bluuebunny/crossref_metadata_2025_split huggingface dataset:
Further Evidence for ‘Extended’ Cumulene Complexes: Derivatives from Reactions with Halide Anions and Water
Authors: Hall Michael R. , Steen Rachel R. , Korb Marcus , Sobolev Alexandre N. , Moggach Stephen A. , Lynam Jason M. , Low Paul J. 
Published: February 2020

AbstractReactions of [Ru{C=C(H)‐1,4‐C6H4C≡CH}(PPh3)2Cp]BF4 ([1 a]BF4) with hydrohalic acids, HX, results in the formation of [Ru{C≡C‐1,4‐C6H4‐C(X)=CH2}(PPh3)2Cp] [X=Cl (2 a‐Cl), Br (2 a‐Br)], arising from facile Markovnikov addition of halide anions to the putative quinoidal cumulene cation [Ru(=C=C=C6H4=C=CH2)(PPh3)2Cp]+. Similarly, [M{C=C(H)‐1,4‐C6H4‐C≡CH}(LL)Cp ]BF4 [M(LL)Cp’=Ru(PPh3)2Cp ([1 a]BF4); Ru(dppe)Cp* ([1 b]BF4); Fe(dppe)Cp ([1 c]BF4); Fe(dppe)Cp* ([1 d]BF4)] react with H+/H2O to give the acyl‐functionalised phenylacetylide complexes [M{C≡C‐1,4‐C6H4‐C(=O)CH3}(LL)Cp’] (3 a–d) after workup. The Markovnikov addition of the nucleophile to the remote alkyne in the cations [1 a–d]+ is difficult to rationalise from the vinylidene form of the precursor and is much more satisfactorily explained from initial isomerisation to the quinoidal cumulene complexes [M(=C=C=C6H4=C=CH2)(LL)Cp’]+ prior to attack at the more exposed, remote quaternary carbon. Thus, whilst representative acetylide complexes [Ru(C≡C‐1,4‐C6H4‐C≡CH)(PPh3)2Cp] (4 a) and [Ru(C≡C‐1,4‐C6H4‐C≡CH)(dppe)Cp*] (4 b) reacted with the relatively small electrophiles [CN]+ and [C7H7]+ at the β‐carbon to give the expected vinylidene complexes, the bulky trityl ([CPh3]+) electrophile reacted with [M(C≡C‐1,4‐C6H4‐C≡CH)(LL)Cp’] [M(LL)Cp’=Ru(PPh3)2Cp (4 a); Ru(dppe)Cp* (4 b); Fe(dppe)Cp (4 c); Fe(dppe)Cp* (4 d)] at the more exposed remote end of the carbon‐rich ligand to give the putative quinoidal cumulene complexes [M{C=C=C6H4=C=C(H)CPh3}(LL)Cp’]+, which were isolated as the water adducts [M{C≡C‐1,4‐C6H4‐C(=O)CH2CPh3}(LL)Cp’] (6 a–d). Evincing the scope of the formation of such extended cumulenes from ethynyl‐substituted arylvinylene precursors, the rather reactive half‐sandwich (5‐ethynyl‐2‐thienyl)vinylidene complexes [M{C=C(H)‐2,5‐cC4H2S‐C≡CH}(LL)Cp’]BF4 ([7 a–d]BF4 add water readily to give [M{C≡C‐2,5‐cC4H2S‐C(=O)CH3}(LL)Cp’] (8 a–d)].
Probing the Electrostatic Barrier of Tetrathiafulvalene Dications using a Tetra‐stable Donor–Acceptor [2]Rotaxane
Authors: Jensen Morten , Kristensen Rikke , Andersen Sissel S. , Bendixen Dan , Jeppesen Jan O. 
Published: February 2020

