bluuebunny/crossref_metadata_2025 huggingface dataset:
Prevalence of Fetal Alcohol Exposure by Analysis of Meconium Fatty Acid Ethyl Esters; A National Canadian Study
Authors: Delano Kaitlyn , Koren Gideon , Zack Martin , Kapur Bhushan M.
Published: February 2019

Our study aimed to estimate the prevalence of heavy fetal alcohol exposure through the analysis of meconium FAEEs as an objective biomarker of fetal exposure. We conducted a study on meconium samples collected nationwide through the Maternal-Infant Research on Environmental Chemicals (MIREC) Study Group. FAEE in meconium was quantified by an established headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (SPME GC-MS). Out of 1315 samples collected in 10 Canadian obstetric units coast to coast between 2008-2011, the estimated prevalence of positive meconium FAEE ranged between 1.16% and 2.40%, translating into at least 1800 new cases of FASD in Canada each year. Positive maternal self- reports of heavy alcohol use were tenfold lower (0.24%). Use of meconium FAEE revealed tenfold more cases of heavy exposure to maternal drinking than did maternal reports. The use of objective measures of maternal alcohol exposure is critical in accurately estimating risks and in monitoring effective prevention of FASD.
Low-cost Fabrication of Tunable Band Gap Composite Indium and Gallium Nitrides
Authors: McInnes Andrew , Sagu Jagdeep S. , Mehta Diana , Wijayantha K. G. U.
Published: February 2019

III-nitride materials have been linked with a vast number of exciting applications from power electronics to solar cells. Herein, polycrystalline InN, GaN and systematically controlled InxGa1−xN composite thin films are fabricated on FTO glass by a facile, low-cost and scalable aerosol assisted chemical vapor deposition technique. Variation of the indium content in the composite films leads to a dramatic shift in the optical absorbance properties, which correlates with the band edges shifting between those of GaN to InN. Moreover, the photoelectrochemical properties are shown to vary with indium content, with the 50% indium composite having an external quantum efficiency of around 8%. Whilst the overall photocurrent is found to be low, the photocurrent stability is shown to be excellent, with little degradation seen over 1 hour. These findings demonstrate a new and low-cost method for fabricating polycrystalline III-nitrides, which have a range of interesting properties that are highly sought after for many applications.
Peripheral CD39-expressing T regulatory cells are increased and associated with relapsing-remitting multiple sclerosis in relapsing patients
Authors: Álvarez-Sánchez Nuria , Cruz-Chamorro Ivan , Díaz-Sánchez María , Lardone Patricia Judith , Guerrero Juan Miguel , Carrillo-Vico Antonio
Published: February 2019

CD39, an ectonucleotidase that hydrolyses pro-inflammatory ATP, is a marker of highly active and suppressive T regulatory cells (Tregs). Although CD39 has a role in Treg suppression and might be important in the control of neuroinflammation in relapsing-remitting multiple sclerosis (RR-MS), to date, there are contradictory reports concerning the Tregs expression of CD39 in RR-MS patients. Thus, our objectives were to assess the activity and expression of CD39, especially in Tregs from peripheral blood mononuclear cells (PBMCs) of relapsing RR-MS patients compared with control subjects and to evaluate the association of CD39+ Tregs with disability and the odds of RR-MS. The activity and expression of CD39 and the CD39+ Treg frequency were measured in PBMCs from 55 relapsing RR-MS patients (19 untreated and 36 receiving immunomodulatory treatment) and 55 age- and sex-paired controls. Moreover, the association between CD39+ Tregs and RR-MS was assessed by multivariate logistic regression. CD39 activity and the frequency of CD39-expressing Tregs were elevated in relapsing RR-MS patients. Moreover, CD39+ Tregs were significantly correlated with the EDSS score and were independently associated with the odds of RR-MS. Our results highlight the relevance of CD39+ Treg subset in the clinical outcomes of RR-MS.
In vivo characterisation of fluorescent proteins in budding yeast
Authors: Botman Dennis , de Groot Daan Hugo , Schmidt Phillipp , Goedhart Joachim , Teusink Bas
Published: February 2019

Fluorescent proteins (FPs) are widely used in many organisms, but are commonly characterised in vitro. However, the in vitro properties may poorly reflect in vivo performance. Therefore, we characterised 27 FPs in vivo using Saccharomyces cerevisiae as model organism. We linked the FPs via a T2A peptide to a control FP, producing equimolar expression of the 2 FPs from 1 plasmid. Using this strategy, we characterised the FPs for brightness, photostability, photochromicity and pH-sensitivity, achieving a comprehensive in vivo characterisation. Many FPs showed different in vivo properties compared to existing in vitro data. Additionally, various FPs were photochromic, which affects readouts due to complex bleaching kinetics. Finally, we codon optimized the best performing FPs for optimal expression in yeast, and found that codon-optimization alters FP characteristics. These FPs improve experimental signal readout, opening new experimental possibilities. Our results may guide future studies in yeast that employ fluorescent proteins.
Diabetic endothelial colony forming cells have the potential for restoration with glycomimetics
Authors: Langford-Smith Alexander W. W. , Hasan Ahmad , Weston Ria , Edwards Nicola , Jones Alan M. , Boulton Andrew J. M. , Bowling Frank L. , Rashid S. Tawqeer , Wilkinson Fiona L. , Alexander M. Yvonne
Published: February 2019

