bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural Studies of Donor‐Free and Donor‐Solvated Sodium Carboxylates
Authors: Gauld Richard M. , McLellan Ross , Kennedy Alan R. , Carson Freya J. , Barker Jim , Reid Jacqueline , O'Hara Charles T. , Mulvey Robert E. 
Published: March 2021

AbstractFocusing mainly on sodium 2‐ethylhexanoate, this study reveals that the carboxylate exists as a dimer in MeOD solution as evidenced by Diffusion Ordered NMR SpectroscopY (DOSY). Two crystalline varieties with distinct polymeric structures have been synthesised and crystallographically characterised. A mixed 1,10‐phenanthroline–water solvate [{(C5H10)(C2H5)COONa.(H2O)[1,10‐phen]}2]∞ contains dimeric [Na(OH2)]2 subunits, which propagate through hydrogen bonds between O atoms of the carboxylate and OH water bonds. Adjacent polymeric chains interdigitate with each other through π−π interactions between 1,10‐phen rings. Solvent‐free sodium 2‐ethylhexanoate has five‐coordinate cations comprising one bidentate chelating and three monodentate carboxylate oxygen atoms. Here, the packing arrangement is different with the central hydrophilic (NaO2)∞ core surrounded by a wrapping of disordered alkyl groups. A similar polymeric structure is observed for the crystalline DMSO‐solvated sodium valproate [{(C3H7)(C4H8)COONa.(DMSO)}]∞. This adopts a layered arrangement comprising alternating sodium carboxylate hydrophilic layers and hydrophobic organic bilayers.
Luminescent Ionic Liquid Crystals Based on Naphthalene‐Imidazolium Unit
Authors: del Giudice Nicolas , L'Her Matthieu , Scrafton Emma , Atoini Youssef , Gentile Giuseppe , Heinrich Benoît , Berthiot Romain , Aliprandi Alessandro , Douce Laurent 
Published: March 2021

AbstractIn this article, we describe an efficient synthetic pathway and the characterization of liquid crystal luminescent imidazolium salts based on a naphthalene unit. The luminescent imidazolium‐naphthalene rigid part is decorated with a benzyl group functionalized by two or three dodecyloxy chains. A crystalline structure shows unambiguously the segregation between the rigid ionic and flexible parts conducive to the emergence of mesomorphic properties. A complete thermotropic properties study of these salts has been carried out according to different anions. The alkyl tail number variation and therefore the amphipathic character (balance between hydrophilic/hydrophobic) makes it possible to induce liquid crystal state with different architectures of self‐organization in layers (Smectic A) or columns (Columnar hexagonal). Finally, the photophysical properties were measured in solution and in the solid state at room temperature and showed photoluminescence quantum yields around 20 %.
Simulation of aerodynamic entrainment with interparticle cohesions based on discrete element method
Authors: Jia Shuming , Wang Zhengshi 
Published: March 2021

AbstractAerodynamic entrainment acts as the pioneer of saltation movement and is critical for understanding the development of aeolian phenomena. In this study, air‐driven particles whose bottoms have left the bed surface were considered to be entrainment particles; this definition differs from the previous definition considering the initiation of rolling. We simulated the aerodynamic lifting of surface particles on a randomly oriented sedimentary bed using the discrete element method (DEM); we also proved that particles do not leave the bed vertically with speeds equal to the speed required to reach the height of one grain diameter, as is widely accepted. Rather, the particles were found to leave the bed at a much smaller angle and with much larger velocities with respect to the bed surface. The rate of entrainment exhibits an approximately linear dependence on the shear velocity, not a quadratic dependence, because the velocity of the entrained particles increases linearly with shear velocity. Moreover, the interparticle cohesion, which was found to increase the fluid entrainment threshold significantly, had no effect on the entrainment rate or on the take‐off velocity and angular distributions of the entrained particles. This is because the collisions between the entrained and bed particles destroy the interparticle bonds. Herein, we summarize a complete entrainment scheme based on DEM simulations, which provides a new approach for exploring the development and evolution of aeolian transportation processes.
A robust inverse design solver for controlling the potential aggressiveness of cavitating flow on hydrofoil cascades
Authors: Nahon Jeremy , Zangeneh Mehrdad , Nohmi Motohiko , Watanabe Hiroyoshi , Goto Akira 
Published: March 2021

