bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring the Possibility of Excited State Keto‐Enolate Transformation of the Oxyluciferin‐Luciferase Complex with QM/MM Free Energy Simulations
Authors: Chung Seyoung , Choi Sun Mi , Rhee Young Min 
Published: May 2019

AbstractFirefly bioluminescence has been widely studied due to its high quantum yield and its broad range of color modulation, but debates on the origin of its color modulation and the exact chemical form of the emitter are still ongoing. Herein, the keto‐enolate transformation of the oxyluciferin–luciferase complex is investigated using quantum mechanics/molecular mechanics (QM/MM) free energy simulations. We find that the free energy profile of this transformation largely depends on the protonation state of the phenoxy oxygen in oxyluciferin. Although the keto‐enolate transformation can be facilitated by protonation of this oxygen atom, the overall transformation is still unlikely and only the keto form will predominantly exist along our hypothesized reaction path. Nevertheless, we show with additional calculations with a modestly modified protein electric field that the energetics of the transformation can be heavily modulated with the protein electrostatics. This suggests that carefully modeling the protein–ligand interaction is key to understanding the reaction mechanism of the firefly bioluminescence and that it is not yet appropriate to completely rule out the possibility of having enolate participation.
Stromatolites, so what?! A tribute to Robert N. Ginsburg
Authors: Suosaari Erica P. , Reid R. Pamela , Andres Miriam S. 
Published: May 2019

AbstractIn tribute to Dr. Robert N. Ginsburg (1925–2017), we examine his 1991 seminal paper Controversies about Stromatolites: Vices and Virtues, which summarized current ideas about stromatolites including controversies of definition, whether ancient stromatolites should be interpreted as sedimentary structures and mechanisms of carbonate fixation. The accepted model of stromatolite morphogenesis in 1991 was that biology controls microscale internal structure whereas environment controls macroscale morphology. Ginsburg, however, predicted that biology and environmental influences on stromatolite growth were closely coupled at macro, meso and micro scales. Recent research in Hamelin Pool and the Bahamas has advanced our understanding of the inherent duality of stromatolites and associated controversies. These studies suggest that at the macroscale, when physical forces are strong, the environment is the main control on the morphology; however, when physical forces are weak, biological communities become the main drivers of morphology. Therefore, stromatolites can be considered both as fossils and as sedimentary structures dependent on the energy in the environment of deposition. At the mesoscale, as predicted by Trompette, stromatolite fabrics are influenced equally by environment and biology. As the degree of lamination is often unknown or heterogeneous, a generic genetic term such as ‘microbialite’ is considered the most appropriate terminology for structures of probable microbial origin. At the microscale, stromatolite microfabrics reflect environmentally driven cycling of microbial communities, reflecting both biology and environment. With respect to carbonate fixation, research on modern stromatolites provides a model for biofilm precipitation of micritic laminae lacking microfossils in ancient stromatolites. As pointed out by Ginsburg, the inherent duality of environmental and biological controls of morphogenesis at all scales is at the root of many long‐standing controversies. Recent investigations corroborate the foresight of Ginsburg nearly 30 years ago, further confirming well‐preserved stromatolites can provide insight into both biology and environmental factors in ancient ecosystems.
Signals of positive selection in mitochondrial protein‐coding genes of woolly mammoth: Adaptation to extreme environments?
Authors: Ngatia Jacob Njaramba , Lan Tian Ming , Dinh Thi Dao , Zhang Le , Ahmed Ahmed Khalid , Xu Yan Chun 
Published: May 2019

AbstractThe mammoths originated in warm and equatorial Africa and later colonized cold and high‐latitude environments. Studies on nuclear genes suggest that woolly mammoth had evolved genetic variations involved in processes relevant to cold tolerance, including lipid metabolism and thermogenesis, and adaptation to extremely varied light and darkness cycles. The mitochondria is a major regulator of cellular energy metabolism, thus the mitogenome of mammoths may also exhibit adaptive evolution. However, little is yet known in this regard. In this study, we analyzed mitochondrial protein‐coding genes (MPCGs) sequences of 75 broadly distributed woolly mammoths (Mammuthus primigenius) to test for signatures of positive selection. Results showed that a total of eleven amino acid sites in six genes, namely ND1, ND4, ND5, ND6, CYTB, and ATP6, displayed strong evidence of positive selection. Two sites were located in close proximity to proton‐translocation channels in mitochondrial complex I. Biochemical and homology protein structure modeling analyses demonstrated that five amino acid substitutions in ND1, ND5, and ND6 might have influenced the performance of protein–protein interaction among subunits of complex I, and three substitutions in CYTB and ATP6 might have influenced the performance of metabolic regulatory chain. These findings suggest metabolic adaptations in the mitogenome of woolly mammoths in relation to extreme environments and provide a basis for further tests on the significance of the variations on other systems.
Uncertainty and sensitivity analyses of incinerability index
Authors: Sebastian Roshni M. , Kumar Dinesh , Alappat Babu J. 
Published: May 2019