Endothelial colony forming progenitor cell (ECFC) function is compromised in diabetes, leading to poor vascular endothelial repair, which contributes to impaired diabetic foot ulcer healing. We have generated novel glycomimetic drugs with protective effects against endothelial dysfunction. We investigated the effect of glycomimetic C3 on the functional capacity of diabetic ECFCs. ECFCs were isolated from healthy controls and patients with diabetes with neuroischaemic (NI) or neuropathic (NP) foot ulcers. Functionally, diabetic ECFCs demonstrated delayed colony formation (p < 0.02), differential proliferative capacity (p < 0.001) and reduced NO bioavailability (NI ECFCs; p < 0.05). Chemokinetic migration and angiogenesis were also reduced in diabetic ECFCs (p < 0.01 and p < 0.001), and defects in wound closure and tube formation were apparent in NP ECFCs (p < 0.01). Differential patterns in mitochondrial activity were pronounced, with raised activity in NI and depressed activity in NP cells (p < 0.05). The application of glycomimetic improved scratch wound closure in vitro in patient ECFCs (p < 0.01), most significantly in NI cells (p < 0.001), where tube formation (p < 0.05) was also improved. We demonstrate restoration of the deficits in NI cells but not NP cells, using a novel glycomimetic agent, which may be advantageous for therapeutic cell transplantation or as a localised treatment for NI but not NP patients.
Genomic Features, Comparative Genomics, and Antimicrobial Susceptibility Patterns of Elizabethkingia bruuniana
Authors: Lin Jiun-Nong , Lai Chung-Hsu , Yang Chih-Hui , Huang Yi-Han , Lin Hsi-Hsun
Published: February 2019

Elizabethkingia bruuniana is a novel species of the Elizabethkingia genus. There is scant information on this microorganism. Here, we report the whole-genome features and antimicrobial susceptibility patterns of E. bruuniana strain EM798-26. Elizabethkingia strain EM798-26 was initially identified as E. miricola. This isolate contained a circular genome of 4,393,011 bp. The whole-genome sequence-based phylogeny revealed that Elizabethkingia strain EM798-26 was in the same group of the type strain E. bruuniana G0146T. Both in silico DNA-DNA hybridization and average nucleotide identity analysis clearly demonstrated that Elizabethkingia strain EM798-26 was a species of E. bruuniana. The pan-genome analysis identified 2,875 gene families in the core genome and 5,199 gene families in the pan genome of eight publicly available E. bruuniana genome sequences. The unique genes accounted for 0.2–12.1% of the pan genome in each E. bruuniana. A total of 59 potential virulence factor homologs were predicted in the whole-genome of E. bruuniana strain EM798–26. This isolate was nonsusceptible to multiple antibiotics, but susceptible to aminoglycosides, minocycline, and levofloxacin. The whole-genome sequence analysis of E. bruuniana EM798-26 revealed 29 homologs of antibiotic resistance-related genes. This study presents the genomic features of E. bruuniana. Knowledge of the genomic characteristics provides valuable insights into a novel species.
Novel model of secreted human tau protein reveals the impact of the abnormal N-glycosylation of tau on its aggregation propensity
Authors: Losev Yelena , Paul Ashim , Frenkel-Pinter Moran , Abu-Hussein Malak , Khalaila Isam , Gazit Ehud , Segal Daniel
Published: February 2019

Alzheimer’s disease (AD) is the most common neurodegenerative disorder and has no disease-modifying treatment yet. The hallmarks of AD are two amyloidogenic proteins: tau and amyloid β (Aβ). Tau undergoes several posttranslational modifications, including N-glycosylation. Tau was reported to be N-glycosylated in AD brains, but not in healthy counterparts, which may affect AD etiology. Here, we aimed to examine the effect of N-glycosylation on aggregation propensity of tau. To that end, a novel SH-SY5Y cell-based model was generated in which recombinant human tau (htau) is forced to be secreted from the cells. Secreted htau was found to localize in the secretory pathway compartments and to undergo N-glycosylation. Following N-glycan cleavage of the secreted htau, various biophysical results collectively indicated that the untreated N-glycosylated secreted htau is markedly less aggregative, contains thinner and shorter fibrils, as compared to treated de-glycosylated secreted htau. This finding shows that N-glycans attached to htau may affect its aggregation. This could help to better understand the effect of N-glycosylated htau on AD progression.
Recycling endosomal CD133 functions as an inhibitor of autophagy at the pericentrosomal region
Authors: Izumi Hideki , Li Yuanyuan , Shibaki Masami , Mori Daisuke , Yasunami Michio , Sato Seiji , Matsunaga Hisashi , Mae Takao , Kodama Kenji , Kamijo Takehiko , Kaneko Yasuhiko , Nakagawara Akira
Published: February 2019

CD133 is a transmembranous protein that mainly localises to the plasma membrane in haematopoietic and neural stem cells as well as cancer stem cells. Although CD133 also localises to the cytoplasm, the mechanism of action and function of cytoplasmic CD133 currently remain unknown. We herein demonstrated that when Src family kinase activity is weak, CD133 interacts with HDAC6 and is transported to the pericentrosomal region after internalization and endosome formation via the dynein-based traffic system. Pericentrosomal CD133 is then recycled to the plasma membrane via recycling endosomes. At the pericentrosomal region, endosomal CD133 captures GABARAP, an initiator of autophagy, and inhibits GABARAP-mediated ULK1 activation and the subsequent initiation of autophagy. Furthermore, pericentrosomal CD133 suppresses cell differentiation, such as primary cilium formation and neurite outgrowth, by inhibiting autophagy. Thus, the present results provide evidence to suggest that pericentrosomal CD133 has the unique property of maintaining the undifferentiated status of cells by inhibiting autophagy.
Analysis of postmarketing safety data for proton-pump inhibitors reveals increased propensity for renal injury, electrolyte abnormalities, and nephrolithiasis
Authors: Makunts Tigran , Cohen Isaac V. , Awdishu Linda , Abagyan Ruben
Published: February 2019

Proton pump inhibitors, PPIs, are widely prescribed and sold globally. Although initially intended for time-limited treatment of acute disorders, such as gastric ulcers and esophagitis, PPIs are now commonly used for prolonged durations and are considered safe for over the counter access. Recent studies have raised concern over associations between PPI use and acute kidney injury, chronic kidney disease, end-stage renal disease, and electrolyte abnormalities. The growing concern over potentially serious adverse drug reactions warrants an evaluation of post marketing surveillance data. In this study of over ten million FDA Adverse Event Reporting System records, we provided evidence of kidney injury and electrolyte imbalances in an alarming number of patients taking PPIs. Additionally, we assessed differences between specific PPIs and observed significant electrolyte and renal abnormalities for each individual drug with varying magnitudes.
Virtual cleaning and unwrapping of non-invasively digitized soiled bamboo scrolls
Authors: Stromer Daniel , Christlein Vincent , Huang Xiaolin , Zippert Patrick , Hausotte Tino , Maier Andreas
Published: February 2019

