bluuebunny/crossref_metadata_2025_split huggingface dataset:
Revealing Solid Properties of High-energy-density Molecular Cocrystals from the Cooperation of Hydrogen Bonding and Molecular Polarizability
Authors: Zhang Lei , Jiang Sheng-Li , Yu Yi , Chen Jun 
Published: February 2019

AbstractIn the domain of high-energy-density materials, the understanding to physico-chemical properties has long been primarily based on molecular structures whereas the crystal packing effect that significantly affects solid properties has been seldom involved. Herewith we predict the solid properties of six novel energetic cocrystals by taking into account of the crystal packing effect using a quantum chemistry method. We discover that the hydrogen bonding causes an increase in the molecular polarizability and their cooperation significantly changes the solid-state nature of the cocrystals compared to the pristine crystal and the gas counterparts. For example, stabilizing the multi-component molecular association by increasing the binding energy by 19–41% over the pristine crystals, improving the detonation performance by 5–10% and reducing the sensitivity to external stimuli compared to their pure crystal or gas counterparts. Therefore, the solid nature of the cocrystal is not a simple combination of the pure crystalline properties of its components and the heterogeneous molecular coupling effects must be considered to design improved functional cocrystals.
Theoretical requirements and inverse design for broadband perfect absorption of low-frequency waterborne sound by ultrathin metasurface
Authors: Zhong Jie , Zhao Honggang , Yang Haibin , Wang Yang , Yin Jianfei , Wen Jihong 
Published: February 2019

AbstractEffective absorption of low-frequency waterborne sound with subwavelength absorbers has always been a challenging work. In this paper, we derive two theoretical requirements for broadband perfect absorption of low-frequency waterborne sound by ultrathin acoustic metasurface under a finite-thickness steel plate followed by semi-infinite air. Based on the theoretical requirements, an acoustic metasurface, a rubber layer embedded periodically with cavities, is inversely designed to achieve perfect absorption at 500 Hz. The metasurface is as thin as 1% of the working wavelength and maintains a substantially high absorptance over a relatively broad bandwidth. The perfect absorption peak is attributed to the overall resonance mode of the metasurface/steel plate system. Besides, high absorption can still be achieved even if the loss factor of the given rubber material cannot meet the ideal requirement. Finally, a strategy to utilize the inherent frequency-dependent characteristics of dynamic parameters of rubber material is suggested to achieve an ultra-broadband perfect absorption. When the frequency-dependent characteristics of the given rubber matrix cannot meet the theoretical requirements, a broadband super-absorption can still be realized by properly designing the frequency position of perfect absorption of the cavity-based metasurface.
Ultrastructural localization of the likely mechanoelectrical transduction channel protein, transmembrane-like channel 1 (TMC1) during development of cochlear hair cells
Authors: Mahendrasingam Shanthini , Furness David N. 
Published: February 2019

AbstractTransmembrane channel like protein 1 (TMC1) is likely to be a pore-forming subunit of the transduction channel of cochlear hair cells that is mechanically gated by tension on tip links in the stereocilia bundle. To localise TMC1 precisely, we labelled mice cochleae of different ages using custom-made polyclonal antibodies to TMC1 for light and transmission electron microscopy (TEM). Immunofluorescence revealed stereocilia labelling at P9 but not at P3 in apical hair cells. Immunogold labelling for TEM confirmed that labelling was absent at P3, and showed weak labelling at P6 with no stereocilia tip labelling, increasing at P9, with specific tip labelling on shorter stereocilia and some throughout the bundle. At P12 and P21, labelling was refined mostly to stereocilia tips. Quantification showed that labelling overall reached maximum by P12, labelling per tip was relatively constant from P9 to P21, but percent tips labelled was reduced from 16% to 8%. Tmc1−/− showed no labelling. Thus TMC1 occurs at the lower end of the tip link, supporting its presence in the MET complex and likely the channel. Tip localisation from P9 onwards coincides with lipoma HMGIC fusion partner-like 5 (LHFPL5), a protein that may be involved in acquiring/maintaining TMC1 localisation.
Selection for background matching drives sympatric speciation in Wall Gecko
Authors: Fulgione Domenico , Buglione Maria , Rippa Daniela , Trapanese Martina , Petrelli Simona , Monti Daria Maria , Aria Massimo , Del Giudice Rita , Maselli Valeria 
Published: February 2019

