bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemical components of plastics as endocrine disruptors: Overview and commentary
Authors: Darbre Philippa D. 
Published: July 2020

AbstractBisphenol A and phthalate esters are used as additives in the manufacture of plastic materials, but their ability to leach out with age and heat has resulted in their becoming ubiquitous contaminants of the ecosystem including within human body tissues. Over recent years, these compounds have been shown to possess endocrine disrupting properties with an ability to interfere in the actions of many hormones and to contribute to human health problems. Much of the reported disruptive activity has been in relation to the action of estrogens, androgens, and thyroid hormones, and concerns have been raised for adverse consequences on female and male reproductive health, thyroid function, metabolic alterations, brain development/function, immune responses, and development of cancers in hormone‐sensitive tissues. A recurring theme throughout seems to be that there are windows of susceptibility to exposure in utero and in early postnatal life, which may then result in disease in later life without any need for further exposure. This commentary highlights key issues in a historical context and raises questions regarding the many data gaps.
Driving Protein Conformational Cycles in Physiology and Disease: “Frustrated” Amino Acid Interaction Networks Define Dynamic Energy Landscapes
Authors: D'Amico Rebecca N. , Murray Alec M. , Boehr David D. 
Published: July 2020

AbstractA general framework by which dynamic interactions within a protein will promote the necessary series of structural changes, or “conformational cycle,” required for function is proposed. It is suggested that the free‐energy landscape of a protein is biased toward this conformational cycle. Fluctuations into higher energy, although thermally accessible, conformations drive the conformational cycle forward. The amino acid interaction network is defined as those intraprotein interactions that contribute most to the free‐energy landscape. Some network connections are consistent in every structural state, while others periodically change their interaction strength according to the conformational cycle. It is reviewed here that structural transitions change these periodic network connections, which then predisposes the protein toward the next set of network changes, and hence the next structural change. These concepts are illustrated by recent work on tryptophan synthase. Disruption of these dynamic connections may lead to aberrant protein function and disease states.
Analysis of severity and preventability in patients of—Toxic epidermal necrolysis—A case series
Authors: Ciddhavaduta Deepa Latha , Kalaiselvan Vivekanandan , Midde Madhavi Latha , Baloju Deepika 
Published: July 2020

AbstractSJS‐TEN is life‐threatening autoimmune disorder triggered due to drugs such as analgesics, antibiotics, anticonvulsants, and antipsychotics. This report provides awareness to the Clinicians regarding prescription of drugs which cause SJS‐TEN. Among young females of 20‐40 years, screening for previous history, issuing drug alert cards, and preventing OTC prescriptions decreases mortality.
Structural Deterioration of Well‐Faceted MOFs upon H2S Exposure and Its Effect in the Adsorption Performance
Authors: Reljic Snezana , Broto‐Ribas Anna , Cuadrado‐Collados Carlos , Jardim Erika O. , Maspoch Daniel , Imaz Inhar , Silvestre‐Albero Joaquin 
Published: July 2020

AbstractThe structural deterioration of archetypical, well‐faceted metal–organic frameworks (MOFs) has been evaluated upon exposure to an acidic environment (H2S). Experimental results show that the structural damage highly depends on the nature of the hybrid network (e.g., softness of the metal ions, hydrophilic properties, among others) and the crystallographic orientation of the exposed facets. Microscopy images show that HKUST‐1 with well‐defined octahedral (111) facets is completely deteriorated, ZIF‐8 with preferentially exposed (110) facets exhibits a large external deterioration with the development of holes or cavities in the mesoporous range, whereas UiO‐66‐NH2 with (111) exposed facets, and PCN‐250 with (100) facets does not reflect any sign of surface damage. Despite the selectivity in the external deterioration, X‐ray diffraction and gas adsorption measurements confirm that indeed all MOFs suffer an important internal deterioration, these effects being more severe for MOFs based on softer cations (e.g., Cu‐based HKUST‐1 and Fe‐based PCN‐250). These structural changes have inevitable important effects in the final adsorption performance for CO2 and CH4 at low and high pressures.
Impact of Molecular Size and Shape on the Supramolecular Co‐Assembly of Chiral Tricarboxamides: A Comparative Study
Authors: Dorca Yeray , Sánchez‐Naya Roberto , Cerdá Jesús , Calbo Joaquín , Aragó Juan , Gómez Rafael , Ortí Enrique , Sánchez Luis 
Published: July 2020

