bluuebunny/crossref_metadata_2025 huggingface dataset:
Microgravity induces proteomics changes involved in endoplasmic reticulum stress and mitochondrial protection
Authors: Feger Bryan J. , Thompson J. Will , Dubois Laura G. , Kommaddi Reddy P. , Foster Matthew W. , Mishra Rajashree , Shenoy Sudha K. , Shibata Yoichiro , Kidane Yared H. , Moseley M. Arthur , Carnell Lisa S. , Bowles Dawn E.
Published: September 2016

On Earth, biological systems have evolved in response to environmental stressors, interactions dictated by physical forces that include gravity. The absence of gravity is an extreme stressor and the impact of its absence on biological systems is ill-defined. Astronauts who have spent extended time under conditions of minimal gravity (microgravity) experience an array of biological alterations, including perturbations in cardiovascular function. We hypothesized that physiological perturbations in cardiac function in microgravity may be a consequence of alterations in molecular and organellar dynamics within the cellular milieu of cardiomyocytes. We used a combination of mass spectrometry-based approaches to compare the relative abundance and turnover rates of 848 and 196 proteins, respectively, in rat neonatal cardiomyocytes exposed to simulated microgravity or normal gravity. Gene functional enrichment analysis of these data suggested that the protein content and function of the mitochondria, ribosomes and endoplasmic reticulum were differentially modulated in microgravity. We confirmed experimentally that in microgravity protein synthesis was decreased while apoptosis, cell viability and protein degradation were largely unaffected. These data support our conclusion that in microgravity cardiomyocytes attempt to maintain mitochondrial homeostasis at the expense of protein synthesis. The overall response to this stress may culminate in cardiac muscle atrophy.
Stretch Injury of Human Induced Pluripotent Stem Cell Derived Neurons in a 96 Well Format
Authors: Sherman Sydney A. , Phillips Jack K. , Costa J. Tighe , Cho Frances S. , Oungoulian Sevan R. , Finan John D.
Published: September 2016

Traumatic brain injury (TBI) is a major cause of mortality and morbidity with limited therapeutic options. Traumatic axonal injury (TAI) is an important component of TBI pathology. It is difficult to reproduce TAI in animal models of closed head injury, but in vitro stretch injury models reproduce clinical TAI pathology. Existing in vitro models employ primary rodent neurons or human cancer cell line cells in low throughput formats. This in vitro neuronal stretch injury model employs human induced pluripotent stem cell-derived neurons (hiPSCNs) in a 96 well format. Silicone membranes were attached to 96 well plate tops to create stretchable, culture substrates. A custom-built device was designed and validated to apply repeatable, biofidelic strains and strain rates to these plates. A high content approach was used to measure injury in a hypothesis-free manner. These measurements are shown to provide a sensitive, dose-dependent, multi-modal description of the response to mechanical insult. hiPSCNs transition from healthy to injured phenotype at approximately 35% Lagrangian strain. Continued development of this model may create novel opportunities for drug discovery and exploration of the role of human genotype in TAI pathology.
Fabrication of potato-like silver molybdate microstructures for photocatalytic degradation of chronic toxicity ciprofloxacin and highly selective electrochemical detection of H2O2
Authors: Kumar J. Vinoth , Karthik R. , Chen Shen-Ming , Muthuraj V. , Karuppiah Chelladurai
Published: September 2016

In the present work, potato-like silver molybdate (Ag2MoO4) microstructures were synthesized through a simple hydrothermal method. The microstructures of Ag2MoO4were characterized by various analytical and spectroscopic techniques such as XRD, FTIR, Raman, SEM, EDX and XPS. Interestingly, the as-prepared Ag2MoO4showed excellent photocatalytic and electrocatalytic activity for the degradation of ciprofloxacin (CIP) and electrochemical detection of hydrogen peroxide (H2O2), respectively. The ultraviolet-visible (UV-Vis) spectroscopy results revealed that the potato-like Ag2MoO4microstructures could offer a high photocatalytic activity towards the degradation of CIP under UV-light illumination, leads to rapid degradation within 40 min with a degradation rate of above 98%. In addition, the cyclic voltammetry (CV) and amperometry studies were realized that the electrochemical performance of Ag2MoO4modified electrode toward H2O2detection. Our H2O2sensor shows a wide linear range and lower detection limit of 0.04–240 μM and 0.03 μM, respectively. The Ag2MoO4modified electrode exhibits a high selectivity towards the detection of H2O2in the presence of different biological interferences. These results suggested that the development of potato-like Ag2MoO4microstructure could be an efficient photocatalyst as well as electrocatalyst in the potential application of environmental, biomedical and pharmaceutical samples.
Quantifying the biases in metagenome mining for realistic assessment of microbial ecology of naturally fermented foods
Authors: Keisam Santosh , Romi Wahengbam , Ahmed Giasuddin , Jeyaram Kumaraswamy
Published: September 2016

Cultivation-independent investigation of microbial ecology is biased by the DNA extraction methods used. We aimed to quantify those biases by comparative analysis of the metagenome mined from four diverse naturally fermented foods (bamboo shoot, milk, fish, soybean) using eight different DNA extraction methods with different cell lysis principles. Our findings revealed that the enzymatic lysis yielded higher eubacterial and yeast metagenomic DNA from the food matrices compared to the widely used chemical and mechanical lysis principles. Further analysis of the bacterial community structure by Illumina MiSeq amplicon sequencing revealed a high recovery of lactic acid bacteria by the enzymatic lysis in all food types. However, Bacillaceae, Acetobacteraceae, Clostridiaceae and Proteobacteria were more abundantly recovered when mechanical and chemical lysis principles were applied. The biases generated due to the differential recovery of operational taxonomic units (OTUs) by different DNA extraction methods including DNA and PCR amplicons mix from different methods have been quantitatively demonstrated here. The different methods shared only 29.9–52.0% of the total OTUs recovered. Although similar comparative research has been performed on other ecological niches, this is the first in-depth investigation of quantifying the biases in metagenome mining from naturally fermented foods.
Reproductive toxicity and gender differences induced by cadmium telluride quantum dots in an invertebrate model organism
Authors: Yan Si-Qi , Xing Rui , Zhou Yan-Feng , Li Kai-Le , Su Yuan-Yuan , Qiu Jian-Feng , Zhang Yun-Hu , Zhang Ke-Qin , He Yao , Lu Xiao-Ping , Xu Shi-Qing
Published: September 2016

