bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pattern and risk factors for distant metastases in gastrointestinal neuroendocrine neoplasms: a population‐based study
Authors: Cai Wen , Tan Yinuo , Ge Weiting , Ding Kefeng , Hu Hanguang 
Published: May 2018

AbstractAn increased incidence of gastrointestinal neuroendocrine neoplasms (GI‐NENs) has been reported worldwide, and metastasis is the leading cause of GI‐NEN‐related death. Studies of different metastatic patterns in patients with different primary sites are limited. A population‐based retrospective cohort study was conducted with the Surveillance, Epidemiology, and End Results (SEER) database. Patients with a GI‐NEN diagnosis between 2010 and 2014 were included. All statistical analyses were performed using Intercooled Stata 12.0 software. There were 12,501 patients eligible for analysis. The metastatic status, primary sites, and histology types affected the patients’ overall survival. The liver was the most common metastasis site (65.21% of patients with metastases). Esophageal NENs had the highest risk of metastasis (49.35%), whereas appendiceal NENs had the lowest risk of metastasis (2.79%). Neuroendocrine carcinomas (NECs) were more likely to develop metastatic disease than were neuroendocrine tumors (NETs); 7.12% of patients with NET and 30.20% of patients with NEC developed metastatic disease. The metastatic patterns varied according to the different primary sites and histology types. NECs had a higher potential to develop extrahepatic metastasis at all primary sites than did NETs. Regarding the choice of treatment, surgical resection of primary lesions lowered the risk of tumor‐specific death (HR = 0.37, CI: 0.30–0.46, P < 0.01), but surgical resection of metastatic sites did not confer an extra survival benefit (HR = 0.82, CI: 0.63–1.06, P = 0.14). Different primary sites and histology types of GI‐NENs have different metastatic patterns and survival. This knowledge could help clinicians to identify patients who require extra surveillance, provide insight for future studies on the mechanisms of metastasis, and establish a prognostic prediction model.
Disparities in breast cancer: a multi‐institutional comparative analysis focusing on American Hispanics
Authors: Nahleh Zeina , Otoukesh Salman , Mirshahidi Hamid Reza , Nguyen Anthony Loc , Nagaraj Gayathri , Botrus Gehan , Badri Nabeel , Diab Nabih , Alvarado Andres , Sanchez Luis A. , Dwivedi Alok K. 
Published: May 2018

AbstractBreast cancer (BC) is the leading cause of cancer death in Hispanic/Latino women nationwide. Hispanic women are more likely to be presented with advanced disease and adverse prognosis subtypes. The aim of this study is to describe the clinico‐ pathological characteristics and disparities in breast cancer in this group at two tertiary care University‐based medical centers. After IRB approval, Cancer registry was used to analyze the variables of 3441 patients with breast cancer diagnosed and treated consecutively at two large tertiary University based medical and cancer center database centers in El Paso, TX and Loma Linda, CA between 2005 and 2015. Association between race/ethnicity and cancer type, stage, hormone receptor status and treatment option were investigated. Overall 45.5% of the patients were Hispanic (n: 1566) and those were more likely to be diagnosed at a younger age (57 years) similar to African Americans, more likely to have invasive ductal carcinoma type (82.7%) & triple negative disease (17.1%, 95%CI: 15% to 19%). 58.8% of Hispanics (95%CI: 56% to 61%) have hormone receptor (HR)+ & HER2− as opposed to 71% in non‐Hispanic White people. In addition, Hispanic individuals presented with advanced stages of BC (25.3%, 95% CI: 23% to 28%) similar to African American (25.4%), and had a lower proportion of lumpectomy (50%) similar to African American (50%). When compared to African American patients, Hispanic patients had a higher prevalence of triple negative BC (17.11% in Hispanics Versus 13.86% in African American). Conclusion: Hispanics had significantly higher relative risk of advanced stages at presentation (Relative Risk Ratio (RRR) = 2.05, P < 0.001), triple negative tumors (RRR = 2.64, P < 0.0001), HER2 + /HR ‐ disease (RRR = 1.77, P < 0.0001), and less HR+ /HER2− BC (RRR = 0.69, P < 0.0001). Hispanics and African Americans are diagnosed with breast cancer at a younger age, have a higher prevalence of Triple negative breast cancer, and are diagnosed at more advanced stages of disease. Increasing awareness and targeting minority populations for health promotion interventions, screening and early detection continue to be of paramount importance to reduce the burden of health disparities.
An Integrated Design with new Metal‐Functionalized Covalent Organic Frameworks for the Effective Electroreduction of CO2
Authors: Yao Cang‐Lang , Li Jian‐Chen , Gao Wang , Jiang Qing 
Published: May 2018