In ancient China, symbols and drawings captured on bamboo and wooden slips were used as main communication media. Those documents are very precious for cultural heritage and research, but due to aging processes, the discovered pieces are sometimes in a poor condition and contaminated by soil. Manual cleaning of excavated slips is a demanding and time-consuming task in which writings can be accidentally deleted. To counter this, we propose a novel approach based on conventional 3-D X-ray computed tomography to digitize such historical documents without before manual cleaning. By applying a virtual cleaning and unwrapping algorithm, the entire scroll surface is remapped into 2-D such that the hidden content becomes readable. We show that the technique also works for heavily soiled scrolls, enabling an investigation of the content by the naked eye without the need for manual labor. This digitization also allows for recovery of potentially erased writings and reconstruction of the original spatial information.
A dynamic view of the proteomic landscape during differentiation of ReNcell VM cells, an immortalized human neural progenitor line
Authors: Song Yuyu , Subramanian Kartik , Berberich Matthew J. , Rodriguez Steven , Latorre Isabel J. , Luria Catherine M. , Everley Robert , Albers Mark W. , Mitchison Timothy J. , Sorger Peter K.
Published: February 2019

The immortalized human ReNcell VM cell line represents a reproducible and easy-to-propagate cell culture system for studying the differentiation of neural progenitors. To better characterize the starting line and its subsequent differentiation, we assessed protein and phospho-protein levels and cell morphology over a 15-day period during which ReNcell progenitors differentiated into neurons, astrocytes and oligodendrocytes. Five of the resulting datasets measured protein levels or states of phosphorylation based on tandem-mass-tag (TMT) mass spectrometry and four datasets characterized cellular phenotypes using high-content microscopy. Proteomic analysis revealed reproducible changes in pathways responsible for cytoskeletal rearrangement, cell phase transitions, neuronal migration, glial differentiation, neurotrophic signalling and extracellular matrix regulation. Proteomic and imaging data revealed accelerated differentiation in cells treated with the poly-selective CDK and GSK3 inhibitor kenpaullone or the HMG-CoA reductase inhibitor mevastatin, both of which have previously been reported to promote neural differentiation. These data provide in-depth information on the ReNcell progenitor state and on neural differentiation in the presence and absence of drugs, setting the stage for functional studies.
Sex-specific median life expectancies from ex situ populations for 330 animal species
Authors: Che-Castaldo Judy P. , Byrne Amy , Perišin Kaitlyn , Faust Lisa J.
Published: February 2019

We present life expectancy estimates for hundreds of vertebrate species based on carefully vetted studbook data from North American zoos and aquariums. These data include sex-specific median life expectancies as well as sample size and 95% confidence limits for each estimate. Existing longevity data for animals primarily consist of maximum lifespan values, which are single observations rather than statistically derived estimates of longevity. Moreover, all of our estimates are based on the same type of data and calculated using consistent, standardized methods. To derive these estimates, we conducted Kaplan-Meier survival analyses using individual-level demographic data (i.e., records of birth and mortality events) from studbook records for each ex situ population. Our species set represents a range of vertebrate taxa (primarily mammals, birds, amphibians, and reptiles) and diverse life histories. This dataset will have broad utility, not only for informing comparative demographic and life history studies, but also more broadly for any research or conservation application that requires sex- or species-specific life expectancy information.
The variable quality of metadata about biological samples used in biomedical experiments
Authors: Gonçalves Rafael S. , Musen Mark A.
Published: February 2019

We present an analytical study of the quality of metadata about samples used in biomedical experiments. The metadata under analysis are stored in two well-known databases: BioSample—a repository managed by the National Center for Biotechnology Information (NCBI), and BioSamples—a repository managed by the European Bioinformatics Institute (EBI). We tested whether 11.4 M sample metadata records in the two repositories are populated with values that fulfill the stated requirements for such values. Our study revealed multiple anomalies in the metadata. Most metadata field names and their values are not standardized or controlled. Even simple binary or numeric fields are often populated with inadequate values of different data types. By clustering metadata field names, we discovered there are often many distinct ways to represent the same aspect of a sample. Overall, the metadata we analyzed reveal that there is a lack of principled mechanisms to enforce and validate metadata requirements. The significant aberrancies that we found in the metadata are likely to impede search and secondary use of the associated datasets.
Long noncoding RNA and mRNA expression profiles following igf3 knockdown in common carp, Cyprinus carpio
Authors: Song Feibiao , Wang Lanmei , Zhu Wenbin , Dong Zaijie
Published: February 2019

As a novel IGF system member, igf3 plays an important role in gonadal development of teleost fish. Although studies have reported the unusual expression of igf3 in fish gonad, whether the igf3 affects the expression of long noncoding RNAs (lncRNAs) in gonad remains unknown. In this study, an igf3 knockdown common carp (Cyprinus carpio) model was established by RNA interference. Then RNA sequencing of C. carpio gonad after igf3 knockdown was performed. A total of 327,169,410 and 306,305,018 clean reads were identified from control and igf3-dsRNA interference group, respectively. After a stringent filtering, RNA-seq yielded 14199 lncRNA and 106932 mRNA transcripts with 124 and 353 differentially expressed lncRNAs and mRNAs. Our dataset provides an extensive resource for understanding the potential regulatory molecular mechanism of igf3 in early stage of gonadal development in C. carpio.
Integration of a 3D-printed read-out platform with a quantum dot-based immunoassay for detection of the avian influenza A (H7N9) virus
Authors: Xiao Meng , Huang Liping , Dong Xiaohui , Xie Kaixin , Shen Haicong , Huang Caihong , Xiao Wei , Jin Meilin , Tang Yong
Published: February 2019

