bluuebunny/crossref_metadata_2025 huggingface dataset:
mtDNA analysis confirms the endangered Kashmir musk deer extends its range to Nepal
Authors: Singh Paras Bikram , Khatiwada Janak Raj , Saud Pradip , Jiang Zhigang
Published: March 2019

Musk deerMoschusspp. are endemic to the high mountain forests of central Asia. The taxonomic status of musk deer in the central and western Himalayas is poorly understood. We investigated the phylogenetic relationship of musk deer from the central and western Himalayas based on mitochondrial genomic data of Cytochrome b (380 bps) and D-loop (1000 bps). Our results distinguished two divergent lineages using higher bootstrap support (bs) values from the Maximum likelihood and Bayesian posterior probabilities (bpp). Both the Manang and Kaski lineages from central Nepal are confirmed as Himalayan musk deerMoschus leucogasterand represent a species complex widespread throughout the central and eastern Himalayan region. The musk deer Mustang lineage was confirmed as Kashmir musk deerMoschus cupreusand has wide distribution in the western Himalayas (from central Nepal to Afghanistan). Our analysis validates that Kashmir musk deer is a genetically distinct species and it clarifies that Himalayan musk deer and Kashmir musk deer are confirmed instead of Alpine musk deerMoschus chrysogasterwhich has been previously described from the southern parts of Himalayas of Nepal, India and Pakistan.
Epitope mapping of diverse influenza Hemagglutinin drug candidates using HDX-MS
Authors: Puchades Cristina , Kűkrer Başak , Diefenbach Otto , Sneekes-Vriese Eveline , Juraszek Jarek , Koudstaal Wouter , Apetri Adrian
Published: March 2019

Epitope characterization is critical for elucidating the mechanism of action of drug candidates. However, traditional high-resolution epitope mapping techniques are not well suited for screening numerous drug candidates recognizing a similar target. Here, we use Hydrogen-Deuterium Exchange Mass Spectrometry (HDX-MS) to explore the conformational impact of diverse drug molecules binding on Hemagglutinin (HA), the major surface antigen of influenza viruses. We optimized a semi-automated HDX-MS workflow to systematically probe distantly related HA subtypes in complex with 4 different drug candidates, ranging from a monoclonal antibody to a small synthetic peptide. This fast, cost-effective HDX-MS epitope mapping approach accurately determined the main antigenic site in all cases. Moreover, our studies reveal distinct changes in the local conformational dynamics of HA associated to the molecular mechanism of neutralization, establishing a marker for broad anti-HA activity. Taken together, these findings highlight the potential for HDX-MS epitope mapping-based screening to identify promising candidates against HA at early stages of drug discovery.
Uncertainty and hotspots in 21st century projections of agricultural drought from CMIP5 models
Authors: Lu Junyu , Carbone Gregory J. , Grego John M.
Published: March 2019

Future climate changes could alter hydrometeorological patterns and change the nature of droughts at global to regional scales. However, there are considerable uncertainties in future drought projections. Here, we focus on agricultural drought by analyzing surface soil moisture outputs from CMIP5 multi-model ensembles (MMEs) under RCP2.6, RCP4.5, RCP6.0, and RCP8.5 scenarios. First, the annual mean soil moisture by the end of the 21st century shows statistically significant large-scale drying and limited areas of wetting for all scenarios, with stronger drying as the strength of radiative forcing increases. Second, the MME mean spatial extent of severe drought is projected to increase for all regions and all future RCP scenarios, and most notably in Central America (CAM), Europe and Mediterranean (EUM), Tropical South America (TSA), and South Africa (SAF). Third, the model uncertainty presents the largest source of uncertainty (over 80%) across the entire 21st century among the three sources of uncertainty: internal variability, model uncertainty, and scenario uncertainty. Finally, we find that the spatial pattern and magnitude of annual and seasonal signal to noise (S/N) in soil moisture anomalies do not change significantly by lead time, indicating that the spreads of uncertainties become larger as the signals become stronger.
Moderate Nucleoporin 133 deficiency leads to glomerular damage in zebrafish
Authors: Cianciolo Cosentino Chiara , Berto Alessandro , Pelletier Stéphane , Hari Michelle , Loffing Johannes , Neuhauss Stephan C. F. , Doye Valérie
Published: March 2019

Although structural nuclear pore proteins (nucleoporins) are seemingly required in every cell type to assemble a functional nuclear transport machinery, mutations or deregulation of a subset of them have been associated with specific human hereditary diseases. In particular, previous genetic studies of patients with nephrotic syndrome identified mutations in Nup107 that impaired the expression or the localization of its direct partner at nuclear pores, Nup133. In the present study, we characterized the zebrafish nup133 orthologous gene and its expression pattern during larval development. Using a morpholino-mediated gene knockdown, we show that partial depletion of Nup133 in zebrafish larvae leads to the formation of kidney cysts, a phenotype that can be rescued by co-injection of wild type mRNA. Analysis of different markers for tubular and glomerular development shows that the overall kidney development is not affected by nup133 knockdown. Likewise, no gross defect in nuclear pore complex assembly was observed in these nup133 morphants. On the other hand, nup133 downregulation results in proteinuria and moderate foot process effacement, mimicking some of the abnormalities typically featured by patients with nephrotic syndrome. These data indicate that nup133 is a new gene required for proper glomerular structure and function in zebrafish.
Eco-physiological responses of copepods and pteropods to ocean warming and acidification
Authors: Engström-Öst J. , Glippa O. , Feely R. A. , Kanerva M. , Keister J. E. , Alin S. R. , Carter B. R. , McLaskey A. K. , Vuori K. A. , Bednaršek N.
Published: March 2019