AbstractThis article presents the development of a new inverse design algorithm capable of generating blade geometries for cavitating cascade flows. With this methodology, we demonstrate the controllability of the pressure distribution in and around the cavity and thereby provide a means to regulate the aggressiveness of blade cavitation phenomena. The solver proposed here uses the Tohoku–Ebara equation of state to model phase change, combined with bespoke preconditioning and multigrid methods designed to handle the system's ill conditioning and cope with the hypersonic flow regime of the mixture, respectively. Blade geometries and the cavitating flow field are calculated simultaneously in a robust and efficient manner, with a blade loading that matches the target distribution. In this article, the accuracy of the cavitating flow solver is first demonstrated for the NACA0015 hydrofoil case and associated experimental data. The inverse design procedure is then applied to a typical axial flow pump cascade: a new blade profile is generated with a topology that successfully reduces the gradient of the pressure jump at cavity closure.
Telemedicine for head and neck cancer surveillance in the COVID‐19 era: Promise and pitfalls
Authors: Fassas Scott , Cummings Emily , Sykes Kevin J. , Bur Andrés M. , Shnayder Yelizaveta , Kakarala Kiran 
Published: March 2021

AbstractBackgroundThe coronavirus disease 2019 pandemic has led to increased telemedicine visits. This study examines current preferences and barriers for telemedicine among patients with head and neck cancer.MethodsSingle institution retrospective analysis of 64 patients scheduling visits with the head and neck surgical oncology clinic at a tertiary academic medical center. Data were collected detailing patient preferences and barriers regarding telemedicine appointments. Patients electing to participate in telemedicine were compared to those preferring in‐person appointments.ResultsMost patients (68%) were not interested in telemedicine. Preference for in‐person examination was the most common reason for rejecting telemedicine, followed by discomfort with or limited access to technology. Patients elected telemedicine visits to avoid infection and for convenience.ConclusionsWhen given a choice, patients with head and neck cancer preferred in‐person visits over telemedicine. Although telemedicine may improve health care access, patient preferences, technology‐related barriers, and limitations regarding cancer surveillance must be addressed moving forward.
Human epidermal growth factor receptor 2 expression in head and neck squamous cell carcinoma: Variation within and across primary tumor sites, and implications for antigen‐specific immunotherapy
Authors: Warren Emilie A. K. , Anil Joshua , Castro Patricia D. , Kemnade Jan , Suzuki Masataka , Hegde Meenakshi , Hicks John , Yu Wendong , Sandulache Vlad , Sikora Andrew G. 
Published: March 2021

AbstractBackgroundThe purpose of this study is to describe human epidermal growth factor 2 (HER2) overexpression in head and neck squamous cell carcinoma (HNSCC) and re‐evaluate its potential as a target for HER2‐directed immunotherapies.MethodsA retrospective cohort of patients with HNSCC receiving curative treatment was identified, and HER2 expression evaluated in archival tissue by immunohistochemistry and correlated with clinicopathological characteristics. HER2 expression data were also determined for HNSCC patients in The Cancer Genome Atlas.ResultsNineteen percent of HNSCC and 39% of oropharyngeal HNSCC (OPSCC) were HER2 positive. HER2 expression positively correlated with nodal metastasis (p = 0.035). Patients with HER2‐positive tumors had decreased overall survival (p = 0.012), including within the human papilloma virus‐positive OPSCC subgroup (p = 0.007).ConclusionsA substantial fraction of HNSCC overexpresses HER2 protein, suggesting it may be a suitable target for antigen‐directed immunotherapy. HER2 expression and its correlation with survival vary across HNSCC subsites, making it unsuitable as a prognostic marker.
High molecular weight form of hyaluronic acid reduces neuroinflammatory response in injured sciatic nerve via the intracellular domain of CD44
Authors: Jou I‐Ming , Wu Tung‐Tai , Hsu Che‐Chia , Yang Cheng‐Chang , Huang Jhy‐Shrian , Tu Yuan‐Kun , Lee Jung‐Shun , Su Fong‐Chin , Kuo Yao‐Lung 
Published: March 2021