AbstractA comparative investigation of the chiral amplification features of a series of three families of C3‐symmetric tricarboxamides, 1,3,5‐triphenylbenzenetricarboxamides (TPBAs), benzenetricarboxamides (BTAs) and oligo(phenylene ethynylene) tricarboxamides (OPE‐TAs), is here reported. As previously observed for BTAs and OPE‐TAs, a similar dichroic response is obtained for TPBAs decorated with one, two or three chiral side chains bearing stereogenic centers, thus confirming the efficient transfer of point chirality to the supramolecular helical aggregates. Unlike BTAs and OPE‐TAs, the chiral amplification ability of TPBAs in majority rules experiments shows a negligible dependence on the number of chiral centers per monomeric unit, and stands the largest among the series of tricarboxamides. Detailed experimental and theoretical studies demonstrate that the rotation angle between the TPBA units in the helical stack is intermediate to that observed for BTAs and OPE‐TAs. This feature strongly conditions the steric interactions between vicinal molecules in the stack and the final chiral amplification outcome. Furthermore, theoretical calculations show that achiral side chains favor the interdigitation of the helical aggregates and thereby the formation of bundle superstructures.
N‐Heterocyclic Carbene Analogues of Nucleophilic Phosphinidene Transition Metal Complexes
Authors: Doddi Adinarayana , Bockfeld Dirk , Bannenberg Thomas , Tamm Matthias 
Published: July 2020

AbstractChloride abstraction from the complexes [(η6‐p‐cymene){(IDipp)P}MCl] (2 a, M=Ru; 2 b, M=Os) and [(η5‐C5Me5){(IDipp)P}IrCl] (3 b, IDipp=1,3‐bis(2,6‐diisopropylphenyl)imidazolin‐2‐ylidene) with sodium tetrakis[3,5‐bis(trifluoromethyl)phenyl]borate (NaBArF) in the presence of trimethylphosphine (PMe3), 1,3,4,5‐tetramethylimidazolin‐2‐ylidene (MeIMe) or carbon monoxide (CO) afforded the complexes [(η6‐p‐cymene){(IDipp)P}M(PMe3)]BArF] (4 a, M=Ru; 4 b, M=Os), [(η6‐p‐cymene){(IDipp)P}Os(MeIMe)]BArF] (5) and [(η5‐C5Me5){(IDipp)P}IrL][BArF] (6, L=PMe3; 7, L=MeIMe; 8, L=CO). These cationic N‐heterocyclic carbene‐phosphinidene complexes feature very similar structural and spectroscopic properties as prototypic nucleophilic arylphosphinidene complexes such as low‐field 31P NMR resonances and short metal‐phosphorus double bonds. Density functional theory (DFT) calculations reveal that the metal‐phosphorus bond can be described in terms of an interaction between a triplet [(IDipp)P]+ cation and a triplet metal complex fragment ligand with highly covalent σ‐ and π‐contributions. Crystals of the C−H activated complex 9 were isolated from solutions containing the PMe3 complex, and its formation can be rationalized by PMe3 dissociation and formation of a putative 16‐electron intermediate [(η5‐C5Me5)Ir{P(IDipp)}I][BArF], which undergoes C−H activation at one of the Dipp isopropyl groups and addition along the iridium‐phosphorus bond to afford an unusual η3‐benzyl coordination mode.
Bis‐Anthracene Fused Porphyrin as an Efficient Photocatalyst: Facile Synthesis and Visible‐Light‐Driven Oxidative Coupling of Amines
Authors: Zhang Pengfei , Yu Chunyang , Yin Yucheng , Droste Jörn , Klabunde Sina , Hansen Michael Ryan , Mai Yiyong 
Published: July 2020

AbstractDevelopment of high‐performance photocatalysts for the conversion of amines is of great importance, but has remained a challenging task. Here, a bis‐anthracene fused porphyrin (AFP) was synthesized in a high yield by a facile synthetic protocol, which involves a Suzuki coupling for the conjugation of two anthracene groups with a porphyrin ring, followed by oxidative cyclodehydrogenation. When serving as a photocatalyst, AFP exhibits an outstanding photocatalytic performance for the visible‐light‐induced aerobic oxidation of amines to imines at ambient conditions. Density functional theory calculations revealed that the low energy band gap, caused by the large planar and π‐extended porphyrin structure of AFP, contributed to its high photocatalytic performance.
Clinical relevance of serum uric acid and abdominal aortic‐calcification in a national survey
Authors: Li Yen‐Wei , Chen Wei‐Liang 
Published: July 2020