We compare physiological responses of the crustacean copepod Calanus pacificus and pelagic pteropod mollusk Limacina helicina to ocean temperatures and pH by measuring biomarkers of oxidative stress, antioxidant defences, and the activity of the respiratory electron transport system in organisms collected on the 2016 West Coast Ocean Acidification cruise in the California Current System. Copepods and pteropods exhibited strong but divergent responses in the same habitat; copepods had higher oxygen-reactive absorbance capacity, glutathione-S-transferase, and total glutathione content. The ratio between reduced to oxidised glutathione was higher in copepods than in pteropods, indicating lower oxidative stress in copepods. Pteropods showed higher activities of glutathione reductase, catalase, and lipid peroxidation, indicating increased antioxidant defences and oxidative stress. Thus, the antioxidant defence system of the copepods has a greater capacity to respond to oxidative stress, while pteropods already face severe stress and show limited capacity to deal with further changes. The results suggest that copepods have higher adaptive potential, owing to their stronger vertical migration behaviour and efficient glutathione metabolism, whereas pteropods run the risk of oxidative stress and mortality under high CO2 conditions. Our results provide a unique dataset and evidence of stress-inducing mechanisms behind pteropod ocean acidification responses.
On a new crested pterodactyloid from the Early Cretaceous of the Iberian Peninsula and the radiation of the clade Anhangueria
Authors: Holgado Borja , Pêgas Rodrigo V. , Canudo José Ignacio , Fortuny Josep , Rodrigues Taissa , Company Julio , Kellner Alexander W. A.
Published: March 2019

The pterosaur record from the Iberian Peninsula is mostly scarce and undefined, but in the last few years some new taxa have been described from different Lower Cretaceous sites of Spain. Here we describe a new genus and species of toothed pterodactyloid pterosaur from the Barremian of the Iberian Peninsula, Iberodactylus andreui gen. et sp. nov., that shows a close and rather unexpected relationship with Hamipterus tianshanensis from China. A review of the phylogenetic relationships of the Anhangueria reveals a new family of pterodactyloid pterosaurs, the Hamipteridae fam. nov. being recovered as sister-group of the Anhangueridae. This latter clade can be in turn divided into the new clades Anhanguerinae and Coloborhynchinae. The close relationships of Iberodactylus and Hamipterus shows an interesting palaeobiogeographical correlation between the Chinese and Iberian pterosaur faunas during the Barremian (Lower Cretaceous). The discovery of Iberodactylus strongly suggests that the clade Anhangueria has clear ancestral ties in eastern Laurasia.
Comparison of supine or prone crawl photon or proton breast and regional lymph node radiation therapy including the internal mammary chain
Authors: Speleers Bruno A. , Belosi Francesca M. , De Gersem Werner R. , Deseyne Pieter R. , Paelinck Leen M. , Bolsi Alessandra , Lomax Antony J. , Boute Bert G. , Van Greveling Annick E. , Monten Christel M. , Van de Velde Joris J. , Vercauteren Tom H. , Veldeman Liv , Weber Damien C. , De Neve Wilfried C.
Published: March 2019

We report on a dosimetrical study comparing supine (S) and prone-crawl (P) position for radiotherapy of whole breast (WB) and loco-regional lymph node regions, including the internal mammary chain (LN_IM). Six left sided breast cancer patients were CT-simulated in S and P positions and four patients only in P position. Treatment plans were made using non-coplanar volumetric modulated arc photon therapy (VMAT) or pencil beam scanning intensity modulated proton therapy (IMPT). Dose prescription was 15*2.67 Gy(GyRBE). The average mean heart doses for S or P VMAT were 5.6 or 4.3 Gy, respectively (p = 0.16) and 1.02 or 1.08 GyRBE, respectively for IMPT (p = 0.8; p < 0.001 for IMPT versus VMAT). The average mean lung doses for S or P VMAT were 5.91 or 2.90 Gy, respectively (p = 0.002) and 1.56 or 1.09 GyRBE, respectively for IMPT (p = 0.016). In high-risk patients, average (range) thirty-year mortality rates from radiotherapy-related cardiac injury and lung cancer were estimated at 6.8(5.4–9.4)% or 3.8(2.8–5.1)% for S or P VMAT (p < 0.001), respectively, and 1.6(1.1–2.0)% or 1.2(0.8–1.6)% for S or P IMPT (p = 0.25), respectively. Radiation-related mortality risk could outweigh the ~8% disease-specific survival benefit of WB + LN_IM radiotherapy for S VMAT but not P VMAT. IMPT carries the lowest radiation-related mortality risks.
Non-canonical WNT-signaling controls differentiation of lymphatics and extension lymphangiogenesis via RAC and JNK signaling
Authors: Lutze Grit , Haarmann Anna , Demanou Toukam Jules A. , Buttler Kerstin , Wilting Jörg , Becker Jürgen
Published: March 2019

Development of lymphatics takes place during embryogenesis, wound healing, inflammation, and cancer. We previously showed that Wnt5a is an essential regulator of lymphatic development in the dermis of mice, however, the mechanisms of action remained unclear. Here, whole-mount immunostaining shows that embryonic day (ED) 18.5 Wnt5a-null mice possess non-functional, cyst-like and often blood-filled lymphatics, in contrast to slender, interconnected lymphatic networks of Wnt5a+/−and wild-type (wt) mice. We then compared lymphatic endothelial cell (LEC) proliferation during ED 12.5, 14.5, 16.5 and 18.5 between Wnt5a−/−, Wnt5a+/−and wt-mice. We did not observe any differences, clearly showing that Wnt5a acts independently of proliferation. Transmission electron microscopy revealed multiple defects of LECs in Wnt5a-null mice, such as malformed inter-endothelial junctions, ruffled cell membrane, intra-luminal bulging of nuclei and cytoplasmic processes. Application of WNT5A protein toex vivocultures of dorsal thoracic dermis from ED 15.5 Wnt5a-null mice induced flow-independent development of slender, elongated lymphatic networks after 2 days, in contrast to controls showing an immature lymphatic plexus. Reversely, the application of the WNT-secretion inhibitor LGK974 on ED 15.5 wt-mouse dermis significantly prevented lymphatic network elongation. Correspondingly, tube formation assays with human dermal LECsin vitrorevealed increased tube length after WNT5A application. To study the intracellular signaling of WNT5A we used LEC scratch assays. Thereby, inhibition of autocrine WNTs suppressed horizontal migration, whereas application of WNT5A to inhibitor-treated LECs promoted migration. Inhibition of the RHO-GTPase RAC, or the c-Jun N-terminal kinase JNK significantly reduced migration, whereas inhibitors of the protein kinase ROCK did not. WNT5A induced transient phosphorylation of JNK in LECs, which could be inhibited by RAC- and JNK-inhibitors. Our data show that WNT5A induces formation of elongated lymphatic networks through proliferation-independent WNT-signaling via RAC and JNK. Non-canonical WNT-signaling is a major mechanism of extension lymphangiogenesis, and also controls differentiation of lymphatics.
Adipocyte lipolysis affects Perilipin 5 and cristae organization at the cardiac lipid droplet-mitochondrial interface
Authors: Varghese Mita , Kimler Victoria A. , Ghazi Fariha R. , Rathore Gurnoor K. , Perkins Guy A. , Ellisman Mark H. , Granneman James G.
Published: March 2019