AbstractInflammatory response after peripheral nerve injury is required for clearance of tissue debris and effective regeneration. Studies have revealed that hyaluronic acid (HA) may exert different properties depending on their molecular size. High molecular weight HA (>>1,000 kDa; HMW‐HA) displays immunosuppressive properties, whereas low molecular weight HA (<800 kDa; LMW‐HA) induces proinflammatory responses. The role of HMW‐HA interaction with CD44, a major HA receptor, in neuroinflammatory responses has not been fully elucidated. The purpose of this experimental study was to investigate the effects of topical applications of HMW‐HA on the sciatic nerve injury in an adult rat model. At the crush site on the sciatic nerve, the recordings of compound muscle action potential (CMAP) and the levels of several proteins related to inflammatory response were assessed at time intervals of 2, 4, and 6 weeks postsurgery. Here, we show that the recovery effect of HMW‐HA treatment had significantly shortened latency and increased amplitude of CMAP compared with crushed alone, crushed plus γ‐secretase inhibitor with or without HA treatment at 6 weeks after surgery. Our data reveal that HMW‐HA could downregulate the expression of IL1‐β, TLR4, and MMP‐9, whereas these proteins expression were increased when the CD44‐ICD activity was inhibited using γ‐secretase inhibitor. Our findings demonstrated a novel role of CD44‐ICD in HA‐mediated recovery of peripheral nerve injury. Clinical relevance: an alternative for the regeneration of peripheral nerve injury.
d‐Carvone inhibits the JAK/STAT3 signaling pathway and induced the apoptotic cell death in the human gastric cancer AGS cells
Authors: Lv Long , Yang Nan , Cao Youhong , Dang Junqiang , Cheng Likun , El‐Sheikh Mohamed A. , Zhang Yun 
Published: March 2021

AbstractGlobally, gastric cancer is one of the leading cause of death. Surgical and chemotherapy constitute an important treatment regimen. Unfortunately, less than 20 persons out of 100 patients are live on almost 5 years. Hence, a nontoxic, effective and significantly enhancing novel therapeutic agent is required. d‐Carvone is a natural terpenoid present in the essential oils and abundant in the seeds of caraway, as well as known folk medication for diarrhea, acidity, and other gastric disorders. Nevertheless, the role of d‐carvone on gastric cancer and its underlying molecular mechanism resides enigmatic. Cells were treated with d‐carvone to find out the IC50 by MTT assay. This study shows that 20 and 25 μM d‐carvone has induced the reactive oxygen species production and mitochondrial membrane potential in gastric cancer AGS cells, which were evaluated by 2,7‐dichlorofluoresceindiacetate and Rh123 staining methods, respectively. The effect of d‐carvone against the Janus kinase 2 (JAK2)/signal transducer and activator of transcription 3 (STAT3) pathway was studied through immunoblotting. Then, we found that it effectively inhibited the proliferation of cell, and the induction of cell apoptosis was scrutinized by dual, 4’,6‐diamidino‐2‐phenylindole, and also propidium iodide staining methods. We also explored the fundamental molecular signaling mechanism of the d‐carvone and our data depicts that d‐carvone induced apoptosis cell death by mitochondrial reactive oxygen species production and downregulation of the and JAK and STAT3 signaling molecules. These overall findings support that the d‐carvone inhibits the JAK/STAT3 signaling pathway and induces cell death in the gastric cancer AGS cells.
Driving distances and loss to follow‐up after hematopoietic cell transplantation
Authors: Banerjee Rahul , Loren Alison W. 
Published: March 2021

AbstractIn a recent multicenter analysis, long geographic distances predicted loss to follow‐up (LTF) among allogeneic hematopoietic cell transplantation (HCT) survivors. We hypothesized that lower frequencies of patient interactions (including in‐person appointments and telemedicine encounters) would predict LTF rather than long driving distances. However, in our retrospective single‐center analysis of 263 HCT survivors, the only predictors of LTF were residence in the furthest driving‐distance quartile and Medicaid insurance (but not annualized frequencies of patient interactions). Our findings suggest that telemedicine may not necessarily "rescue" long‐distance HCT survivors from LTF. Other solutions, for example patient‐specific partnerships with local providers, may be helpful.
Stress simulation of a foldable active matrix organic light‐emitting diode panel with opening thin film transistor structures based on a finite element unit‐cell model
Authors: Liu Yuanke , Liao Dunming , Wu Di , Jia Yongzhen , Lee Julian , Zhang Zhuo 
Published: March 2021