AbstractA tetra‐stable donor–acceptor [2]rotaxane1⋅4PF6has been synthesized. The dumbbell component is comprised of an oxyphenylene (OP), a tetrathiafulvalene (TTF), a monopyrrolo‐TTF (MPTTF), and a hydroquinone (HQ) unit, which can act as recognition sites (stations) for the tetra‐cationic cyclophane cyclobis(paraquat‐p‐phenylene) (CBPQT4+). The TTF and the MPTTF stations are located in the middle of the dumbbell component and are connected by a triethylene glycol (TEG) chain in such a way that the pyrrole moiety of the MPTTF station points toward the TTF station, while the TTF and MPTTF stations are flanked by the OP and HQ stations on their left hand side and right hand side, respectively. The [2]rotaxane was characterized in solution by1H NMR spectroscopy and cyclic voltammetry. The spectroscopic data revealed that the majority (77 %) of the tetra‐stable [2]rotaxane14+exist as the translational isomer1⋅MPTTF4+in which the CBPQT4+ring encircles the MPTTF station. The electrochemical studies showed that CBPQT4+in1⋅MPTTF4+undergoes ring translation as result of electrostatic repulsion from the oxidized MPTTF unit. Following tetra‐oxidation of1⋅MPTTF4+, a high‐energy state of18+was obtained (i.e.,1⋅TEG8+) in which the CBPQT4+ring was located on the TEG linker connecting the di‐oxidized TTF2+and MPTTF2+units.1H NMR spectroscopy carried out in CD3CN at 298 K on a chemically oxidized sample of1⋅MPTTF4+revealed that the metastable state1⋅TEG8+is only short‐lived with a lifetime of a few minutes and it was found that 70 % of the positively charged CBPQT4+ring moved from1⋅TEG8+to the HQ station, while 30 % moved to the much weaker OP station. These results clearly demonstrate that the CBPQT4+ring can cross both an MPTTF2+and a TTF2+electrostatic barrier and that the free energy of activation required to cross MPTTF2+is ca. 0.5 kcal mol−1smaller as compared to TTF2+.
Outcomes of rituximab‐BEAM versus BEAM conditioning regimen in patients with diffuse large B cell lymphoma undergoing autologous transplantation
Authors: Jagadeesh Deepa , Majhail Navneet S. , He Yizeng , Ahn Kwang W. , Litovich Carlos , Ahmed Sairah , Aljurf Mahmoud , Bacher Ulrike , Badawy Sherif M. , Bejanyan Nelli , Cairo Mitchell , Cerny Jan , Epperla Narendranath , Farhadfar Nosha , Freytes César O. , Gale Robert Peter , Haverkos Bradley , Hossain Nasheed , Inwards David , Kamble Rammurti T. , Kenkre Vaishalee P. , Lazarus Hillard M. , Lazaryan Aleksandr , Lekakis Lazaros , Mei Matthew , Murthy Hemant S. , Mussetti Alberto , Nathan Sunita , Nishihori Taiga , Olsson Richard F. , Ramakrishnan Geethakumari Praveen , Savani Bipin N. , Yared Jean A. , Fenske Timothy S. , Kharfan‐Dabaja Mohamed A. , Sureda Anna , Hamadani Mehdi 
Published: February 2020

BackgroundAlthough rituximab‐based high‐dose therapy is frequently used in diffuse large B cell lymphoma (DLBCL) patients undergoing autologous hematopoietic cell transplantation (auto‐HCT), data supporting the benefits are not available. Herein, we report the impact of rituximab‐based conditioning on auto‐HCT outcomes in patients who have DLBCL.MethodsUsing the Center for International Blood and Marrow Transplant Research (CIBMTR) registry, 862 adult DLBCL patients undergoing auto‐HCT between 2003 and 2017 using BEAM (BCNU, etoposide, cytarabine, melphalan) conditioning regimen were included. All patients received frontline rituximab‐containing chemoimmunotherapy and had chemosensitive disease pre‐HCT. Early chemoimmunotherapy failure was defined as not achieving complete remission (CR) after frontline chemoimmunotherapy or relapse within 1 year of initial diagnosis. The primary outcome was overall survival (OS).ResultsThe study cohort was divided into 2 groups: BEAM (n = 667) and R‐BEAM (n = 195). On multivariate analysis, no significant difference was seen in OS (P = .83) or progression‐free survival (PFS) (P = .61) across the 2 cohorts. No significant association between the use of rituximab and risk of relapse (P = .15) or nonrelapse mortality (P = .12) was observed. Variables independently associated with lower OS included older age at auto‐HCT (P < .001), absence of CR at auto‐HCT (P < .001) and early chemoimmunotherapy failure (P < .001). Older age (P < .0002) and non‐CR pre‐HCT (P < .0001) were also associated with inferior PFS. There was no significant difference in early infectious complications between the 2 cohorts.ConclusionIn this large registry analysis of DLBCL patients undergoing auto‐HCT, the addition of rituximab to the BEAM conditioning regimen had no impact on transplantation outcomes. Older age, absence of CR pre auto‐HCT, and early chemoimmunotherapy failure were associated with inferior survival.
Latest advances in parallel, distributed, and network‐based processing
Authors: Merelli Ivan , Liò Pietro , Kotenko Igor , D'Agostino Daniele 
Published: February 2020