Sexual glands are key sites affected by nanotoxicity, but there is no sensitive assay for measuring reproductive toxicity in animals. The aim of this study was to investigate the toxic effects of cadmium telluride quantum dots (CdTe-QDs) on gonads in a model organism, Bombyx mori. After dorsal vein injection of 0.32 nmol of CdTe-QDs per individual, the QDs passed through the outer membranes of gonads via the generation of ROS in the membranes of spermatocysts and ovarioles, as well as internal germ cells, thereby inducing early germ cell death or malformations via complex mechanisms related to apoptosis and autophagy through mitochondrial and lysosomal pathways. Histological observations of the gonads and quantitative analyses of germ cell development showed that the reproductive toxicity was characterized by obvious male sensitivity. Exposure to QDs in the early stage of males had severe adverse effects on the quantity and quality of sperm, which was the main reason for the occurrence of unfertilized eggs. Ala- or Gly-conjugated QDs could reduce the nanotoxicity of CdTe-QDs during germ cell development and fertilization of their offspring. The results demonstrate that males are preferable models for evaluating the reproductive toxicity of QDs in combined in vivo/in vitro investigations.
Value of Measuring Bone Microarchitecture in Fracture Discrimination in Older Women with Recent Hip Fracture: A Case-control Study with HR-pQCT
Authors: Zhu Tracy Y. , Hung Vivian W. Y. , Cheung Wing-Hoi , Cheng Jack C. Y. , Qin Ling , Leung Kwok-Sui
Published: September 2016

We aimed to determine whether loss of volumetric bone mineral density (vBMD) and deterioration of microarchitecture imaged by high-resolution peripheral quantitative computed tomography at the distal radius/tibia provided additional information in fracture discrimination in postmenopausal women with recent hip fracture. This case-control study involved 24 postmenopausal Chinese women with unilateral femoral neck fracture (average [SD] age: 79.6[5.6]) and 24 age-matched women without any history of fracture. Each SD decrease in T-score at femoral neck (FN) was associated with a higher fracture risk (odds ratio: 6.905, p = 0.001). At the distal radius, fracture women had significantly lower total vBMD (−17.5%), fewer (−20.3%) and more unevenly spaced (81.4%) trabeculae and thinner cortices (−14.0%) (all p < 0.05). At the distal tibia, vBMD was on average −4.7% (cortical) to −25.4% (total) lower, trabecular microarchitecture was on average −19.8% (number) to 102% (inhomogeneity) inferior, cortices were thinner (−21.1%) and more porous (18.2%) (all p < 0.05). Adding parameters of vBMD and microarchitecture in multivariate models did not offer additional discriminative capacity of fracture status compared with using T-score at FN. In old postmenopausal women with already excessive loss of bone mass, measuring bone microarchitecture may provide limited added value to improve identification of risk of femoral neck fracture.
Layer-specific femorotibial cartilage T2 relaxation time in knees with and without early knee osteoarthritis: Data from the Osteoarthritis Initiative (OAI)
Authors: Wirth W. , Maschek S. , Roemer F.W. , Eckstein F.
Published: September 2016

Magnetic resonance imaging (MRI)-based spin-spin relaxation time (T2) mapping has been shown to be associated with cartilage matrix composition (hydration, collagen content & orientation). To determine the impact of early radiographic knee osteoarthritis (ROA) and ROA risk factors on femorotibial cartilage composition, we studied baseline values and one-year change in superficial and deep cartilage T2 layers in 60 subjects (age 60.6 ± 9.6 y; BMI 27.8 ± 4.8) with definite osteophytes in one knee (earlyROA, n = 32) and with ROA risk factors in the contralateral knee (riskROA, n = 28), and 89 healthy subjects (age 55.0 ± 7.5 y; BMI 24.4 ± 3.1) without signs or risk factors of ROA. Baseline T2 did not differ significantly between earlyROA and riskROA knees in the superficial (48.0 ± 3.5 ms vs. 48.1 ± 3.1 ms) or the deep layer (37.3 ± 2.5 ms vs. 37.3 ± 1.8 ms). However, healthy knees showed significantly lower superficial layer T2 (45.4 ± 2.3 ms) than earlyROA or riskROA knees (p ≤ 0.001) and significantly lower deep layer T2 (35.8 ± 1.8 ms) than riskROA knees (p = 0.006). Significant longitudinal change in T2 (superficial: 0.5 ± 1.4 ms; deep: 0.8 ± 1.3 ms) was only detected in healthy knees. These results do not suggest an association of early ROA (osteophytes) with cartilage composition, as assessed by T2 mapping, whereas cartilage composition was observed to differ between knees with and without ROA risk factors.
Genome-wide association study suggests common variants within RP11-634B7.4 gene influencing severe pre-treatment pain in head and neck cancer patients
Authors: Reyes-Gibby Cielito C. , Wang Jian , Silvas Mary Rose T. , Yu Robert K. , Hanna Ehab Y. , Shete Sanjay
Published: September 2016