Outbreaks and potential epidemics of the highly pathogenic avian influenza virus pose serious threats to human health and the global economy.
Polymer modified carbon fiber-microelectrodes and waveform modifications enhance neurotransmitter metabolite detection
Authors: Raju Dilpreet , Mendoza Alexander , Wonnenberg Pauline , Mohanaraj Sanuja , Sarbanes Mulugeta , Truong Carly , Zestos Alexander G.
Published: February 2019

Carbon-fiber microelectrodes (CFMEs) have been used for several years for the detection of neurotransmitters such as dopamine.
Biomaterial interactions with the immune system
Authors: Jewell Christopher M. , Collier Joel H.
Published: February 2019

Guest editors Chris Jewell and Joel Collier introduce this Biomaterials Science themed issue on biomaterial interactions with the immune system.
Conversion of dinitrogen to tris(trimethylsilyl)amine catalyzed by titanium triamido-amine complexes
Authors: Ghana Priyabrata , van Krüchten Franziska D. , Spaniol Thomas P. , van Leusen Jan , Kögerler Paul , Okuda Jun
Published: February 2019

Catalytic fixation of molecular dinitrogen into tris(trimethylsilyl)amine with TON up to 16.5 per titanium atom under ambient conditions was achieved using a well-defined titanium complex with a triamidoamine ligand.
Anion induced supramolecular polymerization: a novel approach for the ultrasensitive detection and separation of F−
Authors: Lin Qi , Gong Guan-Fei , Fan Yan-Qing , Chen Yan-Yan , Wang Jiao , Guan Xiao-Wen , Liu Juan , Zhang You-Ming , Yao Hong , Wei Tai-Bao
Published: February 2019

A novel approach for the ultrasensitive detection and separation of F− has been developed. F− could induce a tripodal naphthalimide sensor (TNA) to carry out reversible supramolecular polymerization and lead to strong AIEE.
A reversible decomposition approach for the formation of injectable, excipient-free, self-assembling nanocrystals
Authors: Yang Qin , Tan Tiantian , Zhao Juan , Zhou Chuchu , Guo Chenqi , Wan Zhuoya , Song Xu , Gong Tao
Published: February 2019

A chemical procedure to generate excipient-free SN38 nanocrystals with greater efficacy and less toxicity than CPT-11.
Charged polymeric additives affect the nucleation of lysozyme crystals
Authors: Li Xuechao , Liu Han , Tong Xinmeng , Dai Sirui , Zhang Jinli , Li Wei
Published: February 2019

Charged polymers (PGA and PL) interact with lysozyme and then promote the heterogeneous nucleation of the crystals.
Perspectives of multiscale rare earth crystal materials
Authors: Sun Congting , Xue Dongfeng
Published: February 2019

Both multisize and multiweight effects are proposed to characterize multiscale rare earth crystal materials.
Building intermixed donor–acceptor architectures for water-processable organic photovoltaics
Authors: Marks Melissa , Holmes Natalie P. , Sharma Anirudh , Pan Xun , Chowdhury Riku , Barr Matthew G. , Fenn Coralie , Griffith Matthew J. , Feron Krishna , Kilcoyne A. L. David , Lewis David A. , Andersson Mats R. , Belcher Warwick J. , Dastoor Paul C.
Published: February 2019

Building intermixed donor–acceptor nanoparticle morphologies by utilising rapid miniemulsion dispersed phase solvent removal to disrupt self-assembly.
The impact of chemical order on defect transport in mixed pyrochlores
Authors: Uberuaga Blas P. , Perriot Romain , Pilania Ghanshyam
Published: February 2019

Using temperature accelerated dynamics, an accelerated molecular dynamics method, we examine the relationship between composition and cation ordering and defect transport in the mixed pyrochlore Gd2(Ti1−xZrx)2O7, using the oxygen vacancy as a representative defect structure.
On the large apparent Stokes shift of phthalimides
Authors: Reiffers Anna , Torres Ziegenbein Christian , Schubert Luiz , Diekmann Janina , Thom Kristoffer A. , Kühnemuth Ralf , Griesbeck Axel , Weingart Oliver , Gilch Peter
Published: February 2019

The photophysics of N-methylphthalimide (MP) in solution (cyclohexane, ethanol, acetonitrile, and water) was characterized by steady state as well as time resolved fluorescence and absorption spectroscopy.
Transient, in situ synthesis of ultrafine ruthenium nanoparticles for a high-rate Li–CO2 battery
Authors: Qiao Yun , Xu Shaomao , Liu Yang , Dai Jiaqi , Xie Hua , Yao Yonggang , Mu Xiaowei , Chen Chaoji , Kline Dylan J. , Hitz Emily M. , Liu Boyang , Song Jianwei , He Ping , Zachariah Michael R. , Hu Liangbing
Published: February 2019

Ultrafine Ru nanoparticles anchored on freestanding activated carbon nanofibers with porous structure are synthesized as a high performing cathode for Li–CO2 batteries via a transient, in situ thermal shock method.
A top-down strategy identifying molecular phase stabilizers to overcome microstructure instabilities in organic solar cells
Authors: Zhang Chaohong , Heumueller Thomas , Leon Salvador , Gruber Wolfgang , Burlafinger Klaus , Tang Xiaofeng , Perea Jose D. , Wabra Isabell , Hirsch Andreas , Unruh Tobias , Li Ning , Brabec Christoph J.
Published: February 2019

Phase stabilizers identified from a top-down strategy overcome microstructure instability of organic solar cells induced by thermal or photo stress.
Mesoporous TiO2–BiOBr microspheres with tailorable adsorption capacities for photodegradation of organic water pollutants: probing adsorption–photocatalysis synergy by combining experiments and kinetic modeling
Authors: Deng Wei , Pan Fuping , Batchelor Bill , Jung Bahngmi , Zhang Peng , Abdel-Wahab Ahmed , Zhou Hongcai , Li Ying
Published: February 2019