AbstractThis editorial introduces the articles selected for the special issue concerning the International Conferences on Parallel, Distributed, and Network‐Based Processing, which provided insights related to the efficient exploitation of parallel and distributed architectures, including power‐aware computing, application scheduling, and application development for GPUs.
Back and to the Future: From Neurotoxin‐Induced to Human Parkinson's Disease Models
Authors: Airavaara Mikko , Parkkinen Ilmari , Konovalova Julia , Albert Katrina , Chmielarz Piotr , Domanskyi Andrii 
Published: February 2020

AbstractParkinson's disease (PD) is an age‐related neurodegenerative disorder characterized by motor symptoms such as tremor, slowness of movement, rigidity, and postural instability, as well as non‐motor features like sleep disturbances, loss of ability to smell, depression, constipation, and pain. Motor symptoms are caused by depletion of dopamine in the striatum due to the progressive loss of dopamine neurons in the substantia nigra pars compacta. Approximately 10% of PD cases are familial arising from genetic mutations in α‐synuclein, LRRK2, DJ‐1, PINK1, parkin, and several other proteins. The majority of PD cases are, however, idiopathic, i.e., having no clear etiology. PD is characterized by progressive accumulation of insoluble inclusions, known as Lewy bodies, mostly composed of α‐synuclein and membrane components. The cause of PD is currently attributed to cellular proteostasis deregulation and mitochondrial dysfunction, which are likely interdependent. In addition, neuroinflammation is present in brains of PD patients, but whether it is the cause or consequence of neurodegeneration remains to be studied. Rodents do not develop PD or PD‐like motor symptoms spontaneously; however, neurotoxins, genetic mutations, viral vector‐mediated transgene expression and, recently, injections of misfolded α‐synuclein have been successfully utilized to model certain aspects of the disease. Here, we critically review the advantages and drawbacks of rodent PD models and discuss approaches to advance pre‐clinical PD research towards successful disease‐modifying therapy. © 2020 The Authors.
Vegetation structure and ground cover attributes describe the occurrence of a newly discovered carnivorous marsupial on the Tweed Shield Volcano caldera, the endangered black‐tailed dusky antechinus (Antechinus arktos)
Authors: Riordan Caitlin E. , Pearce Coral , McDonald Bill J. F. , Gynther Ian , Baker Andrew M. 
Published: February 2020