Pain is often one of the first signs of squamous cell carcinoma of the head and neck (HNSCC). Pain at diagnosis is an important prognostic marker for the development of chronic pain and importantly, for the overall survival time. To identify variants influencing severe pre-treatment pain in 1,368 patients newly diagnosed with HNSCC, we conducted a genome-wide association study based on 730,525 tagging SNPs. The patients were all previously untreated for cancer. About 15% of the patients had severe pre-treatment pain, defined as pain score ≥7 (0 = “no pain” and 10 = “worst pain”). We identified 3 common genetic variants in high linkage disequilibrium for severe pre-treatment pain, representing one genomic region at 1q44 (rs3862188, P = 3.45 × 10−8; rs880143, P = 3.45 × 10−8; and rs7526880, P = 4.92 × 10−8), which maps to the RP11-634B7.4 gene, a novel antisense gene to three olfactory receptor genes. Olfactory receptor genes, upstream effectors of the MAPK signaling cascade, might be novel target genes for pain in HNSCC patients. Future experimental validation to explore biological mechanisms will be key to defining the role of the intronic variants and non-coding RNA for pain in patients with HNSCC.
HydDB: A web tool for hydrogenase classification and analysis
Authors: Søndergaard Dan , Pedersen Christian N. S. , Greening Chris
Published: September 2016

H2 metabolism is proposed to be the most ancient and diverse mechanism of energy-conservation. The metalloenzymes mediating this metabolism, hydrogenases, are encoded by over 60 microbial phyla and are present in all major ecosystems. We developed a classification system and web tool, HydDB, for the structural and functional analysis of these enzymes. We show that hydrogenase function can be predicted by primary sequence alone using an expanded classification scheme (comprising 29 [NiFe], 8 [FeFe] and 1 [Fe] hydrogenase classes) that defines 11 new classes with distinct biological functions. Using this scheme, we built a web tool that rapidly and reliably classifies hydrogenase primary sequences using a combination of k-nearest neighbors’ algorithms and CDD referencing. Demonstrating its capacity, the tool reliably predicted hydrogenase content and function in 12 newly-sequenced bacteria, archaea and eukaryotes. HydDB provides the capacity to browse the amino acid sequences of 3248 annotated hydrogenase catalytic subunits and also contains a detailed repository of physiological, biochemical and structural information about the 38 hydrogenase classes defined here. The database and classifier are freely and publicly available at http://services.birc.au.dk/hyddb/
Sanguisorba officinalis L synergistically enhanced 5-fluorouracil cytotoxicity in colorectal cancer cells by promoting a reactive oxygen species-mediated, mitochondria-caspase-dependent apoptotic pathway
Authors: Liu Meng-ping , Liao Min , Dai Cong , Chen Jie-feng , Yang Chun-juan , Liu Ming , Chen Zuan-guang , Yao Mei-cun
Published: September 2016

Sanguisorba officinalis L. radix is a widely used herb called DiYu (DY) in China and has an extensive range of bioactivities, including anti-cancer, anti-inflammatory, and anti-oxidative activities. However, there is little evidence to support its anti-cancer effects against colorectal cancer (CRC). The first-line chemotherapeutic agent 5-fluorouracil (5-FU) is used to treat CRC, but its efficiency is hampered by acquired drug resistance. This study found that a water extract of DY exerted anti-proliferative effects against two CRC cell lines (HCT-116 and RKO), and it sensitized CRC cells to 5-FU therapy by activating a reactive oxygen species (ROS)-mediated, mitochondria-caspase-dependent apoptotic pathway. Co-treatment of DY and 5-FU significantly elevated ROS levels, up-regulated Bax/Bcl-2 ratio and triggered mitochondrial dysfunction, followed by a release of cytochrome c and up-regulation of proteins such as cleaved-caspase-9/3 and cleaved-PARP. Additionally, the induction of autophagy may be involved in mediating synergism of DY in HCT-116 cells. Gallic acid (GA), catechinic acid (CA) and ellagic acid (EA) were identified as the potential chief constituents responsible for the synergistic effects of DY. In conclusion, co-treatment of DY, specifically GA, CA and EA, with 5-FU may be a potential alternative therapeutic strategy for CRC by enhancing an intrinsic apoptotic pathway.
Changes in disc status in the reducing and nonreducing anterior disc displacement of temporomandibular joint: a longitudinal retrospective study
Authors: Hu Ying Kai , Yang Chi , Xie Qian Yang
Published: September 2016

Treatment procedures for anterior disc displacement (ADD) of temporomandibular joint (TMJ) are far from reaching a consensus. The aim of the study was to evaluate disc status changes of anterior disc displacement with reduction (ADDWR) and without reduction (ADDWoR) comparatively, to get a better understanding of the disease progress without intervention. This longitudinal retrospective study included 217 joints in 165 patients, which were divided into ADDWR group and ADDWoR group based on magnetic resonance imaging (MRI) examination. The joints were assessed quantitatively for disc length and displacement distance at initial and follow-up visits. Disc morphology, which was classified in 5 types, was also evaluated. Paired t-test and Wilcoxon signed rank test were used to assess intra-group differences and independent t-test for inter-group differences. Moreover, analysis of covariance was applied to analyze influential factors for changes in disc length and displacement distance. According to our results, discs tended to become shorter, move further forward and distort more seriously in ADDWoR group than in ADDWR group after follow-up. Moreover, discs were prone to become shorter and more anteriorly displaced in teenagers, type I and III morphologies, advanced Wilkes stages, or those with joint effusion. Follow-up period seemed to be not critical.
Magnetic hyperthermia controlled drug release in the GI tract: solving the problem of detection
Authors: Bear Joseph C. , Patrick P. Stephen , Casson Alfred , Southern Paul , Lin Fang-Yu , Powell Michael J. , Pankhurst Quentin A. , Kalber Tammy , Lythgoe Mark , Parkin Ivan P. , Mayes Andrew G.
Published: September 2016