AbstractThe Wall Gecko shows heterogeneous colour pattern, which may vary among individuals, depending on the time of day and on the habitat segregation. Nocturnal pale geckos live exclusively on walls. Diurnal dark geckos preferentially live on olive tree trunks, demonstrating an ability to change skin colour that is superior to that of the pale gecko and allows diurnal geckos becoming camouflaged on the diverse substrates occupied during the day. In our study, the nocturnal/pale/wall and diurnal/dark/trunk geckos could be considered the extremes of an ecological cline of morphological variation on which divergent selection may be acting. Combining the effect of balancing selection on nocturnal geckos and disruptive selection between two sympatric populations could lead to speciation. All geckos analysed here belong to the same species, as confirmed by genetic characterization, however diurnal and nocturnal gecko populations seem to be in an early stage of incipient speciation. These two different morphs still combine genes, as revealed by neutral genetic markers, yet they show complete separation according to the analyses of mtDNA coding genes. Experimental results show that diurnal and nocturnal geckos do not swap their niches, likely because the predation pressure causes severe selection for background matching. Genomic analysis of complete mtDNA suggests that nocturnal geckos seem to be under balancing selection perhaps due to the narrow niche in which they live, whereas the daytime population has more opportunity in fitting into the multiple available niches, and they experience positive selection. Here we hypothesize that the ecological segregation that we are witnessing between the nocturnal and diurnal geckos, can lead to a ecological speciation.
Flexible Printed Monolithic-Structured Solid-State Dye Sensitized Solar Cells on Woven Glass Fibre Textile for Wearable Energy Harvesting Applications
Authors: Liu Jingqi , Li Yi , Yong Sheng , Arumugam Sasikumar , Beeby Steve 
Published: February 2019

AbstractPreviously, textile dye sensitised solar cells (DSSCs) woven using photovoltaic (PV) yarns have been demonstrated but there are challenges in their implementation arising from the mechanical forces in the weaving process, evaporation of the liquid electrolyte and partially shaded cells area, which all reduce the performance of the cell. To overcome these problems, this paper proposes a novel fabrication process for a monolithic-structured solid-state dye sensitized solar cell (ssDSSC) on textile using all solution based processes. A glass fibre textile substrate was used as the target substrate for the printed ssDSSC that contain multiple layers of electrodes and active materials. The printed ssDSSC on textile have been successfully demonstrated and compared with a reference device made with the same processes on a glass substrate. All PV textile devices were characterized under simulated AM 1.5 conditions and a peak efficiency of 0.4% was achieved. This approach is potentially suitable for the low cost integration of PV devices onto high temperature textiles, but to widen the range of applications future research is required to reduce the processing temperature to enable the device to be fabricated on the standard fabric substrates.
Associations of maternal vitamin D, PTH and calcium with hypertensive disorders of pregnancy and associated adverse perinatal outcomes: Findings from the Born in Bradford cohort study
Authors: Santorelli Gillian , Whitelaw Donald , Farrar Diane , West Jane , Lawlor Debbie A. 
Published: February 2019

AbstractVitamin D and parathyroid hormone (PTH) regulate mineral metabolism and are required to maintain calcium levels. Vitamin D deficiency is common, particularly during pregnancy, and has been associated with hypertensive disorders of pregnancy. We sought to determine whether maternal 25(OH)D, PTH and calcium concentrations at 26 weeks gestation are associated with adverse outcomes of pregnancy and establish whether these differ by ethnicity. This study included 476 White British and 534 Pakistani origin mother-offspring pairs from the Born in Bradford cohort study. We used multinomial or logistic regression to explore the association between vitamin D, PTH and calcium with gestational hypertension (GH), pre-eclampsia (PE), caesarean section (CS), preterm birth (PTB) and small for gestational age (SGA). Pakistani women had lower 25(OH)D (median 13.0 vs 36.0 nmol/L), higher PTH (median 7.7 vs 3.3 pmol/L) and similar calcium concentrations compared to White British women. In Pakistani women, higher concentrations of 25(OH)D were associated with a 60% increased odds of GH, and a 37% reduced odds of SGA; PTH was associated with a 45% reduction in the odds of GH. In White British women, each 1 SD increase in calcium concentration was associated with a 34% increase in developing GH but a 33% reduction in the odds of PTB. Associations with PE and CS were consistent with the null. In conclusion, there are ethnic differences in the associations of 25(OH)D, PTH and calcium with important perinatal outcomes. Future research would benefit from examining the associations of 25(OH)D, PTH and calcium together with a range of perinatal outcomes in order to assess the risk-benefit action of each.
Acoustic Emission from Porous Collapse and Moving Dislocations in Granular Mg-Ho Alloys under Compression and Tension
Authors: Chen Yan , Ding Xiangdong , Fang Daqing , Sun Jun , Salje Ekhard K. H. 
Published: February 2019