This study investigated the effects of elevated fatty acid (FA) supply from adipose tissue on the ultrastructure of cardiac lipid droplets (LDs) and the expression and organization of LD scaffold proteins perilipin-2 (PLIN2) and perilipin-5 (PLIN5). Stimulation of adipocyte lipolysis by fasting (24 h) or β3-adrenergic receptor activation by CL316, 243 (CL) increased cardiac triacylglycerol (TAG) levels and LD size, whereas CL treatment also increased LD number. LDs were tightly associated with mitochondria, which was maintained during LD expansion. Electron tomography (ET) studies revealed continuity of LD and smooth endoplasmic reticulum (SER), suggesting interconnections among LDs. Under fed ad libitum conditions, the cristae of mitochondria that apposed LD were mostly organized perpendicularly to the tangent of the LD surface. Fasting significantly reduced, whereas CL treatment greatly increased, the perpendicular alignment of mitochondrial cristae. Fasting and CL treatment strongly upregulated PLIN5 protein and PLIN2 to a lesser extent. Immunofluorescence and immuno-electron microscopy demonstrated strong targeting of PLIN5 to the cardiac LD-mitochondrial interface, but not to the mitochondrial matrix. CL treatment augmented PLIN5 targeting to the LD-mitochondrial interface, whereas PLIN2 was not significantly affected. Together, our results support the concept that the interface between LD and cardiac mitochondria represents an organized and dynamic “metabolic synapse” that is highly responsive to FA trafficking.
Plasma ATG5 is increased in Alzheimer’s disease
Authors: Cho Sun-Jung , Lim Hyun Joung , Jo Chulman , Park Moon Ho , Han Changsu , Koh Young Ho
Published: March 2019

Alzheimer’s disease (AD) is a major cause of dementia. Growing evidence suggests that dysregulation of autophagy, a cellular mechanism essential for self-digestion of damaged proteins and organelles, is involved in neurological degenerative diseases including AD. Previously, we reported that autophagosomes are increased in the brains of AD mouse model. However, the plasma levels of autophagic markers have not yet been investigated in patients with AD. In this study, we investigated the expression of autophagy-related genes 5 and 12 (ATG5 and ATG12, respectively) in cells in vitro upon amyloid-beta (Aβ) treatment and in the plasma of AD patients. ATG5-ATG12 complex levels were increased in primary rat cortical neurons and human umbilical vein endothelial cells after Aβ treatment. Furthermore, we compared plasma from 69 patients with dementia, 82 patients with mild cognitive impairment (MCI), and 127 cognitively normal control participants. Plasma levels of ATG5 were significantly elevated in patients with dementia (149.3 ± 7.5 ng/mL) or MCI (152.9 ± 6.9 ng/mL) compared with the control subjects (129.0 ± 4.1 ng/mL) (p = 0.034, p = 0.016, respectively). Our results indicate that alterations in the plasma ATG5 levels might be a potential biomarker in patients at risk for AD.
Structural determinants of inhibition of Porphyromonas gingivalis gingipain K by KYT-36, a potent, selective, and bioavailable peptidase inhibitor
Authors: Guevara Tibisay , Rodríguez-Banqueri Arturo , Lasica Anna M. , Ksiazek Miroslaw , Potempa Barbara A. , Potempa Jan , Gomis-Rüth F. Xavier
Published: March 2019

Porphyromonas gingivalis is a member of the dysbiotic oral microbiome and a “keystone pathogen” that causes severe periodontal disease, which is among the most prevalent infectious diseases. Part of the virulence factors secreted by P. gingivalis are the essential cysteine peptidases gingipain K (Kgp) and R (RgpA and RgpB), which account for 85% of the extracellular proteolytic activity of the pathogen and are thus prime targets for inhibition. We report the high-resolution (1.20 Å) complex structure of Kgp with KYT-36, a peptide-derived, potent, bioavailable and highly selective inhibitor, which is widely used for studies in vitro, in cells and in vivo. Sub-nanomolar inhibition of Kgp is achieved by tight binding to the active-site cleft, which is covered for its sub-sites S3 through S1’ under establishment of nine hydrophobic interactions, 14 hydrogen bonds and one salt bridge. In addition, an inhibitor carbonyl carbon that mimics the scissile carbonyl of substrates is pyramidalized and just 2.02 Å away from the catalytic nucleophile of Kgp, C477Sγ. Thus, the crystal structure emulates a reaction intermediate of the first nucleophilic attack during catalysis of cysteine peptidases. The present study sets the pace for the development of tailored next-generation drugs to tackle P. gingivalis.
Development of a 13C Stable Isotope Assay for Dipeptidyl Peptidase-4 Enzyme Activity A New Breath Test for Dipeptidyl Peptidase Activity
Authors: Yazbeck Roger , Jaenisch Simone , Squire Michelle , Abbott Catherine A. , Parkinson-Lawrence Emma , Brooks Douglas A. , Butler Ross N.
Published: March 2019