AbstractOne of the long‐standing issues that prohibits large‐scale CO2 reutilization is the low aqueous solubility of CO2 and the incurring inefficient mass transport of CO2. Herein, we suggest a feasible way to promote the CO2 reutilization by integrating the storage and reduction, with a new covalent organic framework (COF) series constituted by cobalt‐phthalocyanine and boronic acid linkers. We find that the porous structure of the cobalt COF is competitive in the CO2 storage and can sustain a high CO2 concentration around the reduction center, whereas the mass transport of CO2 as well as the efficiency of the CO2 reduction is significantly improved. The predicted cobalt COF exhibits an overpotential of 0.27 V and a CO production rate, which is 97.7 times higher than in aqueous solution, for the CO2 reduction. Our work provides a promising candidate for the CO2 reutilization, with valuable insights and an important prototype for future practical design.
Functional Assemblies Emerging in Complex Mixtures of Peptides and Nucleic Acid–Peptide Chimeras
Authors: Chotera Agata , Sadihov Hava , Cohen‐Luria Rivka , Monnard Pierre‐Alain , Ashkenasy Gonen 
Published: May 2018

AbstractStriking synergy between nucleic acids and proteins is exhibited in living cells. Whether such mutual activity can be performed using simple supramolecular nucleic acid–peptide (NA‐pep) architectures remains a mystery. To shed light on this question, we studied the emergence of a primitive synergy in assemblies of short DNA‐peptide chimeras. Specifically, we characterized multiple structures forming along gradual mixing trajectory, in which a peptide solution was seeded with increasing amounts of NA‐pep chimeras. We report on the systematic change from β‐sheet‐peptide‐based fibrillar architectures into the spherical structures formed by the conjugates. Remarkably, we find that through forming onion‐like structures, the conjugates exhibit increased DNA hybridization stability and bind small molecules more efficiently than the peptides or DNA alone. A brief discussion highlights the implications of our findings for the production of new materials and for research on the origin of life.
Synthesis of Polyfunctionalized Triaryllanthanum Reagents by Using Ph3La and Related Species as Exchange Reagents
Authors: Benischke Andreas D. , Anthore‐Dalion Lucile , Kohl Fabien , Knochel Paul 
Published: May 2018

AbstractPh3La⋅5 LiCl and the related (m‐xylyl)3La⋅5 LiCl were used as Hal/La exchange reagents (Hal=Br, I) for the preparation of various triaryl‐ and triheteroaryl‐lanthanum derivatives. These new exchange reagents are compatible with isoquinolines and some functional groups such as a nitrile or an ester. The reactivity of the resulting lanthanum compounds towards electrophiles, such as ketones, aldehydes, N,N‐dimethylamides, and primary alkyl halides was investigated. Additionally, a Pd‐catalyzed cross‐coupling procedure with aryl bromides was developed.
Weinreb Amide Directed Versatile C−H Bond Functionalization under (η5‐Pentamethylcyclopentadienyl)cobalt(III) Catalysis
Authors: Kawai Kentaro , Bunno Youka , Yoshino Tatsuhiko , Matsunaga Shigeki 
Published: May 2018

AbstractThe (η5‐pentamethylcyclopentadienyl)cobalt(III) (Cp*CoIII)‐catalyzed C−H bond functionalization of aromatic, heteroaromatic, and α,β‐unsaturated Weinreb amides was explored. C−H allylation reactions with the use of allyl carbonate and a perfluoroalkene, oxidative alkenylation reactions with the use of ethyl acrylate, iodination reactions with the use of N‐iodosuccinimide, and amidation reactions with the use of dioxazolones were catalyzed by Cp*Co(CO)I2 in the presence of a cationic Ag salt and AgOAc to afford various synthetically useful building blocks. Mechanistic studies of the C−H allylation disclosed that the C−H activation step was rate determining and virtually irreversible.
Co‐Crystals of 2‐Amino‐5‐Nitropyridine Barbital with Extreme Birefringence and Large Second Harmonic Generation Effect
Authors: Gryl Marlena , Seidler Tomasz , Wojnarska Joanna , Stadnicka Katarzyna , Matulková Irena , Němec Ivan , Němec Petr 
Published: May 2018