AbstractA composite indicator for incinerability called incinerability index or i‐Index has been developed to quantify the incinerability of municipal solid waste (MSW) as a unique numerical figure on a scale of 0–100. Due to the absence of guidelines for the formulation of a composite indicator, the reliability of the quantified incinerability and the incinerability‐based rankings might be debatable. To ascertain the suitability of the methodology in developing the indicator for incinerability, uncertainty, and sensitivity analyses are essential. This article aims to carry out the uncertainty analysis of the various stages of the formulation of i‐Index, namely, relative weightage determination of input parameters, normalization of parameters and their aggregation. Sensitivity analysis is also done to determine the extent of influence an input has on the quantified incinerability. The robustness and the transparency of i‐Index can be assessed and improved by this approach.
Biological activities of a garlic–Cirsium setidens Nakai blend fermented with Leuconostoc mesenteroides
Authors: Daliri Eric Banan‐Mwine , Choi Sun‐Il , Cho Bong‐Yeon , Jo Hyeon Yeong , Kim Se‐Hun , Chelliah Ramachandran , Rubab Momna , Kim Joong‐Hark , Oh Hyun‐Taek , Lee Ok‐Hwan , Oh Deog‐Hwan 
Published: May 2019

AbstractIn this study, we investigated the antioxidant‐ and immune‐stimulating activities of various garlic–Cirsium setidens Nakai blends (fermented and unfermented). The levels of S‐allyl cysteine increased by 2.5 times while pectolinarigenin (an anti‐inflammatory compound) increased about six times (from 1.1 ± 0.04 mg/g to 6.70 ± 0.12 mg/g) after the garlic–Cirsium setidens Nakai (80:20%, respectively) blend (S4) was fermented with Leuconostoc mesenteroides KCTC 13302. The ferric reducing ability and DPPH radical scavenging activities of all the samples increased significantly after fermentation. Ethanolic extracts of the fermented samples significantly enhanced RAW 264.7 macrophage proliferation in a dose‐dependent manner and induced nitric oxide production. Among the samples, S6 and S8 stimulated the highest levels of nitric oxide (NO) production. S6 significantly induced proinflammatory cytokines TNF‐α and IL‐1β as well as an anti‐inflammatory cytokine IL‐10 relative to control. Since the resolution of an infection would require a harmonized interplay of proinflammatory factors and anti‐inflammatory cytokines, consumption of S6 could be helpful in promoting health.
Sexual risk associated with gambling among the youth in Rubaga Division, Kampala
Authors: Kiwujja Victor , Mugisha John Francis 
Published: May 2019

SummaryThe status of sexual and reproductive health of youths and adolescents in urban areas across the globe is alarming. Evidence from Uganda Aids Indicator Survey 2011 indicates that over 31% youths who have never married are engaged in sexual intercourse but have never tested for HIV. Gambling is clearly on the increase in major towns and cities drawing in several youths. However, the risk that this practice poses on the youth's sexual behavior has not been investigated in Uganda. This study intended to fill this gap. This study examined the sexual risk associated with gambling among youths in Rubaga Division of Kampala Capital City of Uganda. The study employed a quantitative cross sectional design to survey 397 youths aged 15 to 24 years. It employed a systematic sampling scheme in selecting households with youths who responded to the household survey questionnaire. Results showed that more male than female youths are engaged in gambling, majority of whom start gambling below 18 years. Most of the gambling youths are pulled by competition with peers and desire to earn money. Compared with nongambling youths, gambling youths have more sexual encounters, initiate sexual activity at a young age, have unprotected sex, have sex with more than one partner whom they do not know their HIV status, and have sex under the influence of alcohol. The study recommends for government to form and enforce policies to regulate gambling with a view of minimizing its associated risks especially unsafe sex. Through the ministry of health and civil society organizations, government can create programs to reach the gambling youths with sexual reproductive health services.
Tethered‐liquid omniphobic surface coating reduces surface thrombogenicity, delays clot formation and decreases clot strength ex vivo
Authors: Roberts Teryn R. , Leslie Daniel C. , Cap Andrew P. , Cancio Leopoldo C. , Batchinsky Andriy I. 
Published: May 2019