Dipeptidyl peptidase-4 inhibitors (DPP4i) are a class of orally available, small molecule inhibitors for the management of Type-II diabetes. A rapid, real-time, functional breath test for DPP4 enzyme activity could help to define DPP4i efficacy in patients that are refractory to treatment. We aimed to develop a selective, non-invasive, stable-isotope 13C-breath test for DPP4. In vitro experiments were performed using high (Caco-2) and low (HeLa) DPP4 expressing cells. DPP gene expression was determined in cell lines by qRT-PCR. A DPP4 selective 13C-tripeptide was added to cells in the presence and absence of the DPP4 inhibitor Sitagliptin. Gas samples were collected from the cell headspace and 13CO2 content quantified by isotope ratio mass spectrometry (IRMS). DPP4 was highly expressed in Caco-2 cells compared to HeLa cells and using the 13C-tripeptide, we detected a high 13CO2 signal from Caco2 cells. Addition of Sitaglitpin to Caco2 cells significantly inhibited this 13CO2 signal. 13C-assay DPP4 activity correlated positively with the enzyme activity detected using a colorimetric substrate. We have developed a selective, non-invasive, 13C-assay for DPP4 that could have broad translational applications in diabetes and gastrointestinal disease.
Oligomeric self-association contributes to E2A-PBX1-mediated oncogenesis
Authors: Lin Chiou-Hong , Wang Zhong , Duque-Afonso Jesús , Wong Stephen Hon-Kit , Demeter Janos , Loktev Alexander V. , Somervaille Tim C. P. , Jackson Peter K. , Cleary Michael L.
Published: March 2019

The PBX1 homeodomain transcription factor is converted by t(1;19) chromosomal translocations in acute leukemia into the chimeric E2A-PBX1 oncoprotein. Fusion with E2A confers potent transcriptional activation and constitutive nuclear localization, bypassing the need for dimerization with protein partners that normally stabilize and regulate import of PBX1 into the nucleus, but the mechanisms underlying its oncogenic activation are incompletely defined. We demonstrate here that E2A-PBX1 self-associates through the PBX1 PBC-B domain of the chimeric protein to form higher-order oligomers in t(1;19) human leukemia cells, and that this property is required for oncogenic activity. Structural and functional studies indicate that self-association facilitates the binding of E2A-PBX1 to DNA. Mutants unable to self-associate are transformation defective, however their oncogenic activity is rescued by the synthetic oligomerization domain of FKBP, which confers conditional transformation properties on E2A-PBX1. In contrast to self-association, PBX1 protein domains that mediate interactions with HOX DNA-binding partners are dispensable. These studies suggest that oligomeric self-association may compensate for the inability of monomeric E2A-PBX1 to stably bind DNA and circumvents protein interactions that otherwise modulate PBX1 stability, nuclear localization, DNA binding, and transcriptional activity. The unique dependence on self-association for E2A-PBX1 oncogenic activity suggests potential approaches for mechanism-based targeted therapies.
A Wide-Area Coverage 35 Gb/s Visible Light Communications Link for Indoor Wireless Applications
Authors: Chun Hyunchae , Gomez Ariel , Quintana Crisanto , Zhang Weida , Faulkner Grahame , O’Brien Dominic
Published: March 2019

Visible Light Communications (VLC) can provide both illumination and communications and offers a means to alleviate the predicted spectrum crunch for radio-frequency wireless communications. In this paper, we report a laser diode based white-light communications link that operates over a wide area and supports high data rates. The proposed system is a four-colour multiplexed high-speed VLC system that uses a microelectromechanical system (MEMS) mirror-based beam-steering. The system operates at record data-rates of more than 35 Gb/s (Bit Error Rate(BER) < 3.8 × 10−3) with a coverage area of 39 m2 at a link distance of 4 m. To the best of our knowledge this is the fastest VLC demonstration reported thus far. The paper also addresses issues of eye-safety, showing data rates of  more than 10 Gb/s are feasible.
Huge decrease of frost frequency in the Mont-Blanc Massif under climate change
Authors: Pohl Benjamin , Joly Daniel , Pergaud Julien , Buoncristiani Jean-François , Soare Paul , Berger Alexandre
Published: March 2019

Mountains are a sensitive indicator of climate change and these areas are an early glimpse of what could happen in lowland environments. Peaking at 4808 m asl, the Mont-Blanc summit, at the boundary between France and Italy, is the highest of the Alps, in Western Europe. Its Massif is world-famous for outdoor and extreme sport activities, especially since the 1924 Olympic games held in Chamonix. Here, we use a novel statistical downscaling approach to regionalize current and future climate change over the Mont-Blanc Massif at an unequalled spatial resolution of 200 m. The algorithm is applied to daily minimum and maximum temperature derived from global climate models used in the fifth assessment report of the International Panel on Climate Change (IPCC). This new high-resolution database allows for a precise quantification of frost occurrence and its evolution until 2100. In the winter season and by the end of the 21st century, under a pessimistic scenario (RCP8.5), frost frequency in the morning could decrease by 30–35 percentage points in the valley of Chamonix, and in the afternoon, similar changes could occur for elevations comprised between 2000 and 3000 m. In summertime, changes are even larger, reaching a huge drop of 45–50 points in the afternoon between 3500 and 4500 m. These changes are much reduced under an optimistic scenario. They could have huge impacts on the environment (glacier shrinking, permafrost degradation, floods, changes in the distribution of species and ecosystems) and societies (summer tourism for climbing and hiking, and winter tourism for skiing).
Aggregatibacter actinomycetemcomitans mediates protection of Porphyromonas gingivalis from Streptococcus sanguinis hydrogen peroxide production in multi-species biofilms
Authors: Zhu Bin , Macleod Lorna C. , Newsome Eric , Liu Jinlin , Xu Ping
Published: March 2019