AbstractIn the bending process of a foldable panel, constrained deformation of patterned structures causes local stress concentrations, which results in the damage of internal components or module stacks. In the present work, a unit‐cell finite element method (FEM) model was used to simulate the bending stress in opening thin film transistor (TFT) structures of a foldable active matrix organic light‐emitting diode (AMOLED) panel. Two different opening methods are compared, and the effect of bending radius is further discussed. The simulation results show that the opening structure can slightly decrease the stress around the hole. The influence of the opening on the stress reduction is gradually increased with the decrease of the bending radius. The simulation results provide the basis for optimizing the TFT structure and improving foldable performance of AMOLED devices.
Acculturation as an ecosystem service? Urban natural space supports evolving relational values and identity in new female migrants
Authors: Ono Aspen J. , Boyd David R. , Chan Kai M. A. 
Published: March 2021

AbstractNew migrants display unique use patterns and relationships with their host country's natural spaces. Understanding migrants' values about and interactions with nature requires identifying the meanings, benefits and capabilities that arise from their socio‐ecological interactions.This research seeks to understand how new migrants' engagement with their host country's urban nature affects their lives, behaviours and identities post‐migration. Using qualitative semi‐structured interviews and background surveys, this study characterizes the ways in which 27 recent international female migrants to Metro Vancouver use, perceive and derive value from their relationships with their host country's nature.Participants were all female migrants of low socio‐economic status, whose particular interacting marginalized identities provided a unique, though potentially limited, understanding of migrants' relationships to their host countries nature. However, they also came from diverse geographic and cultural backgrounds, indicating that common experiences may be indicative of broader trends.Participants expressed a deep value of a generalized conceptualization of ‘Canadian nature’—a relational value that nature is special and to be enjoyed—which informed their use and experiences of Metro Vancouver's natural environments. They felt that their interactions with these spaces provided therapeutic and acculturative ecosystem services by helping them learn about their host country's sociocultural landscape and engage with their own evolving identities relative to their new environment.These findings highlight the complexity of migrant–nature relationships in Canada. Understanding these relationships is further complicated by the interacting influences of intersectional identities with gender and class being particularly relevant to this study. This research highlights how nature's non‐material contributions to people can impact an individual's understandings, meanings and values about places and themselves.A freePlain Language Summarycan be found within the Supporting Information of this article.
Hepatic vascular malignancies in children are associated with increased rates of surgical resection and improved overall survival compared with adults
Authors: Commander Sarah Jane , Cerullo Marcelo , Leraas Harold J. , Reed Christopher R. , Achey Meredith A. , Wachsmuth Lucas P. , Schooler Gary R. , Tracy Elisabeth T. 
Published: March 2021

AbstractBackgroundHepatic vascular malignancies (HVMs) are rare malignancies, with no standardized treatment regimens. The most common HVMs, angiosarcoma and malignant epithelioid hemangioendothelioma (EHE), are often grouped together in the literature complicating our ability to achieve reliable survival data and treatment strategies.ObjectiveTo compare the disease characteristics of HVMs, with a subanalysis on pediatric patients.MethodsThe 2016 National Cancer Database was queried for patients with HVMs using international classification of diseases‐oncology‐3 (ICD‐O‐3) codes yielding 699 patients. Descriptive statistics, chi‐square, Kaplan‐Meier, and log‐rank analyses were performed.ResultsWe found 478 patients (68%) with angiosarcoma and 221 (32%) with EHE. The median (Q1, Q3) age for angiosarcoma patients was 65 years (56, 75) versus 54 years (37, 65) in EHE patients (P < .001). The rate of resection was lower in patients with angiosarcoma than EHE (13% vs 32%, P < .001). The mean 1‐, 3‐, and 5‐year overall survival for angiosarcoma patients was 17%, 8%, and 6%, respectively, versus 80%, 65%, and 62% in EHE patients (P < .0001). A subgroup analysis was performed on pediatric patients demonstrating six with angiosarcoma and 10 with EHE. The mean 1‐, 3‐, and 5‐year overall survival for pediatric angiosarcoma patients was 67%, 50%, and 50%, respectively, and 90%, 90%, and 90% for pediatric EHE patients.ConclusionIn the largest study of HVMs to date, we found angiosarcoma has significantly worse overall survival than EHE. Pediatric patients appear to have improved survival and higher rates of resection. Larger studies of HVMs are needed to clearly differentiate tumor types, standardize care, and improve survivorship.
Moving in together, marriage, and motherhood: A follow up study of relationships in psychiatric patients with personality disorders
Authors: Spangenberg Hanna , Sandholm Sofia , Ramklint Mia , Ramirez Adriana 
Published: March 2021