AbstractThe black‐tailed dusky antechinus (Antechinus arktos) is a recently discovered, endangered, carnivorous marsupial mammal endemic to the Tweed Shield Volcano caldera, straddling the border between Queensland and New South Wales in eastern Australia. The species' preference for cool, high‐altitude habitats makes it particularly vulnerable to a shifting climate as these habitats recede. Aside from basic breeding and dietary patterns, the species' ecology is largely unknown. Understanding fine‐scale habitat attributes preferred by this endangered mammal is critical to employ successful conservation management. Here, we assess vegetation attributes of known habitats over three sites at Springbrook and Border Ranges National Parks, including detailed structure data and broad floristic assessment.Floristic compositional assessment of the high‐altitude cloud rainforest indicated broad similarities. However, only 22% of plant species were shared between all sites indicating a high level of local endemism. This suggests a diverse assemblage of vegetation across A. arktos habitats.Habitat characteristics were related to capture records of A. arktos to determine potential fine‐scale structural habitat requirements. Percentage of rock cover and leaf litter were the strongest predictors of A. arktos captures across survey sites, suggesting a need for foraging substrate and cover. Habitat characteristics described here will inform predictive species distribution models of this federally endangered species and are applicable to other mammal conservation programs.
Fish life history trends indicate increasing flow stochasticity in an unregulated river
Authors: Hitt Nathaniel P. , Rogers Karli M. , Kelly Zachary A. , Henesy Josh , Mullican John E. 
Published: February 2020

AbstractLife history theory provides a framework to understand environmental change based on species traits that capitalize on stable, predictable, or stochastic environmental conditions. We evaluated life history strategies and temporal trends in abundance from 1975 to 2017 for 28 fish species within the Potomac River of eastern North America. Multivariate analysis identified life history strategies defined by small‐bodied species with extended spawning seasons and early maturation (opportunistic strategists), large‐bodied species with delayed maturation and long lifespans (periodic strategists), and intermediate‐sized species exhibiting parental care (equilibrium strategists). Linear mixed models detected temporal trends in abundance for 13 species (46%), of which nine increased and four decreased over time. Increasing species were characterized by opportunistic life history strategies (e.g., banded killifish, Fundulus diaphanous; mosquito fish, Gambusia holbrooki), whereas decreasing species were characterized by periodic or equilibrium strategies (e.g., smallmouth bass, Micropterus dolomieu; river chub, Nocomis micropogon). Recent introductions can account for temporal increases in some cases, but most increasing species are native to the study area. Observed increases in opportunistic native species and decreases in periodic and equilibrium species indicate that environmental conditions have become less stable and less predictable over time, consistent with observed increases in spring peak flows in the study area. Our study indicates the importance of environmental stochasticity for fish community responses to land use and climate change and demonstrates the utility of life history theory in this regard.
Prevalence of elevated liver enzymes and its association with type 2 diabetes: A cross‐sectional study in Bangladeshi adults
Authors: Islam Shiful , Rahman Sadaqur , Haque Tangigul , Sumon Abu Hasan , Ahmed AZ Mahbub , Ali Nurshad 
Published: February 2020

AbstractBackgroundType 2 diabetes (T2D) is a major public health concern affecting millions of people worldwide. The relationship between liver enzymes and T2D has been reported in limited studies; however, there is still a lack of evidence for the Bangladeshi population. This study aimed to evaluate the prevalence of elevated liver enzymes and examine its association with the prevalence of T2D in Bangladeshi adults.MethodsA total of 270 individuals (110 diabetic and 160 nondiabetic) were enrolled in the study. Alanine and aspartate aminotransferase (ALT, AST), alkaline phosphatase (ALP) and γ‐glutamyltransferase (GGT) activities were measured in blood serum collected from them. T2D was defined as fasting blood glucose (FBG) ≥126 mg/dL or self‐reported recent use of insulin or antidiabetic medications. Association between liver enzymes and T2D was evaluated by multinomial logistic regression analysis.ResultsOverall, 61.2% of participants in T2D and 37.1% of participants in the nondiabetes group had at least one or more elevated liver enzymes. The mean concentrations of serum ALT, AST, ALP and GGT were significantly higher in the T2D group compared to the nondiabetes group. The prevalence of elevated liver enzymes was significantly higher in the diabetes group compared to the nondiabetes group (P < .01). In regression analysis, serum GGT activity showed an independent association with the prevalence of T2D.ConclusionsA high prevalence of elevated liver enzymes was observed in subjects having diabetes. Increased serum GGT activity was independently associated with the prevalence of T2D among Bangladeshi adults. More studies of this nature should be carried out in developing countries to get proper insights into the involvement of liver enzymes in T2D.
An integrated smoothed particle hydrodynamics model for complex interfacial flows with large density ratios
Authors: Zhu G. X. , Zou L. 
Published: February 2020