AbstractHemocompatible materials for extracorporeal life support (ECLS) technology are investigated to mitigate thrombotic complications associated with this therapy. A promising solution is an omniphobic bilayer coating, tethered liquid perfluorocarbon (TLP), which utilizes an immobilized tether to anchor a mobile, liquid surface lubricant that prevents adhesion of blood components to the substrate. In this study, we investigated the effects of TLP on real‐time clot formation using thromboelastography (TEG). TLP was applied to TEG cups, utilizing perfluorodecalin (PFD) or FluorLube63 as the liquid layer, and compared to uncoated cups. Human blood (n = 10) was added to cups; and TEG parameters (R, K, α‐angle, MA, LY30, LY60) and adherent thrombus weight were assessed. TLP decreased clot amplification (α‐angle), clot strength (MA), and adherent clot weight (p < .0001). These effects were greater with FluorLube63 versus PFD (α‐angle p < .0001; MA p = .0019; clot weight p < .0001). Reaction time (R) was longer in TLP‐coated cups versus control cups with liquid lubricant added (p = .0377). Percent fibrinolysis (LY30 and LY60) was greater in the TLP versus controls at LY30 (p < .0001), and in FluoroLube63 versus controls at LY60 (p = .0021). TLP significantly altered clot formation, exerting antithrombogenic effects. This reduction in surface thrombogenicity supports TLP as a candidate for improved biocompatibility of ECLS materials, pending further validation with exposure to shear stress.
Enhanced photocatalytic reduction of 4‐nitrophenol over Ir/CeO2 photocatalysts under UV irradiation
Authors: Castañeda Claudia , Alvarado Ignacio , Martínez José J , Brijaldo María H , Passos Fabio Barboza , Rojas Hugo 
Published: May 2019

AbstractBACKGROUNDPhotoreduction of 4‐nitrophenol (4‐NP) photocatalytically to 4‐aminophenol (4‐AP) is considered a promising treatment of this recalcitrant pollutant. 4‐aminophenol is widely applied as an intermediate in the pharmaceutical and agricultural industries. In this work, iridium/cerium dioxide (Ir/CeO2) photocatalysts with different Ir contents (0.5, 1.0 and 2.0 wt%) were studied in the photoreduction of 4‐NP using Na2SO3 as hole scavengers under UV irradiation. In order to identify their physicochemical properties, the materials were studied by several techniques and photoactivity was monitored by UV‐visible spectroscopy.RESULTSThe characterization results provided evidence that the modification of CeO2 by impregnation of Ir causes a decrease in CeO2 textural properties and its band gap energy. The photocatalytic reduction of 4‐nitrophenol was enhanced by 26.1% using Ir/CeO2 1.0 wt% in comparison with CeO2 support. The phrase is related with the comparison between the photocatalytic behavior of Ir/CeO2 1.0 wt% photocatalyst in regard the results evidenced with CeO2 unmodified. An effect of the metal loading over photoactivity was observed and the optimal Ir content was 1.0 wt%. A reduction of 84% was obtained using 1.0 wt%Ir/CeO2, whereas for higher metal loading (2.0 wt%) 4‐NP reduction decreased by 72%.CONCLUSIONThe enhancement in the photocatalytic behavior of the Ir/CeO2 series could be related to the presence of Irδ+ and Ir0 species evidenced by X‐ray photoelectron spectroscopy (XPS), thus, Irδ+ species could favor the adsorption of the pollutant and Ir0 particles could act as trap of the photogenerated electrons that are responsible for reduction of the nitrocompound. The decrease in photoactivity when 2.0 wt% Ir/CeO2 was used as photocatalyst could be associated with partial blockage of the surface active sites by increasing amounts of metal. © 2019 Society of Chemical Industry
Prenatal sonography of multicentric infantile myofibromatosis: Case report and review of the literature
Authors: Rekawek Patricia , Coleman Beverly G. , Kamath Amita , Stone Joanne L. 
Published: May 2019

AbstractScant literature exists on prenatally diagnosed infantile myofibromatosis (IM). We report a case of multicentric IM, which was first recognized as a soft‐tissue paraspinal mass on prenatal sonography and subsequently characterized by MRI with pathological confirmation.
Clinical advances of siRNA therapeutics
Authors: Hu Bo , Weng Yuhua , Xia Xin‐Hua , Liang Xing‐jie , Huang Yuanyu 
Published: May 2019