Understanding adsorption–photocatalysis synergy advances solar-driven photodegradation of organic water pollutants.
Impact of enzymatic hydrolysis followed by transglutaminase-induced cross-linking on decreasing antigenicity and reserving partial interfacial properties of whey protein isolate
Authors: Yu Xin-Xin , Liu Chang , Lu Man-Hui , Liu Yan-Le , Yin Jia-Yi , Zhang Ying-Hua
Published: February 2019

Whey protein isolate (WPI) was hydrolyzed by alcalase and trypsin for three hydrolysis degrees (DHs), followed by transglutaminase (TGase) induced cross-linking.
Measurement of compound-specific Hg isotopic composition in narrow transient signals by gas chromatography coupled to multicollector ICP-MS
Authors: Queipo-Abad Silvia , Rodríguez-González Pablo , García Alonso José Ignacio
Published: February 2019

Hg species-specific delta values are obtained from isotope ratios measured in short transient signals by GC-MC-ICP-MS.
Incorporation of an intramolecular hydrogen bonding motif in the side chain of antimalarial benzimidazoles
Authors: Attram Henrietta D. , Wittlin Sergio , Chibale Kelly
Published: February 2019

Analogues of a novel class of benzimidazoles with an intramolecular hydrogen bonding motif have been synthesized and evaluated in vitro for their antiplasmodium activity against chloroquine-sensitive (NF54) and multi-drug resistant (K1) strains of the human malaria parasite Plasmodium falciparum.
Site-specific Ag coating on concave Au nanoarrows by controlling the surfactant concentration
Authors: Dong Dashen , Shi Qianqian , Sikdar Debabrata , Zhao Yunmeng , Liu Yiyi , Fu Runfang , Premaratne Malin , Cheng Wenlong
Published: February 2019

Three distinct site-specific Ag-coated Au nanoarrows are achieved by simply controlling the CTAC concentration of growth solution and analyzed with electron microscopy as well as elemental mapping. The CTAC concentration-dependent, facet-specific passivation represents a new strategy to design particle morphology as well as composition.
Pd-Catalyzed decarboxylative alkynylation of alkynyl carboxylic acids with arylsulfonyl hydrazidesviaa desulfinative process
Authors: Chang Sheng , Liu Ying , Yin Shu Zhu , Dong Lin Lin , Wang Jian Feng
Published: February 2019

The decarboxylative alkynylation of alkynyl carboxylic acids and arylsulfonyl hydrazides by desulfinative coupling could provide aryl alkynes in satisfactory yields by either judiciously selecting palladium catalysts or modulating phosphine ligands under mild conditions.
Fabrication of cobalt gallium oxide with zinc iron oxide on nickel foam for a high-performance asymmetric supercapacitor
Authors: Mohammadi Zardkhoshoui Akbar , Hosseiny Davarani Saied Saeed , Hashemi Masumeh
Published: February 2019

A straightforward method is proposed for the synthesis of CoGa2O4 on nickel foam with excellent durability for practical applications in asymmetric supercapacitors.
Triazolated calix[4]arenes from 2-azidoethylated precursors: is there a difference in the way the triazoles are attached to narrow rims?
Authors: Gorbunov Alexander , Kuznetsova Julia , Puchnin Kirill , Kovalev Vladimir , Vatsouro Ivan
Published: February 2019

A large series of narrow-rim 4-R-1-triazolated calix[4]arenes was prepared, and these compounds were compared in terms of their cation-binding ability with the ‘inverted’ 1-R-4-triazolated calix[4]arenes.
A sensitive plasmonic probe based on in situ growth of a Ag shell on a Au@N-CD nanocomposite for detection of isoniazid in environmental and biological samples
Authors: Hallaj Tooba , Amjadi Mohammad
Published: February 2019

In this study, a new plasmonic probe based on the wavelength shift of the surface plasmon resonance band of a Au@N-CD nanocomposite was introduced for the determination of isoniazid.
Universal 1/f type current noise of Ag filaments in redox-based memristive nanojunctions
Authors: Sánta Botond , Balogh Zoltán , Gubicza Agnes , Pósa László , Krisztián Dávid , Mihály György , Csontos Miklós , Halbritter András
Published: February 2019

We demonstrate the universal 1/f type current noise in Ag based, nanofilamentary resistive switches which arises from internal resistance fluctuations.
Silvered conical-bottom 96-well plates: enhanced low volume detection and the metal-enhanced fluorescence volume/ratio effect
Authors: Knoblauch Rachael , Geddes Chris D.
Published: February 2019

Silver conical-bottom 96-well plate platforms permit detection of fluorophores with microliter volumes, and the calculation of corrected metal-enhanced fluorescence values.
Direct fabrication of bi-metallic PdRu nanorod assemblies for electrochemical ammonia synthesis
Authors: Wang Hongjing , Li Yinghao , Yang Dandan , Qian Xiaoqian , Wang Ziqiang , Xu You , Li Xiaonian , Xue Hairong , Wang Liang
Published: February 2019

A very simple one-step synthetic method is developed for the fabrication of bi-metallic PdRu nanorod assemblies for electrochemical reduction of nitrogen to ammonia.
Constructing a direct Z-scheme photocatalytic system based on 2D/2D WO3/ZnIn2S4 nanocomposite for efficient hydrogen evolution under visible light
Authors: Tan Pengfei , Zhu Anquan , Qiao Lulu , Zeng Weixuan , Ma Yongjin , Dong Haigang , Xie Jianping , Pan Jun
Published: February 2019

A photocatalytic Z-scheme system based on 2D/2D WO3/ZnIn2S4 nanocomposite was prepared to generate sustainable hydrogen.
Surface-clean, phase-pure multi-metallic carbides for efficient electrocatalytic hydrogen evolution reaction
Authors: Gao Shuang , Chen Hui , Liu Yipu , Li Guo-Dong , Gao Ruiqin , Zou Xiaoxin
Published: February 2019