AbstractWe identified heterogeneous Mg-Ho alloys as an ideal material to measure the most extensive acoustic emission spectra available. Mg-Ho alloys are porous and show a high density of dislocations, which slide under external tension and compression. These dislocations nucleate near numerous heterogeneities. Two mechanisms compete under external forcing in the structural collapse, namely collapsing holes and the movements of dislocations. Their respective fingerprints in acoustic emission (AE) measurements are very different and relate to their individual signal strengths. Porous collapse generates very strong AE signals while dislocation movements create more but weaker AE signals. This allows the separation of the two processes even though they almost always coincide temporarily. The porous collapse follows approximately mean-field behavior (ε = 1.4, τ’ = 1.82, α = 2.56,x = 1.93, χ = 1.95) with mean field scaling fulfilled. The exponents for dislocation movement are greater (ε = 1.92, τ’ = 2.44, α = 3.0,x = 1.7, χ = 1.42) and follows approximately the force integrated mean-field predictions. The Omori scaling is similar for both mechanisms. The Bath’s law is well fulfilled for the porous collapse but not for the dislocation movements. We suggest that such ‘complex’ mixing behavior is dominant in many other complex materials such as (multi-) ferroics, entropic alloys and porous ferroelastics, and, potentially, homogeneous materials with the simultaneous appearance of different collapse mechanisms.
Diversity and environmental distribution of the cosmopolitan endosymbiont “Candidatus Megaira”
Authors: Lanzoni Olivia , Sabaneyeva Elena , Modeo Letizia , Castelli Michele , Lebedeva Natalia , Verni Franco , Schrallhammer Martina , Potekhin Alexey , Petroni Giulio 
Published: February 2019

AbstractMembers of the order Rickettsiales are often found in association with ciliated protists. An interesting case is the bacterial endosymbiont “Candidatus Megaira”, which is phylogenetically closely related to the pathogen Rickettsia. “Candidatus Megaira” was first described as an intracellular bacterium in several ciliate species. Since then it has been found in association with diverse evolutionary distantly-related hosts, among them other unicellular eukaryotes, and also algae, and metazoa, such as cnidarians. We provide the characterization of several new strains of the type species “Candidatus Megaira polyxenophila”, and the multidisciplinary description of a novel species, “Candidatus Megaira venefica”, presenting peculiar features, which highlight the diversity and variability of these widespread bacterial endosymbionts. Screening of the 16S rRNA gene short amplicon database and phylogenetic analysis of 16S rRNA gene hypervariable regions revealed the presence of further hidden lineages, and provided hints on the possibility that these bacteria may be horizontally transmitted among aquatic protists and metazoa. The phylogenetic reconstruction supports the existence of at least five different separate species-level clades of “Candidatus Megaira”, and we designed a set of specific probes allowing easy recognition of the four major clades of the genus.
In-Situ observation of local atomic structure of Al-Cu-Fe quasicrystal formation
Authors: Parsamehr Hadi , Lu Ying-Jiu , Lin Tzu-Ying , Tsai An-Pang , Lai Chih-Huang 
Published: February 2019