Drug delivery to the gastrointestinal (GI) tract is highly challenging due to the harsh environments any drug- delivery vehicle must experience before it releases it’s drug payload. Effective targeted drug delivery systems often rely on external stimuli to effect release, therefore knowing the exact location of the capsule and when to apply an external stimulus is paramount. We present a drug delivery system for the GI tract based on coating standard gelatin drug capsules with a model eicosane- superparamagnetic iron oxide nanoparticle composite coating, which is activated using magnetic hyperthermia as an on-demand release mechanism to heat and melt the coating. We also show that the capsules can be readily detected via rapid X-ray computed tomography (CT) and magnetic resonance imaging (MRI), vital for progressing such a system towards clinical applications. This also offers the opportunity to image the dispersion of the drug payload post release. These imaging techniques also influenced capsule content and design and the delivered dosage form. The ability to easily change design demonstrates the versatility of this system, a vital advantage for modern, patient-specific medicine.
Impact of the 2015 El Nino event on winter air quality in China
Authors: Chang Luyu , Xu Jianming , Tie Xuexi , Wu Jianbin
Published: September 2016

During the winter of 2015, there was a strong El Nino (ENSO) event, resulting in significant anomalies for meteorological conditions in China. Analysis shows that the meteorological conditions in December 2015 (compared to December 2014) had several important anomalies, including the following: (1) the surface southeasterly winds were significantly enhanced in the North China Plain (NCP); (2) the precipitation was increased in the south of eastern China; and (3) the wind speeds were decreased in the middle-north of eastern China, while slightly increased in the south of eastern China. These meteorological anomalies produced important impacts on the aerosol pollution in eastern China. In the NCP region, the PM2.5 concentrations were significantly increased, with a maximum increase of 80–100 μg m−3. A global chemical/transport model (MOZART-4) was applied to study the individual contribution of the changes in winds and precipitation to PM2.5 concentrations. This study suggests that the 2015El Nino event had significant effects on air pollution in eastern China, especially in the NCP region, including the capital city of Beijing, in which aerosol pollution was significantly enhanced in the already heavily polluted capital city of China.
The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers
Authors: Dahms Sven O. , Creemers John W. M. , Schaub Yvonne , Bourenkov Gleb P. , Zögg Thomas , Brandstetter Hans , Than Manuel E.
Published: September 2016

Proprotein Convertases (PCs) represent highly selective serine proteases that activate their substrates upon proteolytic cleavage. Their inhibition is a promising strategy for the treatment of cancer and infectious diseases. Inhibitory camelid antibodies were developed, targeting the prototypical PC furin. Kinetic analyses of them revealed an enigmatic non-competitive mechanism, affecting the inhibition of large proprotein-like but not small peptidic substrates. Here we present the crystal structures of furin in complex with the antibody Nb14 and of free Nb14 at resolutions of 2.0 Å and 2.3 Å, respectively. Nb14 binds at a site distant to the substrate binding pocket to the P-domain of furin. Interestingly, no major conformational changes were observed upon complex formation, neither for the protease nor for the antibody. Inhibition of furin by Nb14 is instead explained by steric exclusion of specific substrate conformers, explaining why Nb14 inhibits the processing of bulky protein substrates but not of small peptide substrates. This mode of action was further supported by modelling studies with the ternary factor X-furin-antibody complex and a mutation that disrupted the interaction interface between furin and the antibody. The observed binding mode of Nb14 suggests a novel approach for the development of highly specific antibody-based proprotein convertase inhibitors.
CD16 is indispensable for antibody-dependent cellular cytotoxicity by human monocytes
Authors: Yeap Wei Hseun , Wong Kok Loon , Shimasaki Noriko , Teo Esmeralda Chi Yuan , Quek Jeffrey Kim Siang , Yong Hao Xiang , Diong Colin Phipps , Bertoletti Antonio , Linn Yeh Ching , Wong Siew Cheng
Published: September 2016

Antibody-dependent cellular cytotoxicity (ADCC) is exerted by immune cells expressing surface Fcγ receptors (FcγRs) against cells coated with antibody, such as virus-infected or transformed cells. CD16, the FcγRIIIA, is essential for ADCC by NK cells, and is also expressed by a subset of human blood monocytes. We found that human CD16− expressing monocytes have a broad spectrum of ADCC capacities and can kill cancer cell lines, primary leukemic cells and hepatitis B virus-infected cells in the presence of specific antibodies. Engagement of CD16 on monocytes by antibody bound to target cells activated β2-integrins and induced TNFα secretion. In turn, this induced TNFR expression on the target cells, making them susceptible to TNFα-mediated cell death. Treatment with TLR agonists, DAMPs or cytokines, such as IFNγ, further enhanced ADCC. Monocytes lacking CD16 did not exert ADCC but acquired this property after CD16 expression was induced by either cytokine stimulation or transient transfection. Notably, CD16+ monocytes from patients with leukemia also exerted potent ADCC. Hence, CD16+ monocytes are important effectors of ADCC, suggesting further developments of this property in the context of cellular therapies for cancer and infectious diseases.
Reversal of neurobehavioral social deficits in dystrophic mice using inhibitors of phosphodiesterases PDE5A and PDE9A
Authors: Alexander M S , Gasperini M J , Tsai P T , Gibbs D E , Spinazzola J M , Marshall J L , Feyder M J , Pletcher M T , Chekler E L P , Morris C A , Sahin M , Harms J F , Schmidt C J , Kleiman R J , Kunkel L M
Published: September 2016

Duchenne muscular dystrophy is caused by mutations in the DYSTROPHIN gene. Although primarily associated with muscle wasting, a significant portion of patients (approximately 25%) are also diagnosed with autism spectrum disorder. We describe social behavioral deficits in dystrophin-deficient mice and present evidence of cerebellar deficits in cGMP production. We demonstrate therapeutic potential for selective inhibitors of the cGMP-specific PDE5A and PDE9A enzymes to restore social behaviors in dystrophin-deficient mice.
Bottom-up proteomics suggests an association between differential expression of mitochondrial proteins and chronic fatigue syndrome
Authors: Ciregia F , Kollipara L , Giusti L , Zahedi R P , Giacomelli C , Mazzoni M R , Giannaccini G , Scarpellini P , Urbani A , Sickmann A , Lucacchini A , Bazzichi L
Published: September 2016