Mixed species biofilms are shaped and influenced by interactions between species. In the oral cavity, dysbiosis of the microbiome leads to diseases such as periodontitis. Porphyromonas gingivalis is a keystone pathogen of periodontitis. In this study, we showed that polymicrobial biofilm formation promoted the tolerance of Porphyromonas gingivalis to oxidative stress under micro-aerobic conditions. The presence of Streptococcus sanguinis, an oral commensal bacterium, inhibited the survival of P. gingivalis in dual-species biofilms via the secretion of hydrogen peroxide (H2O2). Interestingly, this repression could be attenuated by the presence of Aggregatibacter actinomycetemcomitans in tri-species biofilms. It was also shown that the katA gene, encoding a cytoplasmic catalase in A. actinomycetemcomitans, was responsible for the reduction of H2O2 produced by S. sanguinis, which consequently increased the biomass of P. gingivalis in tri-species biofilms. Collectively, these findings reveal that polymicrobial interactions play important roles in shaping bacterial community in biofilm. The existence of catalase producers may support the colonization of pathogens vulnerable to H2O2, in the oral cavity. The catalase may be a potential drug target to aid in the prevention of periodontitis.
Electron diffraction tomography and X-ray powder diffraction on photoredox catalyst PDI
Authors: Bodach Alexander , Zhao Haishuang , Liu Nai-Wei , Alig Edith , Manolikakes Georg , Kolb Ute , Fink Lothar
Published: March 2019

The crystal structure of photoredox catalyst PDI-iPr was determined by a combination of electron diffraction tomography and XRPD.
Implementing the mechanical force into the conceptual DFT framework: understanding and predicting molecular mechanochemical properties
Authors: Bettens Tom , Alonso Mercedes , Geerlings Paul , De Proft Frank
Published: March 2019

Studying mechanochemical properties through the implementation of the mechanical force into the conceptual DFT framework (E = E[N,v,Fext]).
Applying low-temperature titration for determination of metallic sites on active oxide supported catalysts
Authors: Liu Zebang , Li Jerry Pui Ho , Qi Xiaomian , Dai Yunqian , Yang Yong
Published: March 2019

A customized apparatus with online MS is used for chemisorption measurements, providing high sensitivity, demonstrated on Pt and Cu catalysts.
Exploring the detection of microcystin-LR using polar organic chemical integrative samplers (POCIS)
Authors: Brophy Michael J. , Mackie Allison L. , Park Yuri , Gagnon Graham A.
Published: March 2019

Polar organic chemical integrative samplers (POCIS) were used in this study to explore passive sampling for the detection of microcystin-LR (MC-LR).
Inhibiting the PI3K/AKT/NF-κB signal pathway with nobiletin for attenuating the development of osteoarthritis:in vitroandin vivostudies
Authors: Xie Linzhen , Xie Huanguang , Chen Chunhui , Tao Zhenyu , Zhang Chuanxu , Cai Leyi
Published: March 2019

Osteoarthritis (OA), an age-related degenerative disease, is characterized by progressive degradation of the articular cartilage.
Multi-point interaction-based recognition of fluoride ions by tert-butyldihomooxacalix[4]arenes bearing phenolic hydroxyls and thiourea
Authors: Zhao Ling-Ling , Yang Xiao-Song , Chong Hui , Wang Yang , Yan Chao-Guo
Published: March 2019

A series of p-tert-butyldihomooxacalix[4]arenes bearing phenolic hydroxyls and thiourea moieties were prepared to investigate their anion binding behavior.
Mesoporous N-doped graphene prepared by a soft-template method with high performance in Li–S batteries
Authors: Tang Tianyu , Zhang Teng , Li Wei , Huang Xiaoxiao , Wang Xiaobai , Qiu Hailong , Hou Yanglong
Published: March 2019

High surface area and large total pore volume facilitate the uniform distribution of sulfur in an Li–S battery, achieving improved performance.
Laser irradiation affects the biological identity and cellular uptake of plasmonic nanoparticles
Authors: Hashemi Fatemeh , Hormozi-Nezhad Mohammad Reza , Corbo Claudia , Farvadi Fakhrossadat , Shokrgozar Mohammad Ali , Mehrjoo Morteza , Atyabi Fatemeh , Ghahremani Mohammad Hossein , Mahmoudi Morteza , Dinarvand Rassoul
Published: March 2019

Laser activation of plasmonic nanoparticles changes their biological identity and consequently affects nanoparticle-cell interactions.
Drying of electrically conductive hybrid polymer–gold nanorods studied with in situ microbeam GISAXS
Authors: Zhang Peng , Reiser Beate , González-García Lola , Beck Sebastian , Drzic Juraj , Kraus Tobias
Published: March 2019

Gold nanorods (AuNRs) with conductive polymer shells are interesting colloidal building blocks for electronics.
Excimer ultraviolet-irradiated exfoliated graphite loaded with carbon-coated SnOx small nanoparticles as advanced anodes for high-rate-capacity lithium-ion batteries
Authors: Shen Zhen , Hu Yi , Chen Renzhong , He Xia , Wu Keshi , Cheng Zhongling , Pan Peng , Jiang Liyuan , Mao Jieting , Ni Changke
Published: March 2019

Excimer UV radiation technology is used to quickly prepare a SnOx small nanoparticle-loaded exfoliated graphite anode for high-rate lithium-ion batteries.
Effects of a low-strength magnetic field on the characteristics of activated sludge for membrane fouling mitigation
Authors: Zhijun Ren , Pengfei Wang , Jiayu Tian , Zhiliu Zhang
Published: March 2019

This study aims to investigate the performance of a low-strength magnetic field in membrane bioreactors (MBRs) for membrane fouling mitigation and its effects on sludge characteristics and microbial community.
Green synthesis and in situ immobilization of gold nanoparticles and their application for the reduction of p-nitrophenol in continuous-flow mode
Authors: Szűcs Rózsa , Balogh-Weiser Diána , Sánta-Bell Evelin , Tóth-Szeles Eszter , Varga Tamás , Kónya Zoltán , Poppe László , Lagzi István
Published: March 2019