AbstractBackgroundHyperuricemia was often found in subjects with an elevated risk of cardiovascular disease (CVD). Abdominal aortic‐calcification (AAC) is significantly associated with subclinical atherosclerotic disease.HypothesisThe aim of this study is to evaluate the relationship between serum uric acid (SUA) level and AAC from a national database.MethodsA total of 2765 eligible participants older than 40 years who received dual‐energy X‐ray absorptiometry (DXA) scans with SUA data were enrolled from the National Health and Nutrition Examination Survey (2013‐2014). The association between SUA level and AAC was analyzed using multivariate regression models for covariate adjustment.ResultsAfter categorizing SUA level into four quartiles, the odds ratios for the presence of subclinical atherosclerosis via contrasting the highest SUA quartile with the lowest SUA quartile were 1.876 (95% CI = 1.298‐2.711), 2.038 (95% CI = 1.303‐3.187), 1.935 (95% CI = 1.221‐3.065), and 1.956 (95% CI = 1.225‐3.124) (all, P value less than .05) in Model 1, Model 2, Model 3, and Model 4, respectively. The above relationship remained still in the fully adjusted model for the male but not female subjects. The optimal SUA cutoff value was 6.35 mg/dL for male and 5.25 mg/dL for female to predict the presence of subclinical atherosclerosis.ConclusionsOur results explore the promising evidences that SUA level showed a positive correlation with AAC score in a dose‐response manner. These findings decisively indicated that SUA may act as a promising tool to forecast the incidence of subclinical atherosclerosis in males.
Applicability of the REDUCE‐IT trial to the FAST‐MI registry. Are the results of randomized trials relevant in routine clinical practice?
Authors: Ferrières Jean , Bataille Vincent , Puymirat Etienne , Schiele François , Simon Tabassome , Danchin Nicolas ,   for the FAST‐MI investigators
Published: July 2020

AbstractBackgroundThe reduction of cardiovascular events with icosapent ethyl‐intervention trial (REDUCE‐IT) trial revealed robust atherosclerotic cardiovascular risk reduction with a strategy comprising high‐dose omega‐3 icosapent ethyl vs placebo in statin‐treated patients with elevated triglycerides and controlled low‐density lipoprotein cholesterol (LDL‐C).HypothesisAre the results of the REDUCE‐IT trial applicable to the French registry on acute ST‐elevation and non‐ST‐elevation myocardial infarction (FAST‐MI) population?MethodsData were extracted from the FAST‐MI 2010 and 2015 registries. We applied the REDUCE‐IT enrolment criteria (triglycerides 150‐500 mg/dL and LDL‐C 40‐100 mg/dL on statins) to the FAST‐MI population in patients aged ≥45 years who had detailed lipid values postacute hospitalization, focusing on their clinical profile and cardiovascular prognosis.ResultsOf the 3789 FAST‐MI patients with a full lipid profile (median 11.1 [IQR 7.6‐17.4] months after hospitalization for myocardial infarction), 472 (12.5%; 95% CI 11.4‐13.5) met the eligibility criteria for REDUCE‐IT (REDUCE‐IT‐like group). The cardiovascular event rate (all‐cause death, nonfatal myocardial infarction, nonfatal stroke) was 36.7 (95% CI 27.8‐48.6) per 1000 person‐years for the REDUCE‐IT‐like group, which compares with the 36.9 (95% CI 26.1‐51.5) per 1000 person‐years (cardiovascular death, nonfatal myocardial infarction, nonfatal stroke) reported in the REDUCE‐IT trial. The residual cardiovascular risk related to elevated triglycerides in the REDUCE‐IT‐like group was similar to the risk in the REDUCE‐IT trial.ConclusionsIf the results of REDUCE‐IT are applied to patients hospitalized for a myocardial infarction in France, 12.5% of these patients could benefit from a strategy of high‐dose omega‐3 icosapent ethyl on top of contemporary therapy including statins to improve their clinical outcomes.
HIV‐1 Envelope Spike MPER: From a Vaccine Target to a New Druggable Pocket for Novel and Effective Fusion Inhibitors
Authors: Luque Francisco Javier , Camarasa María‐José 
Published: July 2020