Chronic fatigue syndrome (CFS) is a debilitating and complex disorder characterized by unexplained fatigue not improved by rest. An area of investigation is the likely connection of CFS with defective mitochondrial function. In a previous work, we investigated the proteomic salivary profile in a couple of monozygotic twins discordant for CFS. Following this work, we analyzed mitochondrial proteins in the same couple of twins. Nano-liquid chromatography electrospray ionization mass spectrometry (nano-LC-MS) was used to study the mitochondria extracted from platelets of the twins. Subsequently, we selected three proteins that were validated using western blot analysis in a big cohort of subjects (n=45 CFS; n=45 healthy), using whole saliva (WS). The selected proteins were as follows: aconitate hydratase (ACON), ATP synthase subunit beta (ATPB) and malate dehydrogenase (MDHM). Results for ATPB and ACON confirmed their upregulation in CFS. However, the MDHM alteration was not confirmed. Thereafter, seeing the great variability of clinical features of CFS patients, we decided to analyze the expression of our proteins after splitting patients according to clinical parameters. For each marker, the values were actually higher in the group of patients who had clinical features similar to the ill twin. In conclusion, these results suggest that our potential markers could be one of the criteria to be taken into account for helping in diagnosis. Furthermore, the identification of biomarkers present in particular subgroups of CFS patients may help in shedding light upon the complex entity of CFS. Moreover, it could help in developing tailored treatments.
Correction: Evaluation of a nitrogen-incorporated tetrahedral amorphous carbon thin film for the detection of tryptophan and tyrosine using flow injection analysis with amperometric detection
Authors: Jarošová Romana , Rutherford Joy , Swain Greg M.
Published: September 2016

Correction for ‘Evaluation of a nitrogen-incorporated tetrahedral amorphous carbon thin film for the detection of tryptophan and tyrosine using flow injection analysis with amperometric detection’ by Romana Jarošová, et al., Analyst, 2016, DOI: 10.1039/c6an01379a.
A conformation and charge co-modulated ultrasensitive biomimetic ion channel
Authors: Cai Sheng-Lin , Zheng Yu-Bin , Cao Shuo-Hui , Cai Xiu-Hong , Li Yao-Qun
Published: September 2016

For the first time, an ultrasensitive nanopore-based sensor that co-modulated simultaneously by conformation and charge has been developed for the detection of ATP.
Bimetallic MOFs (H3O)x[Cu(MF6)(pyrazine)2]·(4 − x)H2O (M = V4+, x = 0; M = Ga3+, x = 1): co-existence of ordered and disordered quantum spins in the V4+ system
Authors: Manson Jamie L. , Schlueter John A. , Garrett Kerry E. , Goddard Paul A. , Lancaster Tom , Möller Johannes S. , Blundell Stephen J. , Steele Andrew J. , Franke Isabel , Pratt Francis L. , Singleton John , Bendix Jesper , Lapidus Saul H. , Uhlarz Marc , Ayala-Valenzuela Oscar , McDonald Ross D. , Gurak Mary , Baines Christopher
Published: September 2016

These bimetallic MOFs contain [Cu(pyz)2]2+ sheets and MF6n− octahedra whereby only the Cu(ii) moments magnetically order.
Ion mobility separation of deprotonated oligosaccharide isomers – evidence for gas-phase charge migration
Authors: Struwe W. B. , Baldauf C. , Hofmann J. , Rudd P. M. , Pagel K.
Published: September 2016

Ion mobility-mass spectrometry in combination with quantum chemical calculations provides evidence that the charge in deprotonated glycan ions is mobile.
Synthetic quinolone signal analogues inhibiting the virulence factor elastase of Pseudomonas aeruginosa
Authors: Szamosvári Dávid , Reichle Valentin F. , Jureschi Monica , Böttcher Thomas
Published: September 2016

We describe the synthesis of analogs of the Pseudomonas quinolone signal and the discovery of a potent inhibitor of the important virulence factor elastase of the human pathogenPseudomonas aeruginosa.
Anion size control of the packing in the metallic versus semiconducting chiral radical cation salts (DM-EDT-TTF)2XF6 (X = P, As, Sb)
Authors: Pop Flavia , Auban-Senzier Pascale , Canadell Enric , Avarvari Narcis
Published: September 2016

Tuning of the structural type and conducting properties have been achieved through chirality of the precursor and anion size.
Chemodivergent synthesis of multi-substituted/fused pyrroles via copper-catalyzed carbene cascade reaction of propargyl α-iminodiazoacetates
Authors: Zhang Cheng , Chang Sailan , Qiu Lihua , Xu Xinfang
Published: September 2016

A novel cascade reactionviaγ-imino carbene is developed, which provides access to pyrroles in high yield with structure diversity.
The role of extracellular DNA in uranium precipitation and biomineralisation
Authors: Hufton Joseph , Harding John H. , Romero-González Maria E.
Published: September 2016

The reaction mechanism for the formation of uranyl–eDNA precipitates was determined as a phosphate mediated process.
Solution-processed organic thermoelectric materials exhibiting doping-concentration-dependent polarity
Authors: Hwang Sunbin , Potscavage William J. , Yang Yu Seok , Park In Seob , Matsushima Toshinori , Adachi Chihaya
Published: September 2016

Organic thermoelectric generators exhibiting doping-concentration-dependent polarity.
Computational investigation into the gas-phase ozonolysis of the conjugated monoterpene α-phellandrene
Authors: Mackenzie-Rae F. A. , Karton A. , Saunders S. M.
Published: September 2016

