velocity and higher concentrations of gaseous reactive species, and the gas and electron temperature are different for the He and Ar plasma. Moreover, the higher concentration of aqueous reactive species, such as ∙OH, ∙O2−/ONOOH, H2O2, NO2−, and NO3−, and better bacterial inactivation effects are achieved by the Ar plasma treatment. Water deformation induced from plasma water is found as the reason for the different reactivity and bactericidal effects. Further validation experiments using a film with different pore diameters confirm that the molecular weight of the working gas influences the shape and stability of the cavity induced by the gas flow in the plasma jet, and plays a vital role in the production of aqueous reactive species with variable concentrations.
Neural network‐derived Potts models for structure‐based protein design using backbone atomic coordinates and tertiary motifs
Authors: Li Alex J. , Lu Mindren , Desta Israel , Sundar Vikram , Grigoryan Gevorg , Keating Amy E. 
Published: December 2022

AbstractDesigning novel proteins to perform desired functions, such as binding or catalysis, is a major goal in synthetic biology. A variety of computational approaches can aid in this task. An energy‐based framework rooted in the sequence‐structure statistics of tertiary motifs (TERMs) can be used for sequence design on predefined backbones. Neural network models that use backbone coordinate‐derived features provide another way to design new proteins. In this work, we combine the two methods to make neural structure‐based models more suitable for protein design. Specifically, we supplement backbone‐coordinate features with TERM‐derived data, as inputs, and we generate energy functions as outputs. We present two architectures that generate Potts models over the sequence space: TERMinator, which uses both TERM‐based and coordinate‐based information, and COORDinator, which uses only coordinate‐based information. Using these two models, we demonstrate that TERMs can be utilized to improve native sequence recovery performance of neural models. Furthermore, we demonstrate that sequences designed by TERMinator are predicted to fold to their target structures by AlphaFold. Finally, we show that both TERMinator and COORDinator learn notions of energetics, and these methods can be fine‐tuned on experimental data to improve predictions. Our results suggest that using TERM‐based and coordinate‐based features together may be beneficial for protein design and that structure‐based neural models that produce Potts energy tables have utility for flexible applications in protein science.
Target‐template relationships in protein structure prediction and their effect on the accuracy of thermostability calculations
Authors: Lihan Muyun , Lupyan Dmitry , Oehme Daniel 
Published: December 2022

AbstractImproving protein thermostability has been a labor‐ and time‐consuming process in industrial applications of protein engineering. Advances in computational approaches have facilitated the development of more efficient strategies to allow the prioritization of stabilizing mutants. Among these is FEP+, a free energy perturbation implementation that uses a thoroughly tested physics‐based method to achieve unparalleled accuracy in predicting changes in protein thermostability. To gauge the applicability of FEP+ to situations where crystal structures are unavailable, here we have applied the FEP+ approach to homology models of 12 different proteins covering 316 mutations. By comparing predictions obtained with homology models to those obtained using crystal structures, we have identified that local rather than global sequence conservation between target and template sequence is a determining factor in the accuracy of predictions. By excluding mutation sites with low local sequence identity (<40%) to a template structure, we have obtained predictions with comparable performance to crystal structures (R2 of 0.67 and 0.63 and an RMSE of 1.20 and 1.16 kcal/mol for crystal structure and homology model predictions, respectively) for identifying stabilizing mutations when incorporating residue scanning into a cascade screening strategy. Additionally, we identify and discuss inherent limitations in sequence alignments and homology modeling protocols that translate into the poor FEP+ performance of a few select examples. Overall, our retrospective study provides detailed guidelines for the application of the FEP+ approach using homology models for protein thermostability predictions, which will greatly extend this approach to studies that were previously limited by structure availability.
A correlative biomarker study and integrative prognostic model in chemotherapy‐naïve metastatic castration‐resistant prostate cancer treated with enzalutamide
Authors: Fernandez‐Perez María P. , Perez‐Navarro Enrique , Alonso‐Gordoa Teresa , Conteduca Vicenza , Font Albert , Vázquez‐Estévez Sergio , González‐del‐Alba Aránzazu , Wetterskog Daniel , Antonarakis Emmanuel S. , Mellado Begona , Fernandez‐Calvo Ovidio , Méndez‐Vidal María J. , Climent Miguel A. , Duran Ignacio , Gallardo Enrique , Rodriguez Sanchez Angel , Santander Carmen , Sáez Maria I. , Puente Javier , Tudela Julian , Martínez Alberto , López‐Andreo Maria J. , Padilla José , Lozano Rebeca , Hervas David , Luo Jun , de Giorgi Ugo , Castellano Daniel , Attard Gerhardt , Grande Enrique , Gonzalez‐Billalabeitia Enrique 
Published: December 2022

AbstractBackgroundThere is a considerable need to incorporate biomarkers of resistance to new antiandrogen agents in the management of castration‐resistant prostate cancer (CRPC).MethodsWe conducted a phase II trial of enzalutamide in first‐line chemo‐naïve asymptomatic or minimally symptomatic mCRPC and analyzed the prognostic value ofTMPRSS2‐ERGand other biomarkers, including circulating tumor cells (CTCs), androgen receptor splice variant (AR‐V7) in CTCs and plasma Androgen Receptor copy number gain (AR‐gain). These biomarkers were correlated with treatment response and survival outcomes and developed a clinical–molecular prognostic model using penalized cox‐proportional hazard model. This model was validated in an independent cohort.ResultsNinety‐eight patients were included.TMPRSS2‐ERGfusion gene was detected in 32 patients with no differences observed in efficacy outcomes. CTC detection was associated with worse outcome and AR‐V7 in CTCs was associated with increased rate of progression as best response. Plasma AR gain was strongly associated with an adverse outcome, with worse median prostate specific antigen (PSA)‐PFS (4.2 vs. 14.7 m;p < 0.0001), rad‐PFS (4.5 vs. 27.6 m;p < 0.0001), and OS (12.7 vs. 38.1 m;p < 0.0001). The clinical prognostic model developed in PREVAIL was validated (C‐Index 0.70) and the addition of plasma AR (C‐Index 0.79;p < 0.001) increased its prognostic ability. We generated a parsimonious model including alkaline phosphatase (ALP); PSA and AR gain (C‐index 0.78) that was validated in an independent cohort.ConclusionsTMPRSS2‐ERGdetection did not correlate with differential activity of enzalutamide in first‐line mCRPC. However, we observed that CTCs and plasma AR gain were the most relevant biomarkers.