Gold nanoparticles synthesized using agarose and supported in macroporous polymer beads were used in continuous-flow mode in reduction of p-nitrophenol by sodium borohydride.
Peptide-based capsules with chirality-controlled functionalized interiors – rational design and amplification from dynamic combinatorial libraries
Authors: Jędrzejewska Hanna , Szumna Agnieszka
Published: March 2019

Self-assembled capsules were designed by two approaches and synthesized using azapeptides of various chiralities attached to resorcin[4]arene by semicarbazone linkers.
Collagen networks determine viscoelastic properties of connective tissues yet do not hinder diffusion of the aqueous solvent
Authors: Sauer Frank , Oswald Linda , Ariza de Schellenberger Angela , Tzschätzsch Heiko , Schrank Felix , Fischer Tony , Braun Jürgen , Mierke Claudia Tanja , Valiullin Rustem , Sack Ingolf , Käs Josef Alfons
Published: March 2019

Novel tabletop MRE reveals loss of viscoelastic power law behavior in structurally unchanged collagen gels after intrafibrillar crosslinking.
MOFs-derived Co9S8-embedded graphene/hollow carbon spheres film with macroporous frameworks for hybrid supercapacitors with superior volumetric energy density
Authors: Niu Haoting , Zhang Yong , Liu Yu , Luo Bifu , Xin Na , Shi Weidong
Published: March 2019

Electrode materials with macroporous structures have desirable structural advantages, which can provide excellent reaction sites for electrons and ions.
Accurate intracellular and in vivo temperature sensing based on CuInS2/ZnS QD micelles
Authors: Zhang Hui , Wu Youshen , Gan Zhenhai , Yang Yuexuan , Liu Yiming , Tang Peng , Wu Daocheng
Published: March 2019

We found that core–shell CuInS2/ZnS QDs have obvious temperature dependence and they can be used for accurate intracellular and in vivo temperature sensing after being encapsulated by micelles, which exhibit high intracellular and in vivo thermal sensitivity.
Microfluidic analysis of fentanyl-laced heroin samples by surface-enhanced Raman spectroscopy in a hydrophobic medium
Authors: Salemmilani Reza , Moskovits Martin , Meinhart Carl D.
Published: March 2019

Opioid overdose deaths resulting from heroin contaminated with the potent opioid agonist fentanyl, are currently a serious public health issue.
A mitochondria targeting artesunate prodrug-loaded nanoparticle exerting anticancer activityviairon-mediated generation of the reactive oxygen species
Authors: Chen Zhigang , Kang Xiaoxu , Wu Yixin , Xiao Haihua , Cai Xuzi , Sheng Shihou , Wang Xuefeng , Chen Shiguo
Published: March 2019

An artesunate anticancer prodrug with a long aliphatic chainN,N′-bis(dodecyl)-l-glutamic diamide was developed for nanoparticleviairon-mediated ROS generation.
Cation-controlled catalysis with crown ether-containing transition metal complexes
Authors: Yoo Changho , Dodge Henry M. , Miller Alexander J. M.
Published: March 2019

This Feature Article reviews the structural motifs and catalytic applications of crown ether-containing catalysts and details the development of “pincer-crown ether” ligands for applications in controlled catalysis.
Redox-responsive phosphonite gold complexes in hydroamination catalysis
Authors: Deck Eva , Wagner Hanna E. , Paradies Jan , Breher Frank
Published: March 2019

Very high activities were observed in the redox-induced hydroamination of alkynes by employing a redox-active gold(i) complex featuring an electron-deficient, terphenyl-substituted phosphonite-based ligand.
Strong anisotropic nodal lines in the TiBe family
Authors: Zou Z. C. , Zhou P. , Ma Z. S. , Sun L. Z.
Published: March 2019

Using first-principles calculations and k·p model analysis, we find that Dirac nodal lines (DNLs) exist in low energy band structures of real materials of the body-centered cubic TiBe family.
Photocatalytic water splitting employing a [Fe(CN)6]3−/4− redox mediator under visible light
Authors: Miseki Yugo , Sayama Kazuhiro
Published: March 2019

Surface-modified WO3, as an oxygen evolution photocatalyst for Z-scheme water splitting employing a [Fe(CN)6]3−/4− redox mediator, is successfully constructed.
Surface functionalization of MIL-101(Cr) by aminated mesoporous silica and improved adsorption selectivity toward special metal ions
Authors: Quan Xueping , Sun Zhongqiao , Meng Hao , Han Yide , Wu Junbiao , Xu Junli , Xu Yan , Zhang Xia
Published: March 2019

Developing novel solid adsorbents with high efficiency and excellent selectivity is always an important target in the removal of toxic metal ions from waste water.
On the preferences of five-membered chelate rings in coordination chemistry: insights from the Cambridge Structural Database and theoretical calculations
Authors: Bazargan Maryam , Mirzaei Masoud , Franconetti Antonio , Frontera Antonio
Published: March 2019

We illustrate, combining experimental and theoretical results, that the five-membered chelate ring is able to adapt itself to a great variety of metal ions.
Visible-light-induced cascade radical ring-closure and pyridylation for the synthesis of tetrahydrofurans
Authors: Kim Yechan , Lee Kangjae , Mathi Gangadhar Rao , Kim Inwon , Hong Sungwoo
Published: March 2019

A novel visible-light-enabled alkoxy radical ring-closure and pyridylation from N-alkenyloxypyridinium salts was achieved under metal-free mild conditions, offering a powerful synthetic tool for assembling various pyridine-tethered tetrahydrofurans.
A quantitative description of photoluminescence efficiency of a carbazole-based thermally activated delayed fluorescence emitter
Authors: Feng Songyan , Guo Xugeng , Zhang Jinglai
Published: March 2019

The present results reveal that the dominant charge transfer characteristics in the S1 and T1 states produce a small energy difference between the two states, and consequently an efficient reverse intersystem crossing process and a high fluorescence efficiency.
Dual responsive specifically labelled carbogenic fluorescent nanodots for super resolution and electron microscopy
Authors: Verma Navneet. C. , Rao Chethana , Singh Ashutosh , Garg Neha , Nandi Chayan K.
Published: March 2019