The gas-phase ozonolysis mechanism of α-phellandrene is studied for the first time using high-level computational methods.
Enhanced photoelectrochemical water splitting efficiency of hematite electrodes with aqueous metal ions as in situ homogenous surface passivation agents
Authors: Wang Tsing Hai , Cheng Yu-Jung , Wu Yi-Yo , Lin Chih-Ang , Chiang Chia-Che , Hsieh Yi-Kong , Wang Chu-Fang , Huang C. P.
Published: September 2016

Interactions between aqueous metal ions with hematite electrodes can in situ passivate surface states and thus enhance PEC efficiency.
Growth mechanism of Ge-doped CZTSSe thin film by sputtering method and solar cells
Authors: Li Jinze , Shen Honglie , Chen Jieyi , Li Yufang , Yang Jiale
Published: September 2016

Ge-Doped CZTSSe thin films were obtained by covering a thin Ge layer on CZTS precursors, followed by a selenization process.
Crystal structures and superconductivity of technetium hydrides under pressure
Authors: Li Xiaofeng , Liu Hanyu , Peng Feng
Published: September 2016

Guided by a simple strategy in search of new superconducting materials, we have performed extensive simulations on crystal structures and electronic properties of Tc–H compounds at high pressures.
Elucidation of the local dynamics of domain-III of human serum albumin over the ps–μs time regime using a new fluorescent label
Authors: Sengupta Bhaswati , Acharyya Arusha , Sen Pratik
Published: September 2016

The ps–μs dynamics of domain-III of human serum albumin (HSA) has been investigated using a new fluorescent marker selectively labeled to the Tyr-411 residue.
CO oxidation activity enhancement of Ce0.95Cu0.05O2−δ induced by Pd co-substitution
Authors: Cwele Thandanani , Mahadevaiah N. , Singh Sooboo , Friedrich Holger B. , Yadav A. K. , Jha S. N. , Bhattacharyya D. , Sahoo N. K.
Published: September 2016

Synergism between Pd2+, Cu2+ and cerium ions in Ce0.93Pd0.02Cu0.05O2−δ gives improved reducibility and superior performance for CO oxidation.
Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs
Authors: Suhr Kristin J. , Bastatas Lyndon D. , Shen Yulong , Mitchell Lauren A. , Frazier Gary A. , Taylor David W. , Slinker Jason D. , Holliday Bradley J.
Published: September 2016

A series of cationic iridium complexes with bulky, hydrophobic phenyl substituents, doped with LiPF6, in single-layer light-emitting electrochemical cells display reduced response times, modest lifetimes, and high luminances.
Removal of heavy metals from contaminated soil by electrodialytic remediation enhanced with organic acids
Authors: Merdoud Ouarda , Cameselle Claudio , Boulakradeche Mohamed Oualid , Akretche Djamal Eddine
Published: September 2016

The soil from an industrial area in Algeria was contaminated with Cr (8370 mg kg−1), Ni (1135 mg kg−1) and zinc (1200 mg kg−1).
Combined experimental and computational approach to developing efficient photocatalysts based on Au/Pd–TiO2nanoparticles
Authors: Mikolajczyk Alicja , Malankowska Anna , Nowaczyk Grzegorz , Gajewicz Agnieszka , Hirano Seishiro , Jurga Stefan , Zaleska-Medynska Adriana , Puzyn Tomasz
Published: September 2016

Quantitative structure–photocatalytic activity relationship modeling of surface modified TiO2-based nanoparticles.
Influence of laser parameters on isotope fractionation and optimisation of lithium and boron isotope ratio measurements using laser ablation-multiple Faraday collector-inductively coupled plasma mass spectrometry
Authors: Kimura Jun-Ichi , Chang Qing , Ishikawa Tsuyoshi , Tsujimori Tatsuki
Published: September 2016

Ablation volume correction accurately corrects for mass bias of δ7Li and δ11B in LA-MFC-ICPMS.
A paper-based in vitro model for on-chip investigation of the human respiratory system
Authors: Rahimi Rahim , Htwe Su Su , Ochoa Manuel , Donaldson Amy , Zieger Michael , Sood Rajiv , Tamayol Ali , Khademhosseini Ali , Ghaemmaghami Amir M. , Ziaie Babak
Published: September 2016

We present the use of direct-patterned laser-treated hydrophobic paper as an effective semi-permeable membrane, ideal for air–liquid interface cell culture.
Molecular dynamics studies on the DNA-binding process of ERG
Authors: Beuerle Matthias G. , Dufton Neil P. , Randi Anna M. , Gould Ian R.
Published: September 2016

Molecular dynamics study elucidating the mechanistic background of the DNA-binding process and the sequence specificity of the transcription factor ERG. Along with the biological findings the capabilities of unbiased DNA-binding simulations in combination with various means of analysis in the field of protein DNA-interactions are shown.
Body-centred cubic packing of spheres – the ultimate thermotropic assembly mode for highly divergent dendrons
Authors: Yao Xiaohong , Cseh Liliana , Zeng Xiangbing , Xue Min , Liu Yongsong , Ungar Goran
Published: September 2016

Na salts of benzoic acid carrying five long alkoxy chains (“hyperbranched” AB5 minidendrons) self-assemble into spheres which shrink to half their size on heating and display chain back-folding, obeying the predictions of the proposed geometrical model of self-assembly of taper-shaped molecules.
Disrupting the PCSK9/LDLR protein–protein interaction by an imidazole-based minimalist peptidomimetic
Authors: Stucchi Mattia , Grazioso Giovanni , Lammi Carmen , Manara Silvia , Zanoni Chiara , Arnoldi Anna , Lesma Giordano , Silvani Alessandra
Published: September 2016

We report on a tetraimidazole-based β-strand minimalist peptidomimetic as a novel inhibitor of LDLR–PCSK9 protein–protein interaction, a promising target for hypercholesterolemia.
Magnesium salt promoted tandem nucleophilic addition–Oppenauer oxidation of aldehydes with organozinc reagents
Authors: Fu Ying , Zhao Xing Ling , Hügel Hulmet , Huang Danfeng , Du Zhengyin , Wang Kehu , Hu Yulai
Published: September 2016