AbstractIn this paper, an integrated smoothed particle hydrodynamics (SPH) model for complex interfacial flows with large density ratios is developed. The discrete continuity equation and acceleration equation are obtained by considering the time derivative of the volume of particle and Eckart's continuum Lagrangian equation. A continuum surface force model is used to meet the fact that surface force may not be distributed uniformly on each side of the interface. An improved boundary condition is imposed to model wall free‐slip and no‐slip condition for interfacial flows with large density ratios. Particle shifting algorithm (PSA) is added for interfacial flows by imposing the normal correction near the interface, called as Interface‐PSA. Then four representative numerical examples, including droplet deformation, Rayleigh‐Taylor instability, dam breaking, and bubble rising, are presented and compared well with reference data. It is demonstrated that inherent interfacial flow physics can be well captured, including surface tension and the dynamic evolution of the complex interfaces.
An adaptive moving finite element method for steady low Mach number compressible combustion problems
Authors: Sun Zhen , Braack Malte , Lang Jens 
Published: February 2020

SummaryThis work surveys an r‐adaptive moving mesh finite element method for the numerical solution of premixed laminar flame problems. Since the model of chemically reacting flow involves many different modes with diverse length scales, the computation of such a problem is often extremely time‐consuming. Importantly, to capture the significant characteristics of the flame structure when using detailed chemistry, a much more stringent requirement on the spatial resolution of the interior layers of some intermediate species is necessary. Here, we propose a moving mesh method in which the mesh is obtained from the solution of so‐called moving mesh partial differential equations. Such equations result from the variational formulation of a minimization problem for a given target functional that characterizes the inherent difficulty in the numerical approximation of the underlying physical equations. Adaptive mesh movement has emerged as an area of intense research in mesh adaptation in the last decade. With this approach, points are only allowed to be shifted in space leaving the topology of the grid unchanged. In contrast to methods with local refinement, data structure hence is unchanged and load balancing is not an issue as grid points remain on the processor where they are. We will demonstrate the high potential of moving mesh methods for effectively optimizing the distribution of grid points to reach the required resolution for chemically reacting flows with extremely thin boundary layers.
Power calculation for the general two‐sample Mendelian randomization analysis
Authors: Deng Lu , Zhang Han , Yu Kai 
Published: February 2020

AbstractMendelian randomization (MR) study has become a powerful approach to assess the potential causal effect of a risk exposure on an outcome. Most current MR studies are conducted under the two‐sample setting by combining summary data from two separate genome‐wide association studies (GWAS), with one providing measures on associations between genetic markers and the risk exposure, and the other on associations between genetic markers and the outcome. We develop a power calculation procedure for the general two‐sample MR study, allowing for the use of multiple genetic markers, and shared participants between the two GWAS. This procedure requires a few easy‐to‐interpret parameters and is validated through extensive simulation studies.
Prognostic value of epithelial‐mesenchymal transition‐inducing transcription factors in head and neck squamous cell carcinoma: A meta‐analysis
Authors: Wan Yuehan , Liu Haichao , Zhang Ming , Huang Zhengxian , Zhou Han , Zhu Yue , Tao Yifan , Xie Nan , Liu Xiqiang , Hou Jinsong , Wang Cheng 
Published: February 2020