We introduce an orange emissive fluorescent nanodot for successful single molecule stochastic optical reconstruction microscopy (STORM), super resolution radial fluctuation (SRRF) microscopy and transmission electron microscopy (TEM).
Ketoreductase catalyzed stereoselective bioreduction of α-nitro ketones
Authors: Wang Zexu , Wu Xiaofan , Li Zhining , Huang Zedu , Chen Fener
Published: March 2019

Stereocomplementary bioreduction of 33 α-nitro ketones catalyzed by ketoreductases (KREDs) with publicly known sequences furnished both enantiomers of β-nitro alcohols.
Acid–base controlled multiple conformation and aromaticity switches in tren-capped hexaphyrins
Authors: Le Gac Stéphane , Caytan Elsa , Dorcet Vincent , Boitrel Bernard
Published: March 2019

Upon protonation, a tren-capped hexaphyrin undergoes simple conformational exchanges between rectangular, Möbius and triangular shapes affording different aromaticities and cage environments, and ultimately leading to a host–guest complex.
Mitsunobu-initiated cascade cyclization ofp-quinamines and 2-furanylmethanols: highly regio- and diastereoselective synthesis of functionalized hydrobenzo[c,d]indoles
Authors: Cao Bo , Wei Yin , Shi Min
Published: March 2019

A Mitsunobu-initiated intermolecular cascade cyclization ofp-quinamines and 2-furanylmethanol has been developed, giving hydrobenzo[c,d]indole derivatives in moderate to good yields with high regio- and diastereoselectivities.
Elevated reaction order of 1,3,5-tri-tert-butylbenzene bromination as evidence of a clustered polybromide transition state: a combined kinetic and computational study
Authors: Shernyukov Andrey V. , Genaev Alexander M. , Salnikov George E. , Shubin Vyacheslav G. , Rzepa Henry S.
Published: March 2019

The kinetics and mechanism of concurrent bromo-de-protonation and bromo-de-tert-butylation of 1,3,5-tri-tert-butylbenzene at different bromine concentrations were studied experimentally and theoretically.
ROS-triggered degradation of selenide-containing polymers based on selenoxide elimination
Authors: Wang Lu , Zhu Kuixin , Cao Wei , Sun Chenxing , Lu Chenjie , Xu Huaping
Published: March 2019

A degradable ROS responsive selenide-containing block polymer would undergo an oxidation-related elimination and degradation process.
Low-cost ternary Ni–Fe–P catalysts supported on Ni foam for hydrolysis of ammonia borane
Authors: Yang Jingang , Yuan Qi , Liu Yuan , Huang Xianglong , Qiao Yanxiu , Lu Junnan , Song Chunlin
Published: March 2019

A Ni–Fe–P layer coating on Ni foam is composed of connected irregular patches and shows prominent cost-performance for hydrolysis of AB.
Highly selective hydrogenation of aldehydes promoted by a palladium-based catalyst and its application in equilibrium displacement in a one-enzyme procedure using ω-transaminase
Authors: Ren Huihui , Long Peng , Zhao Yang , Zhang Kuan , Fan Peihan , Wang Bo
Published: March 2019

A palladium-based catalyst-promoted highly selective hydrogenation of aldehydes and its application in efficient equilibrium displacement in a one-enzyme procedure using ω-transaminase.
Catalytic enantioselective cross-dehydrogenative coupling of 3,6-dihydro-2H-pyrans with aldehydes
Authors: Xin Xiaodong , Pan Xinhui , Meng Zhilin , Liu Xigong , Liu Lei
Published: March 2019

The first catalytic asymmetric cross-dehydrogenative coupling of 3,6-dihydro-2H-pyrans and aldehydes with excellent enantioselectivity is described.
Gold-catalyzed heterocyclic syntheses through α-imino gold carbene complexes as intermediates
Authors: Aguilar Enrique , Santamaría Javier
Published: March 2019

This review reports a comprehensive compilation of gold-catalyzed heterocyclic synthesis by using α-imino gold carbene complexes as the proposed intermediates.
The absolute configurations of hyperilongenols A–C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.
Authors: Zhang Na , Shi Zhengyi , Guo Yi , Xie Shuangshuang , Qiao Yuben , Li Xiao-Nian , Xue Yongbo , Luo Zengwei , Zhu Hucheng , Chen Chunmei , Hu Linzhen , Zhang Yonghui
Published: March 2019

Three PPAPs were isolated from H. longistylum Oliv.
Calixarene-based alkynyl-bridged gold(i) isocyanide and phosphine complexes as building motifs for the construction of chemosensors and supramolecular architectures
Authors: Hau Franky Ka-Wah , Cheung Kai-Leung , Zhu Nianyong , Yam Vivian Wing-Wah
Published: March 2019

A calixarene-based alkynyl-bridged Au(i) isocyanide complex with a triazolyl group as a receptor site has been synthesized and demonstrated to be a selective chemosensor for Zn2+based on Au(i)⋯Au(i) interactions.
3D dynamics of bacteria wall entrapment at a water–air interface
Authors: Bianchi Silvio , Saglimbeni Filippo , Frangipane Giacomo , Dell'Arciprete Dario , Di Leonardo Roberto
Published: March 2019

We determine the role of hydrodynamic interactions for a cell swimming close to an impenetrable boundary.
Discrete element modelling of tomato tissue deformation and failure at the cellular scale
Authors: Diels Elien , Wang Zi , Nicolai Bart , Ramon Herman , Smeets Bart
Published: March 2019

In this work, a 3D micro-mechanical plant tissue model that is able to model cell rupture and inter-cellular debonding and thus provide more insight in the micro-mechanics was developed.
One-step synthesis of superhydrophobic and multifunctional nano copper-modified bio-polyurethane for controlled-release fertilizers with “multilayer air shields”: new insight of improvement mechanism
Authors: Zhang Shugang , Gao Ni , Shen Tianlin , Yang Yuechao , Gao Bin , Li Yuncong C. , Wan Yongshan
Published: March 2019