AbstractHere we highlight a sound and unique work reported by Chen and co‐workers entitled “HIV‐1 fusion inhibitors targeting the membrane‐proximal external region of Env spikes” (Xiao et al., Nat. Chem. Biol. 2020, 16, 529). In this article, the authors identify, by means of a clever antibody‐guided strategy, several small molecules as fusion inhibitors of HIV‐1 replication acting at the membrane proximal external region (MPER) of the HIV‐1 envelope (Env) spike. MPER, which was previously recognized as a vaccine target, emerges as a novel druggable target for the discovery of HIV‐1 fusion inhibitors. The compounds (exemplified by dequalinium and dequalinium‐inspired analogues) prevent the conformational changes of Env from the prefusion species to the intermediate states required for membrane fusion. This work not only paves the way to novel, specific and useful anti‐HIV‐1 inhibitors, but also discloses new therapeutic strategies against other infectious diseases.
A noninterventional, multinational study to assess PD‐L1 expression in cytological and histological lung cancer specimens
Authors: Bubendorf Lukas , Conde Esther , Cappuzzo Federico , Langfort Renata , Schildhaus Hans‐Ulrich , Votruba Jiří , Concha‐López Ángel , Esteban‐Rodriguez Isabel , Feng Janine , Devenport Jenny , Boyiddle Christine , Morris Stefanie , Trunzer Kerstin , Kerr Keith M. 
Published: July 2020

BackgroundThe diagnosis of advanced lung cancer is made with minimally invasive procedures. This often results in the availability of cytological material only for subtype determination and companion diagnostic testing, with the latter being technically and clinically validated on histological material only. Thus, the primary objective of the MO29978 clinical study was to assess programmed death ligand 1 (PD‐L1) protein expression on cytology samples as surrogates for histology samples in patients with lung cancer.MethodsFormalin‐fixed, paraffin‐embedded histological samples and cytological cell blocks from 190 patients were analyzed with immunohistochemical assays using the rabbit monoclonal anti–PD‐L1 antibody clones SP142 and SP263. PD‐L1 expression was quantified on both tumor cells (TC) and tumor‐infiltrating immune cells (IC). Overall concordance, sensitivity, specificity, and accuracy, with a 1% cutoff used for both assays, were assessed for PD‐L1 expression on TC and IC.ResultsIn non–small cell lung cancer histology and cytology samples measured with the PD‐L1 (SP142) antibody (n = 173), the intraclass correlation coefficients were 0.40 and 0.06 on TC and IC, respectively. With SP142 and SP263, accuracies of 74.1% for TC and 51.9% for IC and accuracies of 75.2% for TC and 61.2% for IC, respectively, were reported.ConclusionsOverall, this study has demonstrated that PD‐L1 analysis on TC is feasible in cytological material, but quantification is challenging. Tumor tissue should be preferred over cell block cytology for PD‐L1 immunohistochemical analysis unless laboratories have validated their cytology preanalytical approaches and demonstrated the comparability of histology and cytology for TC PD‐L1 results.
Cannabinoid receptor Type 1 densities reflect social organization in Microtus
Authors: Simmons Trenton C. , Freeman Sara M. , Lackey Nicholas S. , Dreyer Brooke K. , Manoli Devanand S. , Bales Karen L. 
Published: July 2020

AbstractAcross many species, endocannabinoids play an important role in regulating social play, reward, and anxiety. These processes are mediated through at least two distinct cannabinoid receptors (CB), CB1 and CB2. CB1 expression is found in appreciable densities across regions of the brain that integrate memory with socio‐spatial information; many of these regions have been directly linked to the neurobiology of pair bonding in monogamous species. Using receptor autoradiography, we provide the first distributional map of CB1 within the brains of closely related monogamous prairie voles and promiscuous meadow voles, and compare receptor densities across sexes and species in limbic regions. We observe CB1‐specific signal using [3H] CP‐55,940 and [3H] SR141716A, though the latter exhibited a lower signal to noise ratio. We confirmed the presence of CB2 in prairie vole spleen tissue using [3H] CP‐55,940. However, we found no evidence of CB2 in the brain using either [3H] CP‐55,940 or [3H] A‐836,339. The overall distribution of putative CB1 in the brain was similar across vole species and followed the pattern of CB1 expression observed in other species—high intensity binding within the telencephalon, moderate binding within the diencephalon, and mild binding within the mesencephalon and metencephalon (aside from the cerebellar cortex). However, we found profound differences in CB1 densities across species, with prairie voles having higher CB1 binding in regions implicated in social attachment and spatial memory (e.g., periaqueductal gray, hippocampus). These findings suggest that CB1 densities, but not distribution, correlate with the social systems of vole species.
Brain of the African wild dog. I. Anatomy, architecture, and volumetrics
Authors: Chengetanai Samson , Tenley Jonathan D. , Bertelsen Mads F. , Hård Therese , Bhagwandin Adhil , Haagensen Mark , Tang Cheuk Y. , Wang Victoria X. , Wicinski Bridget , Hof Patrick R. , Manger Paul R. , Spocter Muhammad A. 
Published: July 2020