AbstractThe phase and local environment, neighbouring atoms and coordination numbers (CN), for an Al-Cu-Fe multilayer were studied during heating (to 800 °C) and cooling (to room temperature) processes using in-situ X-Ray diffraction (XRD) and in-situ X-ray absorption spectroscopy (XAS) techniques to investigate the formation of Al-Cu-Fe quasicrystals (QCs). In-situ XRD clarified the transition of the ω-Al7Cu2Fe phase to a liquid state at the high temperature which transformed into the QC phase during cooling. The in-situ XAS showed a relatively small shift in distance between Cu-Al and Fe-Al during the phase evolution from RT to 700 °C. The distance between Cu-Cu, however, showed a significant increase from ω-phase at 700 °C to the liquid state at 800 °C, and this distance was maintained after QC formation. Furthermore, the CN of Fe-Al was changed to N = 9 during cooling. Through our observations of changes in CN, atomic distances and the atomic environment, we propose the local structural ordering of the quasicrystalline phase originated from a liquid state via ω-phase. In this study, we give a clear picture of the atomic environment from the crystalline to the quasicrystalline phase during the phase transitions, which provides a better understanding of the synthesis of functional QC nanomaterials.
Interplay between Josephson and Aharonov-Bohm effects in Andreev interferometers
Authors: Dolgirev Pavel E. , Kalenkov Mikhail S. , Zaikin Andrei D. 
Published: February 2019

AbstractProximity induced quantum coherence of electrons in multi-terminal voltage-driven hybrid normal-superconducting nanostructures may result in a non-trivial interplay between topology-dependent Josephson and Aharonov-Bohm effects. We elucidate a trade-off between stimulation of the voltage-dependent Josephson current due to non-equilibrium effects and quantum dephasing of quasiparticles causing reduction of both Josephson and Aharonov-Bohm currents. We also predict phase-shifted quantum coherent oscillations of the induced electrostatic potential as a function of the externally applied magnetic flux. Our results may be employed for engineering superconducting nanocircuits with controlled quantum properties.
Cadaverine, a metabolite of the microbiome, reduces breast cancer aggressiveness through trace amino acid receptors
Authors: Kovács Tünde , Mikó Edit , Vida András , Sebő Éva , Toth Judit , Csonka Tamás , Boratkó Anita , Ujlaki Gyula , Lente Gréta , Kovács Patrik , Tóth Dezső , Árkosy Péter , Kiss Borbála , Méhes Gábor , Goedert James J. , Bai Péter 
Published: February 2019

AbstractRecent studies showed that changes to the gut microbiome alters the microbiome-derived metabolome, potentially promoting carcinogenesis in organs that are distal to the gut. In this study, we assessed the relationship between breast cancer and cadaverine biosynthesis. Cadaverine treatment of Balb/c female mice (500 nmol/kg p.o. q.d.) grafted with 4T1 breast cancer cells ameliorated the disease (lower mass and infiltration of the primary tumor, fewer metastases, and lower grade tumors). Cadaverine treatment of breast cancer cell lines corresponding to its serum reference range (100–800 nM) reverted endothelial-to-mesenchymal transition, inhibited cellular movement and invasion, moreover, rendered cells less stem cell-like through reducing mitochondrial oxidation. Trace amino acid receptors (TAARs), namely, TAAR1, TAAR8 and TAAR9 were instrumental in provoking the cadaverine-evoked effects. Early stage breast cancer patients, versus control women, had reduced abundance of the CadA and LdcC genes in fecal DNA, both responsible for bacterial cadaverine production. Moreover, we found low protein expression of E. coli LdcC in the feces of stage 1 breast cancer patients. In addition, higher expression of lysine decarboxylase resulted in a prolonged survival among early-stage breast cancer patients. Taken together, cadaverine production seems to be a regulator of early breast cancer.
Oxo-aglaiastatin-Mediated Inhibition of Translation Initiation
Authors: Itoua Maïga Rayelle , Cencic Regina , Chu Jennifer , Waller Daniel D. , Brown Lauren E. , Devine William G. , Zhang Wenhan , Sebag Michael , Porco John A. , Pelletier Jerry 
Published: February 2019