AbstractTechnological innovation enforces a revolutionized approach towards materials chemistry. In this paper a new methodology towards crystal engineering of polar materials for possible applications in linear or non‐linear optics (NLO), as well as ferroelectric, pyroelectric or piezoelectric crystals is presented. The necessity to fulfil several criteria concerning symmetry, electron properties of the building blocks, and also mechanical and optical stability was achieved by fusion of a pharmaceutical molecule and an NLO‐phore. Co‐crystals of 2‐amino‐5‐nitropyridine barbital, presented in this manuscript, show cutting‐edge optical performance. Large second harmonic generation (SHG) efficiency (40 times better than potassium dihydrogen phosphate, KDP), extreme birefringence (2.7 times higher than for calcite), simplicity in preparation, and optical and mechanical stability of the product proves that in fact a new generation of smart materials was obtained.
Revisiting polarimetry near the isotropic point of an optically active, non‐enantiomorphous, molecular crystal
Authors: Martin Alexander T. , Tan Melissa , Nichols Shane M. , Timothy Emily , Kahr Bart 
Published: May 2018

AbstractAccurate polarimetric measurements of the optical activity of crystals along low symmetry directions are facilitated by isotropic points, frequencies where dispersion curves of eigenrays cross and the linear birefringence disappears. We report here the optical properties and structure of achiral, uniaxial (point group D2d) potassium trihydrogen di‐(cis‐4‐cyclohexene‐1,2‐dicarboxylate) dihydrate, whose isotropic point was previously detected (S. A. Kim, C. Grieswatch, H. Küppers, Zeit. Krist. 1993; 208:219–222) and exploited for a singular measurement of optical activity normal to the optic axis. The crystal structure associated with the aforementioned study was never published. We report it here, confirming the space group assignment I
c2, along with the frequency dependence of the fundamental optical properties and the constitutive tensors by fitting optical dispersion relations to measured Mueller matrix spectra. k‐Space maps of circular birefringence and of the Mueller matrix near the isotropic wavelength are measured and simulated. The signs of optical rotation are correlated with the absolute crystallographic directions.
Isotope chirality in long‐armed multifunctional organosilicon (“Cephalopod”) molecules
Authors: Barabás Béla , Kurdi Róbert , Zucchi Claudia , Pályi Gyula 
Published: May 2018

AbstractLong‐armed multifunctional organosilicon molecules display self‐replicating and self‐perfecting behavior in asymmetric autocatalysis (Soai reaction). Two representatives of this class were studied by statistical methods aiming at determination of probabilities of natural abundance chiral isotopomers.The results, reported here, show an astonishing richness of possibilities of the formation of chiral isotopically substituted derivatives. This feature could serve as a model for the evolution of biological chirality in prebiotic and early biotic stereochemistry.
QM/MM Investigation for Protonation States in a Bilin Reductase PcyA‐Biliverdin IXɑ Complex
Authors: Iijima Eri , Gleeson M. Paul , Unno Masaki , Mori Seiji 
Published: May 2018

AbstractHerein we report quantum mechanical/molecular mechanical (QM/MM) studies to investigate the most probable protonation states of active site amino acids and bound substrate based on a recently reported neutron diffraction structure of phycocyanobilin:ferredoxin oxidoreductase (PcyA) by Unno et al. This structure was considered to be bound in its initial state of biliverdin IXɑ (BV), which has the C‐pyrrole ring in the deprotonated state. The protonation state of BV suggested by neutron and spectroscopic studies is a stable, two‐electron reduced complex with a bound hydronium ion. Several ambiguities in the neutron structure were observed which prompted a further theoretical analysis of the structure. This structural investigation provides new understanding of the PcyA and BV protonation states not previously reported in the literature. Our calculations suggest that the hydronium ion (H3O+) is energetically unfavorable, preferentially protonating the neighboring His88 residue and that the C‐ring of BV is not protonated.
The Orientation of Silver Surfaces Drives the Reactivity and the Selectivity in Homo‐Coupling Reactions
Authors: Kalashnyk Nataliya , Salomon Eric , Mun Sung Hwan , Jung Jaehoon , Giovanelli Luca , Angot Thierry , Dumur Frédéric , Gigmes Didier , Clair Sylvain 
Published: May 2018