The development of highly active, stable and low-cost non-noble metal catalysts for hydrogen evolution reaction (HER) is extremely imperative.
Effect of nitrogen-doping configuration in graphene on the oxygen reduction reaction
Authors: Tai Shih-Hsuan , Chang Bor Kae
Published: February 2019

The oxygen reduction reaction (ORR) reactivity of various nitrogen-doped graphene configurations are probed in detail using density functional theory (DFT) calculations.
The effect of a trimetallic nanocomposite in the solar absorber layer of organic solar cells
Authors: Mbuyise Xolani G. , Arbab Elhadi A. A. , Mola Genene Tessema
Published: February 2019

Bulk heterojunction (BHJ) organic solar cells were fabricated using a trimetallic nanocomposite (Ag : Zn : Ni) in the photoactive layer.
New rhodamine B-based chromo-fluorogenic probes for highly selective detection of aluminium(iii) ions and their application in living cell imaging
Authors: Leng Xin , Xu Wenfeng , Qiao Chengfang , Jia Xu , Long Ying , Yang Bingqin
Published: February 2019

Two rhodamine B-based fluorescent probes exhibited remarkable absorbance-on and fluorescence-on responses to Al3+, which can be used for biological imaging.
A novel nanofiltration membrane with simultaneously enhanced antifouling and antibacterial properties
Authors: Qi Yawei , Zhu Lifang , Gao Congjie , Shen Jiangnan
Published: February 2019

A novel nanofiltration membrane is prepared by using polydopamine (PDA) and hydroxyl propyl trimethyl ammonium chloride chitosan (HACC) mixed with chitosan (CN) and chelated silver (Ag) nanoparticles.
Smartphone-based kanamycin sensing with ratiometric FRET
Authors: Umrao Saurabh , S Anusha , Jain Vasundhara , Chakraborty Banani , Roy Rahul
Published: February 2019

FRET aptamer based kanamycin detection enables reusable and smartphone sensing.
Functionalized spirolactones by photoinduced dearomatization of biaryl compounds
Authors: Li Hongji , Subbotina Elena , Bunrit Anon , Wang Feng , Samec Joseph S. M.
Published: February 2019

Visible-light-induced dearomatization of non-phenolic 1,1′-biaryl-2-carboxylic acids has been developed by either aerobic photocatalytic or anaerobic photooxidative pathways.
Contrasting bending energies from bulk elastic theories
Authors: Wood H. G. , Hanna J. A.
Published: February 2019

We demonstrate that four bulk isotropic quadratic elastic theories have fundamentally different predictions with regard to bending behavior.
Engineering new defective phases of UiO family metal–organic frameworks with water
Authors: Firth Francesca C. N. , Cliffe Matthew J. , Vulpe Diana , Aragones-Anglada Marta , Moghadam Peyman Z. , Fairen-Jimenez David , Slater Ben , Grey Clare P.
Published: February 2019

Tuning the water concentration in the synthesis of three UiO MOFs allows crystal phase selection via ordering of defects.
Enhanced electrochemiluminescence of gold nanoclusters via silver doping and their application for ultrasensitive detection of dopamine
Authors: Tang Yao , Xu Juntao , Xiong Chengyi , Xiao Yan , Zhang Xiuhua , Wang Shengfu
Published: February 2019

A novel electrochemiluminescence (ECL) sensor based on enhanced ECL of gold nanoclusters is designed for the ultrasensitive detection of dopamine.
Fabrication of a bismuth nanoparticle/Nafion modified screen-printed graphene electrode for in situ environmental monitoring
Authors: Palisoc Shirley , Sow Vince Aaron , Natividad Michelle
Published: February 2019

Bismuth nanoparticle (BiNP)/Nafion modified screen-printed electrodes were fabricated through screen printing and drop coating.
Mn2CoReO6: a robust multisublattice antiferromagnetic perovskite with small A-site cations
Authors: Frank Corey E. , McCabe Emma E. , Orlandi Fabio , Manuel Pascal , Tan Xiaoyan , Deng Zheng , Croft Mark , Cascos Vanessa , Emge Thomas , Feng Hai L. , Lapidus Saul , Jin Changqing , Wu MeiXia , Li Man Rong , Ehrlich Steven , Khalid Syed , Quackenbush Nicholas , Yu Shuang , Walker David , Greenblatt Martha
Published: February 2019

Small A-site cations (Mn2+) induce complex magnetic structures in this transition-metal-only double perovskite.
Sulfur dots–graphene nanohybrid: a metal-free electrocatalyst for efficient N2-to-NH3 fixation under ambient conditions
Authors: Chen Hongyu , Zhu Xiaojuan , Huang Hong , Wang Huanbo , Wang Ting , Zhao Runbo , Zheng Hongguo , Asiri Abdullah M. , Luo Yonglan , Sun Xuping
Published: February 2019

Sulfur dots–graphene nanohybrids act as an efficient electrocatalyst for the conversion of N2 to NH3 in 0.5 M LiClO4, achieving a high NH3 yield of 28.56 μg h−1 mgcat.−1 and a Faradaic efficiency of 7.07% at −0.85 V vs. RHE.
Uniform and directional growth of centimeter-sized single crystals of cyclodextrin-based metal organic frameworks
Authors: Kim Namhun , Park Jun Heuk , Paczesny Jan , Grzybowski Bartosz A.
Published: February 2019

Although macroscopically-sized MOF crystals have proven of interest for efficient chromatographic separations, information processing, or optoelectronic devices, growing really large crystals has proven problematic. A growth-and-reseeding method can now produce MOF monocrystals ca. 1 cm3 in volume vs. at most ca. 0.025 cm3 by prior methods.
Interface Schottky barrier in Hf2NT2/MSSe (T = F, O, OH; M = Mo, W) heterostructures
Authors: Jing Tao , Liang Dongmei , Hao Jinxin , Deng Mingsen , Cai Shaohong
Published: February 2019