AbstractThe African wild dog is endemic to sub‐Saharan Africa and belongs to the family Canidae which includes domestic dogs and their closest relatives (i.e., wolves, coyotes, jackals, dingoes, and foxes). The African wild dog is known for its highly social behavior, co‐ordinated pack predation, and striking vocal repertoire, but little is known about its brain and whether it differs in any significant way from that of other canids. We employed gross anatomical observation, magnetic resonance imaging, and classical neuroanatomical staining to provide a broad overview of the structure of the African wild dog brain. Our results reveal a mean brain mass of 154.08 g, with an encephalization quotient of 1.73, indicating that the African wild dog has a relatively large brain size. Analysis of the various structures that comprise their brains and their topological inter‐relationships, as well as the areas and volumes of the corpus callosum, ventricular system, hippocampus, amygdala, cerebellum and the gyrification index, all reveal that the African wild dog brain is, in general, similar to that of other mammals, and very similar to that of other carnivorans. While at this level of analysis we do not find any striking specializations within the brain of the African wild dog, apart from a relatively large brain size, the observations made indicate that more detailed analyses of specific neural systems, particularly those involved in sensorimotor processing, sociality or cognition, may reveal features that are either unique to this species or shared among the Canidae to the exclusion of other Carnivora.
Assessing spatial confounding in cancer disease mapping using R
Authors: Azevedo Douglas R. M. , Bandyopadhyay Dipankar , Prates Marcos O. , Abdel‐Salam Abdel‐Salam G. , Garcia Dina 
Published: July 2020

AbstractBackgroundExploring spatial patterns in the context of cancer disease mapping (DM) is a decisive approach to bring evidence of geographical tendencies in assessing disease status and progression. However, this framework is not insulated from spatial confounding, a topic of significant interest in cancer epidemiology, where the latent correlation between the spatial random effects and fixed effects (such as covariates), often lead to misleading interpretation.AimsTo introduce three popular approaches (RHZ, HH and SPOCK; details in paper) often employed to tackle spatial confounding, and illustrate their implementation in cancer research via the popular statistical software R.MethodsAs a solution to alleviate spatial confounding, restricted spatial regressions are constructed by either projecting the latent effect onto the orthogonal space of covariates, or by displacing the spatial locations. Popular parametric count data models, such as the Poisson, generalized Poisson and negative binomial, were considered for the areal count responses, while the spatial association is quantified via the conditional autoregressive (CAR) model. Our method of inference in Bayesian, sometimes aided by the integrated nested Laplace approximation (INLA) to accelerate computing. The methods are implemented in the R package RASCO available from the first author's GitHub page.ResultsThe results reveal that all three methods perform well in alleviating the bias and variance inflation present in the spatial models. The effects of spatial confounding were also explored, which, if ignored in practice, may lead to wrong conclusions.ConclusionSpatial confounding continues to remain a critical bottleneck in deriving precise inference from spatial DM models. Hence, its effects must be investigated, and mitigated. Several approaches are available in the literature, and they produce trustworthy results. The central contribution of this paper is providing the practitioners the R package RASCO, capable of fitting a large number of spatial models, as well as their restricted versions.
Minimize the delays in software defined network switch controller communication
Authors: Iqbal Saleem , Qureshi Kashif Naseer , Shoaib Faisal , Ahmad Awais , Jeon Gwanggil 
Published: July 2020

SummarSoftware Defined Networks (SDN) is now the leading framework for the existing network infrastructure. Increasing Internet traffic leads to attract SDN infrastructure in large networks like enterprise or data centers by using logical centralize control concept. This abstraction, flexibility, and agility enable the network managers to view the global picture of the network and flow the traffic in an efficient way to avoid congestion and traffic delay issues. However, besides the benefits, the internal mechanism of SDN has some serious challenges, which leads flow table overflow, congestions, controller and switch overloading, link failure and latency issues. This research focus on the delays produced during communication between control plane and data plane due to the parameters like rule formation, mismatches, buffer/queue constraints, flow entries, controller resource utilization or duplicate flow packets, and unordered packets. These delays become more critical in large networks especially in‐case of reactive modes. Furthermore, the frequent rule composition and installation causes extra burden at the controller, this control communication needs prompt reply to forward the traffic in a stipulated time. This article presents the Efficient Resource Management Scheme (ERMS), which efficiently handle the inter‐communication delay and minimize the network overheads. The experiment results depict the better performance of ERMS during the communication between controller and switch by efficient packet handling and flow rules management while minimizes the overheads on controller. The proposed solution enhances the performance of SDN networks by improving the quality of services parameters.