AbstractOriginal reaction pathways can be explored in the on‐surface synthesis approach where small aromatic precursors are confined to the surface of single crystal metals. The bis‐indanedione molecule reacted with itself on silver surfaces in different ways, through a Knoevenagel reaction or an oxidative coupling, leading to the formation of a variety of new molecular compounds and covalently‐linked 1D or 2D networks. Noteworthy, original reaction products were obtained that cannot be synthesized in traditional solvent‐based chemistry. The lowest activation temperature for the homo‐coupling reactions was found on the Ag(111) surface. The Ag(110) was highly selective in terms of coupling reaction type, while on Ag(100) the temperature could finely control the selectivity. The on‐surface synthesis approach is shown here to be particularly efficient to produce original compounds in mild conditions, using activation temperatures as low as 200 °C. The different structures were characterized by scanning tunnelling microscopy (STM) together with X‐ray photoelectron emission spectroscopy (XPS) and high‐resolution electron energy loss spectroscopy (HREELS).
Defect Induced Ferromagnetism in Zn/ZnO Interfaces
Authors: Dhingra Mansi , Gupta Rekha , Annapoorni S. 
Published: May 2018

AbstractZn/ZnO interfaces are prepared by thermal evaporation technique. X‐ray diffraction (XRD) and photoluminescence (PL) show the coexistence of both the Zn and ZnO phases which on heat treatment get converted to ZnO. Surface morphologies of the samples are studied using scanning electron microscopy (SEM). It clearly shows formation of granular morphology in pristine sample which gets converted to needle like structures on heating at 500 °C. Magnetic measurements largely hints at the presence of excess Zn in Zn/ZnO interfaces resulting in a ferromagnetic behavior which gradually gets converted to a paramagnetic state on annealing revealing a complete transformation to ZnO. Zinc interstitials lying just below the conduction band forms an impurity state indicates a correlation with magnetic behavior.
Opacity calculations in X and XUV range using a detailed atomic code
Authors: Poirier M. 
Published: May 2018

Calculations of accurate opacities in X and XUV range are of high interest for several domains such as astrophysics or inertial fusion science. Such quantities may be investigated through laser‐plasma interaction in the indirect‐drive scheme. In this work absorption properties of such plasmas are analysed using the Flexible Atomic Code. Detailed and unresolved‐transition‐array modes are investigated, and some results obtained with the mixed mode recently developed are also proposed. For a carbon plasma the present approach agrees with the results obtained with the superconfiguration code SCO. Some results are provided about the X‐ray opacity of nickel, and a comparison with data from a recent campaign on LULI 2000 facility is done. This comparison demonstrates that the Unresolved Transition Array approach may be insufficient, e.g., to determinate the accurate position and shape of the 2p–3d structure in nickel at about 25 eV. The case of non‐electric‐dipole‐type transitions, such as magnetic dipole transitions is addressed. The electric‐dipole and magnetic‐dipole transitions are studied here in the case of the 3 * n complex of five tungsten ions, with charge states similar to those found in the tokamak divertors. It is demonstrated that the unresolved transition array formulas provide a fairly accurate description of the most important absorption structures, but fail to reproduce correctly the behavior of the opacity in the wings of these main structures.
A survey on packet size optimization for terrestrial, underwater, underground, and body area sensor networks
Authors: Yigit Melike , Yildiz H. Ugur , Kurt Sinan , Tavli Bulent , Gungor V. Cagri 
Published: May 2018