The choice of different surface atomic layers of MoSSe or WSSe in contact with Hf2NT2 can lead to significantly different SBHs.
Ultrafast charge carrier dynamics in CdSe/V2O5 core/shell quantum dots
Authors: Yadav Amar Nath , Singh Ashwani Kumar , Srivastava Shubhda , Kumar Mahesh , Gupta Bipin Kumar , Singh Kedar
Published: February 2019

Ultrafast transient absorption (TA) spectroscopy has been carried out to study the charge carrier dynamics of CdSe core and CdSe/V2O5 core/shell quantum dots (QDs).
Reliability of HF/IQA, B3LYP/IQA, and MP2/IQA data in interpreting the nature and strength of interactions
Authors: Cukrowski Ignacy
Published: February 2019

Using CCSD/BBC1/IQA as a reference to describe interactions in glycol conformers, including O4⋯H6 and O3⋯O4 interactions, B3LYP/IQA data produced an exact qualitative picture and exceptionally reliable IQA energy changes, resulting in a perfectly comparable FAMSEC-based quantitative interpretation.
Tertiary treatment of secondary effluent using ultrafiltration for wastewater reuse: correlating membrane fouling with rejection of effluent organic matter and hydrophobic pharmaceuticals
Authors: Qu Fangshu , Wang Hao , He Junguo , Fan Gongduan , Pan Zhihui , Tian Jiayu , Rong Hongwei , Li Guibai , Yu Huarong
Published: February 2019

Permeability loss and the low retention efficiency of soluble organics significantly restrict the application of ultrafiltration (UF) for water reclamation.
Evaluation of different quantification modes for a simple and reliable determination of Pb, Zn and Cd in soil suspensions by total reflection X-ray fluorescence spectrometry
Authors: Bilo Fabjola , Borgese Laura , Pardini Giovanni , Marguí Eva , Zacco Annalisa , Dalipi Rogerta , Federici Stefania , Bettinelli Maurizio , Volante Marco , Bontempi Elza , Depero Laura E.
Published: February 2019

The novelty resides in a comparison of various analytical parameters for direct analysis of Pb, Zn and Cd in soils.
A “turn-on” fluorescent probe for highly selective discrimination of hypochlorite (ClO−) from oxidants including dichromates (Cr2O72−) in aqueous media
Authors: Shahid Mushtaq Ahmed , Shi Genggongwo , Yousuf Muhammad , Madridejos Jenica Marie L. , Mahmood Farzana , Rasheed Lubna
Published: February 2019

A carbazole-based probe was synthesized and found to fluoresce (λem,max = 440 nm) in the presence of hypochlorite.
Strong texture in nanograin bulk Nd–Fe–B magnetsviaslow plastic deformation at low temperatures
Authors: Wang Fengqing , Shen Weichuang , Fan Jinkui , Du Juan , Chen Kanghua , Liu J. Ping
Published: February 2019

Highly oriented nanograins were achieved in bulk Nd–Fe–B magnets, rendering a new texturing mechanism and record-high performance of nanograin bulk magnets.
A coordination-based model for transition metal alloy nanoparticles
Authors: Roling Luke T. , Choksi Tej S. , Abild-Pedersen Frank
Published: February 2019

A simple coordination-based scheme based on DFT energetics enables prediction of relative energies of bimetallic nanoparticles.
Adsorbate enrichment on a zeolite surface and assembly of a SERS sensor: a case study with silver nanoparticles and the flavonoid catechin
Authors: Huang Chia-Chi , Cheng Chi-Yun , Chou Chao-Ting , Chen Wenlung
Published: February 2019

Adsorbate enrichment on zeolite surface and assembly of a SERS sensor.
Correction: Praeruptorin B improves diet-induced hyperlipidemia and alleviates insulin resistance via regulating SREBP signaling pathway
Authors: Zheng Zu-Guo , Lu Chong , Thu Pyone Myat , Zhang Xin , Li Hui-Jun , Li Ping , Xu Xiaojun
Published: February 2019

Correction for ‘Praeruptorin B improves diet-induced hyperlipidemia and alleviates insulin resistance via regulating SREBP signaling pathway’ by Zu-Guo Zheng et al., RSC Adv., 2018, 8, 354–366.
Making better decisions during synthetic route design: leveraging prediction to achieve greenness-by-design
Authors: Li Jun , Eastgate Martin D.
Published: February 2019

A conceptual framework for incorporating machine learned ligand prediction into predictive route comparisons, to enable greener chemistry outcomes.
High-performance polyamide membrane with tailored water channel prepared via bionic neural networks for textile wastewater treatment
Authors: Liu Chao , Wang Chao , Guo Yongqiang , Zhang Jiaming , Cao Yingying , Liu Hongpeng , Hu Zhen , Zhang Chunhua
Published: February 2019

A novel aromatic polyamide (PA) reverse osmosis membrane with nanoscale water channels and hydrophilic molecular skin surface, similar to those of biomimetic neural networks, was realized for textile wastewater treatment via the facile strategy of interfacial polymerization with the addition of free radicals.
Hybrid chemical vapor deposition enables scalable and stable Cs-FA mixed cation perovskite solar modules with a designated area of 91.8 cm2 approaching 10% efficiency
Authors: Qiu Longbin , He Sisi , Jiang Yan , Son Dae-Yong , Ono Luis K. , Liu Zonghao , Kim Taehoon , Bouloumis Theodoros , Kazaoui Said , Qi Yabing
Published: February 2019

Large area and stable mixed-cation perovskite solar modules are fabricated via hybrid-CVD, which represents a step forward towards commercialization.
Dynamic hydrolase labelling as a marker for seed quality in Arabidopsis seeds
Authors: Viñegra de la Torre Natanael , Kaschani Farnusch , Kaiser Markus , van der Hoorn Renier A. L. , Soppe Wim J. J. , Misas Villamil Johana C.
Published: February 2019