AbstractSmall interfering RNA (siRNA) enables efficient target gene silencing by employing a RNA interference (RNAi) mechanism, which can compromise gene expression and regulate gene activity by cleaving mRNA or repressing its translation. Twenty years after the discovery of RNAi in 1998, ONPATTRO™ (patisiran) (Alnylam Pharmaceuticals, Inc.), a lipid formulated siRNA modality, was approved for the first time by United States Food and Drug Administration and the European Commission in 2018. With this milestone achievement, siRNA therapeutics will soar in the coming years. Here, we review the discovery and the mechanisms of RNAi, briefly describe the delivery technologies of siRNA, and summarize recent clinical advances of siRNA therapeutics.
Cortical‐Basal Ganglia‐Cerebellar Networks in Unilateral Vocal Fold Paralysis: A Pilot Study
Authors: Perez Philip L. , Cueva Kristine L. , Rosen Clark A. , Young VyVy N. , Naunheim Molly L. , Yung Katherine C. , Schneider Sarah L. , Mizuiri Danielle , Klein David J. , Houde John F. , Hinkley Leighton B. , Nagarajan Srikantan S. , Cheung Steven W. 
Published: May 2019

Objectives/HypothesisTo evaluate differences in cortical‐basal ganglia‐cerebellar functional connectivity between treated unilateral vocal fold paralysis (UVFP) and healthy control cohorts using resting‐state functional magnetic resonance imaging (RS‐fMRI).Study DesignCross‐sectional.MethodsTen UVFP study patients treated by type I thyroplasty and 12 control subjects underwent RS‐fMRI on a 3‐Tesla scanner to evaluate differences in functional connectivity of whole‐brain networks. Spontaneous RS‐fMRI data were collected using a gradient echo planar pulse sequence, preprocessed, and analyzed to compare seed‐to‐voxel maps between the two cohorts. Seeds were placed in the caudate, putamen, and globus pallidus divisions of the basal ganglia in both hemispheres. Group contrasts were tested for statistical significance using two‐tailed unpaired t tests corrected for multiple comparisons with a cluster false discovery rate threshold of P < .05.ResultsUVFP patients demonstrated increased connectivity between both caudate nuclei and the precuneus, a node of the default mode network, compared to healthy controls. Both caudate nuclei also showed decreased connectivity with the left cerebellar hemisphere. The putamen and globus pallidus divisions of the basal ganglia were not abnormally connected to other brain structures.ConclusionsUVFP patients treated by type I thyroplasty exhibited long‐term alterations of cortical‐basal ganglia‐cerebellar networks thought to be important for self‐referential voice quality awareness and learning processes that compensate for changes to the paralyzed hemilarynx. This pilot study on relatively small cohorts adds to growing evidence for persistent central nervous system changes in treated UVFP. Replication studies with larger numbers of subjects will be essential to validate and extend findings.Level of Evidence3b Laryngoscope, 130:460–464, 2020
Poly(4‐vinyl imidazole): A pH‐Responsive Trigger for Hierarchical Self‐Assembly of Multicompartment Micelles Based upon Triblock Terpolymers
Authors: Piloni Alberto , Cao Cheng , Garvey Christopher J. , Walther Andreas , Stenzel Martina H. 
Published: May 2019

AbstractPoly(vinyl pyridine) has widely been used as a pH‐responsive polymer to trigger changes in self‐assembly of block copolymer micelles. However, the polymer is known to display toxic features, which limits its ultimate applicability for biological applications. Here, poly(4‐vinyl imidazole) (P4VIm), a much more biocompatible polymer, is used as a pH‐responsive block to modulate the self‐assembly of ABC triblock terpolymers. In this article, the synthesis of the poly(1‐acryloyl fructopyranose)‐block‐ poly(n‐butyl acrylate)‐block‐ poly(4‐vinyl imidazole) (PFruA52‐b‐PBuA300‐b‐P4VIm250) triblock terpolymers is first discussed by sequential reversible addition fragmentation chain transfer (RAFT) polymerization. Subsequently, the structure formation of the triblock terpolymer is elucidated by step‐wise solvent exchange. The polymer readily dissolves in methanol, but self‐assembles into micelles with PBuA cores and mixed shell in methanol–water mixtures. Solvent exchange against buffer solutions of pH 6–6.5 leads to collapse of P4VIm due to deprotonation and induces self‐assembly into caterpillar‐like non‐spherical nanoparticles, most likely via the formation of intermediate Janus particles. The rearrangement into larger hierarchical structure, as seen by small angle X‐ray scattering (SAXS), is found to process within several hours. The article is concluded by demonstrating lower cytotoxicity values for the present polymer in comparison to a structurally analogous triblock terpolymer based on poly(vinyl pyridine).
Reconfigurable Poly(urea‐urethane) Thermoset Based on Hindered Urea Bonds with Triple‐Shape‐Memory Performance
Authors: Jia Yunchao , Ying Hanze , Zhang Yanfeng , He Hui , Cheng Jianjun 
Published: May 2019