AbstractBackgroundPersonality disorders (PDs) are related to poor psychosocial function, including fewer relationships with friends and romantic partners.MethodsOne‐hundred eighty‐six psychiatric patients were included in a study cohort in 2002–2003. In 2017, data regarding living arrangements and marital status between 2003 and 2016 were collected for these participants and from a matched control group. Data on birth of first child during the study period were collected for women. The former patients were divided into two groups based on occurrence of PD or not. Groups were compared with each other and with the controls.ResultsThe proportion of participants with PD who lived together with someone did not increase at the same rate as in the other groups. PD was associated with a reduced likelihood of getting married during the study period. Women in the PD group had children to a lower extent than females in the other groups.ConclusionPersonality disorder was associated with an increased likelihood of living alone and being unmarried. Female participants with PD had a decreased likelihood of having children compared with controls. © 2021 The Authors Personality and Mental Health Published by John Wiley & Sons Ltd.
Utilizing circulating free DNA in diagnosing early gastric cancer in a patient with situs inversus totalis: A case report and literature review
Authors: Jian Wang , Huanqiu Chen , Chao Yue 
Published: March 2021

AbstractTo offer a pilot view on the application of cfDNA in diagnosing early gastric cancer in patient with situs inversus totalis (SIT), accompanied by a literature review. Within this study, we assessed the feasibility of diagnosing early gastric cancer in a SIT patient by detecting cfDNA concentration and mutations. Meanwhile, a search through PubMed using key words of “situs inversus totalis and gastric cancer” covering English studies from 2008 to 2019 was carried out to provide an associated literature review. Of all the 24 publications we reviewed, 25 patients were diagnosed with SIT and GC. The majority of them (23/25) were from the eastern Asia area. More than 40% (11/25) of the patients were diagnosed at advanced tumor stages. In the case of an early staged GC in our center, when both radiographic and endoscopic exams failed to establish an accurate diagnose, we found that not only the concentration of cfDNA was above normal, the frequent genetic mutations for GC were also detected within preoperative cfDNA. The concomitance of SIT and GC is still a rare incident, only limited cases have been reported and were often diagnosed in late cancer stages. By measuring the concentration and mutations of cfDNA, early GC may be detected in SIT patients.
Structural and functional study of Legionella pneumophila effector RavA
Authors: Chung Ivy Y. W. , Li Lei , Tyurin Oleg , Gagarinova Alla , Wibawa Raissa , Li Pengfei , Hartland Elizabeth L. , Cygler Miroslaw 
Published: March 2021

AbstractLegionella pneumophila is an intracellular pathogen that causes Legionnaire's disease in humans. This bacterium can be found in freshwater environments as a free‐living organism, but it is also an intracellular parasite of protozoa. Human infection occurs when inhaled aerosolized pathogen comes into contact with the alveolar mucosa and replicates in alveolar macrophages. Legionella enters the host cell by phagocytosis and redirects the Legionella‐containing phagosomes from the phagocytic maturation pathway. These nascent phagosomes fuse with ER‐derived secretory vesicles and membranes forming the Legionella‐containing vacuole. Legionella subverts many host cellular processes by secreting over 300 effector proteins into the host cell via the Dot/Icm type IV secretion system. The cellular function for many Dot/Icm effectors is still unknown. Here, we present a structural and functional study of L. pneumophila effector RavA (Lpg0008). Structural analysis revealed that the RavA consists of four ~85 residue long α‐helical domains with similar folds, which show only a low level of structural similarity to other protein domains. The ~90 residues long C‐terminal segment is predicted to be natively unfolded. We show that during L. pneumophila infection of human cells, RavA localizes to the Golgi apparatus and to the plasma membrane. The same localization is observed when RavA is expressed in human cells. The localization signal resides within the C‐terminal sequence C409WTSFCGLF417. Yeast‐two‐hybrid screen using RavA as bait identified RAB11A as a potential binding partner. RavA is present in L. pneumophila strains but only distant homologs are found in other Legionella species, where the number of repeats varies.