A facile synthesis of aromatic ketonesviatandem nucleophilic addition–Oppenauer oxidation of aromatic aldehydes with organozinc reagents was demonstrated. Magnesium saltin situgeneratedviaorganozinc formation is a powerful promotor for this transformation.
A red fluorophore comprising a borinate-containing xanthene analogue as a polyol sensor
Authors: Shimomura N. , Egawa Y. , Miki R. , Fujihara T. , Ishimaru Y. , Seki T.
Published: September 2016

A xanthene derivative containing a borinate centre emitted red fluorescence. Sugars induced a spectral change through modification of the LUMO and catechol quenched the fluorescence by PET.
Strain-promoted azide–alkyne cycloaddition for protein–protein coupling in the formation of a bis-hemoglobin as a copper-free oxygen carrier
Authors: Singh Serena , Dubinsky-Davidchik Ina S. , Kluger Ronald
Published: September 2016

Conventional chemical approaches to protein–protein coupling present challenges due to the intrinsic competition between the desired interactions of reagents with groups of the protein as well as reactions with water.
Cyclodextrin-based facial amphiphiles: assessing the impact of the hydrophilic–lipophilic balance in the self-assembly, DNA complexation and gene delivery capabilities
Authors: Pflueger Iris , Charrat Coralie , Mellet Carmen Ortiz , García Fernández José M. , Di Giorgio Christophe , Benito Juan M.
Published: September 2016

Precise tailoring of cationic and lipophilic domains of cyclodextrin-based amphiphiles permits the control of their self-assembling and gene delivery capabilities.
Enhanced photoredox chemistry in surface-modified Mg2TiO4 nano-powders with bidentate benzene derivatives
Authors: Medić Mina M. , Vasić Marija , Zarubica Aleksandra R. , Trandafilović Lidija V. , Dražić Goran , Dramićanin Miroslav D. , Nedeljković Jovan M.
Published: September 2016

The absorption of Mg2TiO4 nano-powder was extended to visible spectral region upon surface modification with salicylate-and catecholate-type of ligands. Degradation of crystal violet over synthesized powders indicated their photocatalytic ability.
Destabilization of lithium hydride and the thermodynamic assessment of the Li–Al–H system for solar thermal energy storage
Authors: Javadian Payam , Sheppard Drew A. , Jensen Torben R. , Buckley Craig E.
Published: September 2016

2LiH(s) + 2Al(s) → 2LiAl(s) + H2(g).
CpG and transfer factor assembled on nanoparticles reduce tumor burden in mice glioma model
Authors: Miao Yi-Feng , Lv Tao , Wang Ran , Wu Hui , Yang Shao-Feng , Dai Jiong , Zhang Xiao-Hua
Published: September 2016

This work describes the use of a transfer factor, a low molecular protein that can transfer cell mediated immunity from donor to recipient, and CpG, a clinically relevant toll-like receptor agonist, for treating glioma.
Grain boundary effects on Li-ion diffusion in a Li1.2Co0.13Ni0.13Mn0.54O2 thin film cathode studied by scanning probe microscopy techniques
Authors: Yang Shan , Yan Binggong , Lu Li , Zeng Kaiyang
Published: September 2016

This paper presents the results of in situ characterization of grain boundary effects on Li-ion diffusion in Li1.2Co0.13Ni0.13Mn0.54O2 thin film cathode by using various Scanning Probe Microscopy (SPM) techniques.
Superior white light emission and color tunability of tri-doped YBO3:Tb3+, Eu3+and Dy3+for white light emitting diodes
Authors: Das Kaushik , Marathe Archis , Zhang Xianwen , Zhao Zhi , Chaudhuri Jharna
Published: September 2016

White light was obtained by successful blending of blue, green, orange and red emissions from tri-doped YBO3.
Layer-by-layer coated molecular-imprinted solid-phase microextraction fibers for the determination of polar compounds in water samples
Authors: Zhang Maosheng , Huang Jiarong
Published: September 2016

In this study, the selective extraction of polar compound in water samples was reported using molecular-imprinted solid-phase microextraction (MISPME) combined with dispersive liquid–liquid microextraction (DLLME) within situderivatization.
Plasma assisted atomic layer deposited hafnium oxide films for silicon surface passivation
Authors: Singh Rajbir , Vandana Vandana , Panigrahi Jagannath , Singh P. K.
Published: September 2016

Plasma assisted ALD deposited hafnium oxide films are studied for silicon surface passivation. SRV < 40 cm s−1 are realized under optimised conditions.
Fe(iii)-mediated isomerization of α,α-diarylallylic alcohols to ketones via radical 1,2-aryl migration
Authors: Deng Ziyang , Chen Changwei , Cui Sunliang
Published: September 2016

An Fe(iii)-mediated radical 1,2-aryl migration of α,α-diarylallylic alcohols for the isomerization to ketones is described.
Aluminum/copper oxide nanostructured energetic materials prepared by solution chemistry and electrophoretic deposition
Authors: Zhou Xiang , Ke Xiang , Jiang Wei
Published: September 2016

Al/CuO nanostructured energetic materials with improved energy-release characteristics were prepared by solution chemistry and electrophoretic deposition.
Boosting the optimization process of perovskite solar cells by partial sampling and kriging method
Authors: Ariyarit Atthaporn , Takenaka Issei , Yoshikawa Ryohei , Gillot Frédéric , Shiratori Seimei
Published: September 2016