SummaryPacket size optimization is a critical issue in wireless sensor networks (WSNs) for improving many performance metrics (eg, network lifetime, delay, throughput, and reliability). In WSNs, longer packets may experience higher loss rates due to harsh channel conditions. On the other hand, shorter packets may suffer from greater overhead. Hence, the optimal packet size must be chosen to enhance various performance metrics of WSNs. To this end, many approaches have been proposed to determine the optimum packet size in WSNs. In the literature, packet size optimization studies focus on a specific application or deployment environment. However, there is no comprehensive and recent survey paper that categorizes these different approaches. To address this need, in this paper, recent studies and techniques on data packet size optimization for terrestrial WSNs, underwater WSNs, wireless underground sensor networks, and body area sensor networks are reviewed to motivate the research community to further investigate this promising research area. The main objective of this paper is to provide a better understanding of different packet size optimization approaches used in different types of sensor networks and applications as well as introduce open research issues and challenges in this area.
On scalability of physical layer network coding with modulo‐sum mapping overN‐way relay channels
Authors: Khosroazad Somayeh , Abedi Ali , Neda Naaser 
Published: May 2018

SummaryIn this manuscript, fundamental limits of physical layer network coding with modulo‐sum mapping (to avoid of large cardinality), in terms of the number of superimposed signals that still render an acceptable probability of error, are studied. It is expected that (1) for a given bit error rate or throughput, an upper bound on the number of superimposed signals may exist and (2) if a large network is considered as a set of small subnetworks, and the proposed network code is used in each subnetwork, a significant increase in network throughput can be achieved. Answering these questions sheds light on the scalability of multiuser physical layer network coding with bit error rate or throughput constraints. Theoretical calculations, as well as simulation results, indicate the extraction of network coded signal from more than 2 (which is special case known as 2‐way relay channel) superimposed signals can be practical and lucrative.
Giving priority to preclinical pain measures resistant to existing drugs for developing innovative analgesics
Authors: Nagakura Yukinori 
Published: May 2018

Abstract

Preclinical Research & Development

Chronic pain is a major health and socioeconomic burden because of its high prevalence, negative influence on patients’ physical and/or emotional conditions, and huge costs to society. The responses of chronic pain patients to analgesic therapies vary substantially from individual to individual, and no more than a minority of chronic pain patients with various etiologies such as neuropathy and inflammation are, in fact, successfully relieved by existing drugs including opioid analgesics, nonopioid analgesics, antiepileptics, and antidepressants. The large primary unmet medical need would therefore be the patient domain that does not respond well to existing drugs. Accordingly, the expected profile for innovative analgesics would not be efficacy in the responder patient domain, but significant efficacy in patients with existing drug‐resistant chronic pain. Meanwhile, the current gold standard in preclinical pain measures for the screening of analgesic candidates is existing drug‐sensitive pain measures in animal models of chronic pain. Analgesic candidates screened using such preclinical pain measures during the last decades have been far from fulfilling the expected profile for innovative analgesics. Given that it is unlikely that such existing drug‐sensitive pain measures are the best approach to developing innovative analgesics, one of the other approaches would be giving priority to existing drug‐resistant pain measures in preclinical research. This review introduces potentially applicable existing drug‐resistant pain measures published so far and suggests that the use of them would lead to the development of innovative analgesics.
The moderating role of self‐compassion on weight and shape concerns and eating pathology: A longitudinal study
Authors: Stutts Lauren A. , Blomquist Kerstin K. 
Published: May 2018

AbstractObjectiveThe present study employed a longitudinal design to examine the moderating role of self‐compassion in the relationship between weight/shape concerns and the outcomes of eating pathology and stress in a diverse college student population.MethodParticipants were 765 students who completed measures of self‐compassion, weight/shape concerns, eating pathology, and stress over their first 2 years of college. We tested whether self‐compassion attenuated the relation between weight/shape concerns at the beginning of college and eating pathology, and stress later in college.ResultsFor the first year of college, self‐compassion significantly moderated the relationship of weight/shape concerns and eating pathology. For participants who were low in self‐compassion, there was a stronger relationship between weight/shape concerns and disordered eating; whereas, for individuals high in self‐compassion, there was a weaker relationship between weight/shape concerns and disordered eating. However, these findings did not replicate for the second year of college. Self‐compassion also significantly moderated the relationship between weight/shape concerns and stress for the first year of college, though the relationship was complex and warrants further research.DiscussionOur findings suggest that high self‐compassion may reduce the likelihood that undergraduate students with weight/shape concerns will engage in disordered eating behavior in the first year of college. They also highlight the influence of self‐compassion on general stress.