AbstractTranslation is a highly regulated process that is perturbed in human cancers, often through activation of the PI3K/mTOR pathway which impacts directly on the ribosome recruitment phase of translation initiation. While significant research has focused on “drugging” components of the PI3K/mTOR network, efforts have also been directed towards inhibiting eukaryotic initiation factor (eIF) 4F-dependent translation. Small molecule inhibitors of this complex have been identified, characterized, and used to validate the rationale of targeting this step to curtail tumor cell growth and modulate chemotherapy response. One such class of compounds are the rocaglates, secondary metabolites from the plant genus Aglaia, which target the RNA helicase subunit of eIF4F, eIF4A. Here we explore the ability of synthetic derivatives of aglaiastatins and an aglaroxin derivative to target the translation process in vitro and in vivo and find the synthetic derivative oxo-aglaiastatin to possess such activity. Oxo-aglaiastatin inhibited translation in vitro and in vivo and synergized with doxorubicin, ABT-199 (a Bcl-2 antagonist), and dexamethasone when tested on hematological cancer cells. The biological activity of oxo-aglaiastatin was shown to be a consequence of inhibiting eIF4A1 activity.
Molecular evidence for distinct modes of nutrient acquisition between visceral and neurotropic schistosomes of birds
Authors: Leontovyč Roman , Young Neil D. , Korhonen Pasi K. , Hall Ross S. , Bulantová Jana , Jeřábková Veronika , Kašný Martin , Gasser Robin B. , Horák Petr 
Published: February 2019

AbstractTrichobilharzia species are parasitic flatworms (called schistosomes or flukes) that cause important diseases in birds and humans, but very little is known about their molecular biology. Here, using a transcriptomics-bioinformatics-based approach, we explored molecular aspects pertaining to the nutritional requirements of Trichobilharzia szidati (‘visceral fluke’) and T. regenti (‘neurotropic fluke’) in their avian host. We studied the larvae of each species before they enter (cercariae) and as they migrate (schistosomules) through distinct tissues in their avian (duck) host. Cercariae of both species were enriched for pathways or molecules associated predominantly with carbohydrate metabolism, oxidative phosphorylation and translation of proteins linked to ribosome biogenesis, exosome production and/or lipid biogenesis. Schistosomules of both species were enriched for pathways or molecules associated with processes including signal transduction, cell turnover and motility, DNA replication and repair, molecular transport and/or catabolism. Comparative informatic analyses identified molecular repertoires (within, e.g., peptidases and secretory proteins) in schistosomules that can broadly degrade macromolecules in both T. szidati and T. regenti, and others that are tailored to each species to selectively acquire nutrients from particular tissues through which it migrates. Thus, this study provides molecular evidence for distinct modes of nutrient acquisition between the visceral and neurotropic flukes of birds.
Intraoperative but not postoperative blood transfusion adversely affect cancer recurrence and survival following nephrectomy for renal cell carcinoma
Authors: Abu-Ghanem Yasmin , Dotan Zohar , Zilberman Dorit E. , Kaver Issac , Ramon Jacob 
Published: February 2019

AbstractThe association between perioperative blood transfusion (PBT) with adverse oncological outcomes have been previously reported in multiple malignancies including RCC. Nevertheless, the importance of transfusion timing is still unclear. The primary purpose of this study is to appraise whether the receipt of intraoperative blood transfusion (BT) differ from postoperative BT in regards to cancer outcomes in renal cell carcinoma (RCC) patients treated with nephrectomy. Data on 1168 patients with RCC, who underwent radical or partial nephrectomy as primary therapy between 1988–2013 were analyzed. PBT was defined as transfusion of allogeneic red blood cells (RBC) during surgery or the postsurgical period. Survival was analyzed and compared using the Kaplan–Meier method with the log-rank test. Of 1168 patients, 198 patients (16.9%) received a PBT. Including 117 intraoperative BT and 81 postoperative BT. Only 21 (10.6%) patients required both intraoperative and postoperative BT. On multivariate analyses, receipt of PBT was associated with significantly worse local disease recurrence (HR: 2.4; P = 0.017), metastatic progression (HR: 2.7; P = 0.005), cancer-specific mortality (HR: 3.5; P = 0.002) and all-cause mortality (HR: 2.1; P = 0.005). Nevertheless, postoperative BT wasnotindependently associated with increased risk of local recurrence (p = 0.1), metastatic progression (P = 0.16) or kidney cancer death (P = 0.63), yet did significantly increase the risk of overall mortality (HR: 2.6; P = 0.004). In the current study, intraoperative transfusion of allogeneic RBC is associated with increased risks of cancer recurrence and mortality following nephrectomy.