AbstractThermoset shape memory polymers (SMPs) have a series of advantages in practical applications when compared with thermoplastic SMPs. However, the reprocessing and reshaping of thermosets are difficult due to the covalent crosslinking which severely limits the reconfiguration of polymer networks even under high temperature. Here, hinered urea bond (HUB), a urea bearing a bulky substituent on its nitrogen atom that can reversibly dissociate to the corresponding bulky amine and isocyanate, is integrated into the poly(urea‐urethane) (PUU) crosslinked networks, enabling the networks to topologically reconfigure to other structures. Instead of having to cure the thermoset in a mold, the incorporation of HUBs can decouple the synthesis and shape‐forming steps, which is a huge advantage for the processing of thermoset materials compared to conventional thermosets. This new PUU thermoset shows a broad glass transition behavior and exhibits excellent triple‐shape‐memory performance. With the incorporation of this dynamic urea bonds, permanent shapes can be flexibly tuned via the network reconfiguration, which is often neglected but significant to the practical application of SMPs.
Synthesis and Antimicrobial Evaluation of 1,4‐Naphthoquinone Derivatives as Potential Antibacterial Agents
Authors: Ravichandiran Palanisamy , Masłyk Maciej , Sheet Sunirmal , Janeczko Monika , Premnath Dhanraj , Kim Ae Rhan , Park Byung‐Hyun , Han Myung‐Kwan , Yoo Dong Jin 
Published: May 2019

Abstract1,4‐Naphthoquinones are an important class of compounds present in a number of natural products. In this study, a new series of 1,4‐naphthoquinone derivatives were synthesized. All the synthesized compounds were tested for in vitro antimicrobial activity. In this present investigation, two Gram‐positive and five Gram‐negative bacterial strains and one pathogenic yeast strain were used to determine the antibacterial activity. Naphthoquinones tested for its antibacterial potencies, among seven of them displayed better antimicrobial activity against Staphylococcus aureus (S. aureus; 30–70 μg/mL). Some of the tested compounds showed moderate to low antimicrobial activity against Pseudomonas aeruginosa (P. aeruginosa) and Salmonella bongori (S. bongori; 70–150 μg/mL). In addition, most active compounds against S. aureus were evaluated for toxicity to human blood cells using a hemolysis assay. For better understanding, reactive oxygen species (ROS) generation, time‐kill kinetic study, and apoptosis, necrosis responses were investigated for three representative compounds.
Health‐related Google searches performed by parents of pediatric oncology patients
Authors: Phillips Charles A. , Hunt Alaina , Salvesen‐Quinn Mikaela , Guerra Jorge , Schapira Marilyn M. , Bailey L. Charles , Merchant Raina M. 
Published: May 2019

AbstractBackgroundLittle is known about the specific information parents of children with cancer search for online. Understanding the content of parents’ searches over time could offer insight into what matters most to parents and identify knowledge gaps that could inform more comprehensive approaches to family education and support.MethodsWe describe parents’ health‐related Google searches starting six months before cancer diagnosis and extending through the date of study enrollment, which was at least one month after initiating cancer treatment. Searches were obtained retrospectively and grouped into health‐related and non‐health‐related categories. The median time to parent enrollment from date of cancer diagnosis was 264 days.ResultsParents searched for health‐related topics more frequently than the general population (13% vs 5%). Health‐related searches increased in the months preceding the child's cancer diagnosis and most commonly pertained to symptoms and logistics, “directions to hospital.” Health‐related search volume peaked about a month after cancer diagnosis when general health‐related searches were present in addition to cancer‐specific searches. Eighteen percent of health‐related searches were cancer specific, and of these cancer‐specific searches, 54% pertained to support, for example “cancer quote for son.”ConclusionsGoogle search content offers insight into what matters to parents of cancer patients. Understanding search content could inform more comprehensive approaches to family education and support initiatives.