AbstractEpithelial‐mesenchymal transition (EMT) plays a critical role in cancer progression and is primarily regulated by several EMT‐inducing transcription factors (EMT‐TFs), including TWIST1, TWIST2, SNAI1, SNAI2, ZEB1, and ZEB2. However, the prognostic value of EMT‐TFs remains controversial in head and neck squamous cell carcinoma (HNSCC). Studies on the prognostic role of EMT‐TFs in HNSCC were searched for in the Web of Science, Science Direct, Proquest, EMBASE, PubMed, and Cochrane Library. Meta‐analysis was performed by using Revman 5.2 software. The pooled analysis showed that overexpression of EMT‐TFs indicated a poor overall survival (OS) (HR = 1.93, 95% CI = 1.67‐2.23) of HNSCC. Subgroup analysis for individual EMT‐TFs revealed that overexpression of TWIST1 (HR = 1.61, 95% CI = 1.29‐2.02), SNAI1 (HR = 2.17, 95% CI = 1.63‐2.88), SNAI2 (HR = 1.90, 95% CI = 1.38‐2.62), and ZEB1 (HR = 2.70, 95% CI = 1.61‐4.53) were significantly associated with poor OS of HNSCC. These findings support the hypothesis that overexpression of EMT‐TFs indicates a poor prognosis for HNSCC patients.
Dividend announcements signaling role in financial reporting certification
Authors: Akron Sagi , Barak Ronen , Taussig Roi D. 
Published: February 2020

AbstractThis paper demonstrates a crucial signaling role for dividend announcements in the certification of corporate financial reporting. In light of the great financial reporting scandals of the 2000s, we adjust a price‐diffusion model to asymmetric information friction, such that first‐stage unexpected earnings announcements are conditionally absorbed by the market, depending on the corporate governance—level of the firm's transparency. In the second stage, the firm undertakes a complement dividend announcement‐signaling act, certifying the first‐stage earnings surprise announcement, in light of the firm's transparency. We conjecture theoretically and confirm empirically that the dividend announcement's cumulative abnormal return (CAR) is negatively and statistically significant, depending on the interaction between the unexpected earnings announcement's magnitude and the corporate transparency level. Hence, the study demonstrates a key role of dividend announcement, signaling the market about the initial financial reporting credibility. Specifically, low transparency level firms are incentivized to certify their preliminary financial reporting by dividend announcements, to alleviate the market hesitant absorption of their positive earnings surprise.
ROR2 promotes the epithelial‐mesenchymal transition by regulating MAPK/p38 signaling pathway in breast cancer
Authors: Xu Jin , Shi Junfeng , Tang Weiwei , Jiang Peng , Guo Muhong , Zhang Bin , Ma Ge 
Published: February 2020

AbstractReceptor tyrosine kinase‐like orphan receptor 2 (ROR2) is a tyrosine‐protein kinase receptor highly implicated in the growth plate and cartilage development, which may be involved in epithelial‐mesenchymal transition (EMT) in breast cancer (BC) cells. Although ROR2 is known to promote the migration of BC cells, the detailed mechanism of this event is still not clear. Here, we found that ROR2 expression was significantly increased in BC lymphatic metastatic tissue as well as BC samples compared to normal adjacent breast tissues. A higher expression of ROR2 in MDA‐MB‐231 and a lower expression of ROR2 in MCF‐7 cells were observed. MDA‐MB‐231‐siROR2 cells with ROR2 knockdown inhibited MDA‐MB‐231 cell invasion, migration, and clonal formation, while MCF‐7‐OvROR2 cells with overexpression showed the opposite results. The underlying mechanisms involved in ROR2‐induced EMT in MDA‐MB‐231 and MCF‐7 cells were further investigated. ROR2 may activate EMT progression in BC cells by altering MAPK kinase 3/6 (MKK3/6) expression. The expressions of transforming growth factor‐β, matrix metalloproteinase‐2 (MMP‐2), and MMP‐9, which were related to tumor cell invasion activities, were notably increased in MCF‐7‐OvROR2 cells. The EMT markers, including snail, N‐cadherin, tissue inhibitor of metalloproteinases‐1, and vimentin, were significantly upregulated in MCF‐7‐OvROR2 cells. On the contrary, E‐cadherin was obviously reduced expressed in MCF‐7‐OvROR2 cells. ROR2 may regulate the malignant phenotype of BC cells possibly via activation of mitogen‐activated protein kinase (MAPK)/p38 signaling pathway. Collectively, ROR2 promotes BC carcinogenesis by mediating the MAPK/p38 pathway, which is independent of Wnt5α.