Nano copper-modified bio-polyurethane for controlled-release fertilizer with “multilayer air shields”.
Carbon nanotubes in situ embedded with NiS nanocrystals outperform Pt in dye-sensitized solar cells: interface improved activity
Authors: Wang Xiuwen , Xie Ying , Jiao Yanqing , Pan Kai , Bateer Buhe , Wu Jun , Fu Honggang
Published: March 2019

An active-site-enriched NiS/CNT composite with a unique interface was synthesized and exhibited a surprising photoelectric conversion efficiency of 10.82%.
Delicate lattice modulation enables superior Na storage performance of Na3V2(PO4)3 as both an anode and cathode material for sodium-ion batteries: understanding the role of calcium substitution for vanadium
Authors: Zhao Lina , Zhao Hailei , Du Zhihong , Wang Jie , Long Xuanyou , Li Zhaolin , Świerczek Konrad
Published: March 2019

High-performance sodium storage in Na3V2(PO4)3 is realized by elaborate lattice modulation by Ca substitution for V.
Synergistic effects of temperature and polarization on Cr poisoning of La0.6Sr0.4Co0.2Fe0.8O3−δ solid oxide fuel cell cathodes
Authors: Ni Na , Wang Cheng Cheng , Jiang San Ping , Skinner Stephen J.
Published: March 2019

A new Cr incorporation mechanism involving preferential formation of nanometre size Fe–Co–Cr–O spinel particles was found to be responsible for a reduced Cr poisoning effect at 900 °C under cathodic polarization for the La0.6Sr0.4Co0.2Fe0.8O3−δ solid oxide fuel cell cathode.
Synergetic effects of strain engineering and substrate defects on generating highly efficient single-atom catalysts for CO oxidation
Authors: Zhao Ke , Zhu Yandi , Shi Jinlei , Zhao Xingju , Pang Rui , Xue Xinlian , Ren Xiaoyan , Duan Xiangmei , Guo Z. X. , Li Shunfang
Published: March 2019

Developing highly efficient single-atom catalysts (SACs) containing isolated metal atom monomers dispersed on appropriate substrates has surged to the forefront of heterogeneous catalysis in recent years.
Guanidinium induced phase separated perovskite layer for efficient and highly stable solar cells
Authors: Zhang Weihai , Xiong Juan , Li Jinhua , Daoud Walid A.
Published: March 2019

A large grain sized and pinhole free guanidinium doped quadruple cation based perovskite is demonstrated with superior optoelectronic properties. The resulting devices reach a PCE of 20.29% with negligible hysteresis and enhanced stability.
Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off
Authors: Chen Cheng , Lu Hai-Yan , Wang Yin-Feng , Li Meng , Shen Yi-Fan , Chen Chuan-Feng
Published: March 2019

1,8-Naphthyridine-based TADF molecules were utilized as a new kind of emitter for multi-color OLEDs with low efficiency roll-off.
Efficient ITO-free organic light-emitting devices with dual-functional PSS-rich PEDOT:PSS electrode by enhancing carrier balance
Authors: Liu Shihao , Yu Hongwei , Zhang Qingyang , Qin Feisong , Zhang Xiang , Zhang Letian , Xie Wenfa
Published: March 2019

A PSS-rich PEDOT:PSS transparent electrode is proposed to greatly enhance the carrier balance in OLEDs by its hole buffer effect.
Rational design of a junction structure to realize an NIR-selective narrowband organic thin-film photodiode
Authors: Kim Juhee , Yoon Seongwon , Sim Kyu Min , Chung Dae Sung
Published: March 2019

By systematically controlling the correlation between the optical penetration depth and junction depletion width, high-performance NIR-selective OPDs are demonstrated.
Gold nanorod etching-based multicolorimetric sensors: strategies and applications
Authors: Rao Honghong , Xue Xin , Wang Hongqiang , Xue Zhonghua
Published: March 2019

Gold nanorod (AuNR) colorimetric sensors have emerged as powerful tools in various chemosensing and biosensing applications due to their localized surface plasmon resonance (LSPR) extinction in the visible range.
Multi-wavelength de-blended Herschel view of the statistical properties of dusty star-forming galaxies across cosmic time
Authors: Wang L. , Pearson W. J. , Cowley W. , Trayford J. W. , Béthermin M. , Gruppioni C. , Hurley P. , Michałowski M. J.
Published: March 2019

Aims. We study the statistical properties of dusty star-forming galaxies across cosmic time, such as their number counts, luminosity functions (LF), and the dust-obscured star formation rate density (SFRD).

Methods. We used the most recent de-blended Herschel catalogue in the COSMOS field to measure the number counts and LFs at far-infrared (FIR) and sub-millimetre (sub-mm) wavelengths. The de-blended catalogue was generated by combining the Bayesian source extraction tool XID+ and an informative prior derived from the associated deep multi-wavelength photometric data.

Results. Through our de-confusion technique and based on the deep multi-wavelength photometric information, we are able to achieve more accurate measurements while at the same time probing roughly ten times below the Herschel confusion limit. Our number counts at 250 μm agree well with previous Herschel studies. However, our counts at 350 and 500 μm are below previous Herschel results because previous Herschel studies suffered from source confusion and blending issues. Our number counts at 450 and 870 μm show excellent agreement with previous determinations derived from single-dish and interferometric observations. Our measurements of the LF at 250 μm and the total IR LF agree well with previous results in the overlapping redshift and luminosity range. The increased dynamic range of our measurements allows us to better measure the faint-end of the LF and measure the dust-obscured SFRD out to z ∼ 6. We find that the fraction of obscured star formation activity is at its highest (>80%) around z ∼ 1. We do not find a shift of balance between z ∼ 3 and z ∼ 4 in the SFRD from being dominated by unobscured star formation at higher redshift to obscured star formation at lower redshift. However, we do find 3 <  z <  4 to be an interesting transition period as the portion of the total SFRD that is obscured by dust is significantly lower at higher redshifts.