Seed quality is affected by different constituents of the seed. In general, seed lots are considered to be of high quality when they exhibit fast and homogeneous germination. When seeds are stored, they undergo different degrees of damage that have detrimental effects on their quality. Therefore, accurate prediction of the seed quality and viability levels of a seed lot is of high importance in the seed-producing industry. Here, we describe the use of activity-based protein profiling of proteases to evaluate the quality of artificially and naturally aged seeds of Arabidopsis thaliana. Using this approach, we have identified two protease activities with opposite behaviours in aged seeds of Arabidopsis that correlate with the quality status of the seeds. We show that vacuolar processing enzymes (VPEs) become more active during the ageing process, in both artificial and natural ageing treatments. Secondly, we demonstrate that serine hydrolases are active at the beginning of our artificial ageing treatment, but their labelling decreases along with seed viability. We present a list of candidate hydrolases active during seed germination and propose that these protease activities can be used in combination with VPEs to develop novel markers of seed quality.
Cysteine-rich granulin-3 rapidly promotes amyloid-β fibrils in both redox states
Authors: Bhopatkar Anukool A. , Ghag Gaurav , Wolf Lauren M. , Dean Dexter N. , Moss Melissa A. , Rangachari Vijayaraghavan
Published: February 2019

Granulins (GRNs 1–7) are cysteine-rich proteolytic products of progranulin (PGRN) that have recently been implicated in neurodegenerative diseases including frontotemporal dementia (FTD) and Alzheimer's disease (AD). Their precise mechanism in these pathologies remains uncertain, but both inflammatory and lysosomal roles have been observed for GRNs. Among the seven GRNs, GRN-3 is well characterized and is implicated within the context of FTD. However, the relationship between GRN-3 and amyloid-β (Aβ), a protein relevant in AD pathology, has not yet been explored. To gain insight into this mechanism, we investigated the effect of both oxidized and reduced GRN-3 on Aβ aggregation and found that both GRN-3 (oxidized) and rGRN-3 (reduced) bind to monomeric and oligomeric Aβ42 to promote rapid fibril formation with subtle rate differences. As low molecular weight oligomers of Aβ are well-established neurotoxins, rapid promotion of fibrils by GRN-3 mitigates Aβ42-induced cellular apoptosis. These data provide valuable insights in understanding GRN-3's ability to modulate Aβ-induced toxicity under redox control and presents a new perspective toward AD pathology. These results also prompt further investigation into the role(s) of other GRNs in AD pathogenesis.
Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2)
Authors: Chaikuad Apirat , Koschade Sebastian E. , Stolz Alexandra , Zivkovic Katarina , Pohl Christian , Shaid Shabnam , Ren Huiyu , Lambert Lester J. , Cosford Nicholas D.P. , Brandts Christian H. , Knapp Stefan
Published: February 2019

Autophagy is essential for cellular homeostasis and when deregulated this survival mechanism has been associated with disease development. Inhibition of autophagy initiation by inhibiting the kinase ULK1 (Unc-51-like autophagy activating kinase 1) has been proposed as a potential cancer therapy. While inhibitors and crystal structures of ULK1 have been reported, little is known about the other closely related kinase ULK2 (Unc-51-like autophagy activating kinase 2). Here, we present the crystal structure of ULK2 in complex with ATP competitive inhibitors. Surprisingly, the ULK2 structure revealed a dimeric assembly reminiscent of dimeric arrangements of auto-activating kinases suggesting a role for this association in ULK activation. Screening of a kinase focused library of pre-clinical and clinical compounds revealed several potent ULK1/2 inhibitors and good correlation of inhibitor-binding behavior with both ULK kinases. Aurora A was identified as a major off-target of currently used ULK1 inhibitors. Autophagic flux assays demonstrated that this off-target activity by strongly inducing autophagy in different cellular systems conferred an additional layer of complexity in the interpretation of cellular data. The data presented here provide structural models and chemical starting points for the development of ULK1/2 dual inhibitors with improved selectivity for future exploitation of autophagy inhibition.
The role of VPS4 in ESCRT-III polymer remodeling
Authors: Caillat Christophe , Maity Sourav , Miguet Nolwenn , Roos Wouter H. , Weissenhorn Winfried
Published: February 2019

The endosomal sorting complex required for transport-III (ESCRT-III) and VPS4 catalyze a variety of membrane-remodeling processes in eukaryotes and archaea. Common to these processes is the dynamic recruitment of ESCRT-III proteins from the cytosol to the inner face of a membrane neck structure, their activation and filament formation inside or at the membrane neck and the subsequent or concomitant recruitment of the AAA-type ATPase VPS4. The dynamic assembly of ESCRT-III filaments and VPS4 on cellular membranes induces constriction of membrane necks with large diameters such as the cytokinetic midbody and necks with small diameters such as those of intraluminal vesicles or enveloped viruses. The two processes seem to use different sets of ESCRT-III filaments. Constriction is then thought to set the stage for membrane fission. Here, we review recent progress in understanding the structural transitions of ESCRT-III proteins required for filament formation, the functional role of VPS4 in dynamic ESCRT-III assembly and its active role in filament constriction. The recent data will be discussed in the context of different mechanistic models for inside-out membrane fission.
Coenzyme A: a protective thiol in bacterial antioxidant defence
Authors: Gout Ivan
Published: February 2019

Coenzyme A (CoA) is an indispensable cofactor in all living organisms. It is synthesized in an evolutionarily conserved pathway by enzymatic conjugation of cysteine, pantothenate (Vitamin B5), and ATP. This unique chemical structure allows CoA to employ its highly reactive thiol group for diverse biochemical reactions. The involvement of the CoA thiol group in the production of metabolically active CoA thioesters (e.g. acetyl CoA, malonyl CoA, and HMG CoA) and activation of carbonyl-containing compounds has been extensively studied since the discovery of this cofactor in the middle of the last century. We are, however, far behind in understanding the role of CoA as a low-molecular-weight thiol in redox regulation. This review summarizes our current knowledge of CoA function in redox regulation and thiol protection under oxidative stress in bacteria. In this context, I discuss recent findings on a novel mode of redox regulation involving covalent modification of cellular proteins by CoA, termed protein CoAlation.