We developed the fast optimization method with Kriging interpolation for the perovskite solar cell. This versatile method exhibited the two orders of magnitude lower number of required experiment for the perovskite solar cell optimization.
Defects induced changes in the electronic structures of MgO and their correlation with the optical properties: a special case of electron–hole recombination from the conduction band
Authors: Pathak Nimai , Ghosh Partha Sarathi , Gupta Santosh K. , Kadam Ramakant Mahadeo , Arya Ashok
Published: September 2016

Defect induced tunable emission in MgO is investigated using photoluminescence and DFT calculations.
Production and distillative recovery of valuable lignin-derived products from biocrude
Authors: Mante Ofei D. , Dayton David C. , Soukri Mustapha
Published: September 2016

High-value guaiacols isolated from biocrude produced from catalytic pyrolysis of loblolly pine with non-zeolite alumina based catalyst.
Invariom approach to electron density studies of open-shell compounds: the case of an organic nitroxide radical
Authors: Nelyubina Yu. V. , Ananyev I. V. , Novikov V. V. , Lyssenko K. A.
Published: September 2016

The study reports the successful modeling of electron density with invarioms for an open-shell compound, an organic nitroxide radical.
Direct reductive coupling of indoles to nitrostyrenes en route to (indol-3-yl)acetamides
Authors: Aksenov Alexander V. , Aksenov Nicolai A. , Dzhandigova Zarema V. , Aksenov Dmitrii A. , Voskressensky Leonid G. , Nenajdenko Valentine G. , Rubin Michael
Published: September 2016

A highly efficient one-pot method for the reductive coupling of indoles to nitrostyrenes in PPA doped with PCl3was developed. This method allows direct access to primary (indol-3-yl)acetamides, interesting as anti-cancer drug candidates.
Stereoselective glycoconjugation of steroids with selenocarbohydrates
Authors: Affeldt Ricardo F. , Santos Francisco P. , da Silva Rafael S. , Rodrigues Oscar E. D. , Wessjohann Ludger A. , Lüdtke Diogo S.
Published: September 2016

A methodology that brings together sugar and steroid scaffolds linked by a selenium atom is discussed in this work.
Investigation of twisted intercalating nucleic acid (TINA)-modified antisense oligonucleotides for splice modulation by induced exon-skipping in vitro
Authors: Le Bao T. , Filichev Vyacheslav V. , Veedu Rakesh N.
Published: September 2016

We have investigated the applicability of twisted intercalating nucleic acids (TINA)-modified antisense oligonucleotides (AOs) in exon skipping. We found that TINA-modified AOs induced exon skipping.
Reversible ratiometric detection of highly reactive hydropersulfides using a FRET-based dual emission fluorescent probe
Authors: Kawagoe Ryosuke , Takashima Ippei , Uchinomiya Shohei , Ojida Akio
Published: September 2016

A ratiometric fluorescent probe that can visualize endogenously produced hydropersulfides has been developed.
Fabrication of metallic charge transfer channel between photoanode Ti/Fe2O3 and cocatalyst CoOx: an effective strategy for promoting photoelectrochemical water oxidation
Authors: Li Shuo , Zhao Qidong , Meng Dedong , Wang Dejun , Xie Tengfeng
Published: September 2016

The influence of interface charge transfer between the semiconductor and cocatalyst has rarely been addressed. The concept of construction of a metallic charge transfer channel could be employed as a general strategy for photoconversion applications.
Low powered, tunable and ultra-light aerographite sensor for climate relevant gas monitoring
Authors: Lupan O. , Postica V. , Mecklenburg M. , Schulte K. , Mishra Y. K. , Fiedler B. , Adelung R.
Published: September 2016

We report on a low-powered ultra-light sensor based on a 3-D-microtube network from a 2-D graphene/nanographite, called aerographite.
A bismuth oxide nanosheet-coated electrospun carbon nanofiber film: a free-standing negative electrode for flexible asymmetric supercapacitors
Authors: Li Lu , Zhang Xitian , Zhang Zhiguo , Zhang Mingyi , Cong Lujia , Pan Yu , Lin Shuangyan
Published: September 2016

The development of a negative electrode for supercapacitors is very critical for the next-generation of energy-storage devices while it remains a great challenge.
Characterization of mesoporous calcium phosphates from calcareous marine sediments containing Si, Sr and Zn for bone tissue engineering
Authors: Silva D. F. , Friis T. E. , Camargo N. H. A. , Xiao Y.
Published: September 2016

Calcium phosphates (CAPs) can be produced from either biologically sourced materials or mineral deposits.
Tetrazole iridium(iii) complexes as a class of phosphorescent emitters for high-efficiency OLEDs
Authors: Umamahesh B. , Karthikeyan N. S. , Sathiyanarayanan K. I. , Malicka J. M. , Cocchi M.
Published: September 2016

Iridium(iii) complexes incorporating a tetrazole pyridine ligand can be successfully used as phosphorescent emitters in the fabrication of highly efficient OLEDs.
Electrical and mechanical self-healing membrane using gold nanoparticles as localized “nano-heaters”
Authors: Chen Lei , Si Liping , Wu Feng , Chan Shuk Ying , Yu Puiyan , Fei Bin
Published: September 2016

The tri-layered membrane is capable of both structural and electrical healing at the same damaged location for multiple times.
Exploring Mn2+-location-dependent red emission from (Mn/Zn)–Ga–Sn–S supertetrahedral nanoclusters with relatively precise dopant positions
Authors: Zhang Qian , Lin Jian , Yang Yun-Tao , Qin Zhen-Zhen , Li Dongsheng , Wang Shuao , Liu Yipu , Zou Xiaoxin , Wu Yan-Bo , Wu Tao
Published: September 2016

Temperature-sensitive and Mn2+-location-dependent red emission from (Mn/Zn)–Ga–Sn–S supertetrahedral nanoclusters.
Luminescence properties of Er3+-doped transparent NaYb2F7 glass-ceramics for optical thermometry and spectral conversion
Authors: Hu Fangfang , Cao Jiangkun , Wei Xiantao , Li Xinyue , Cai Jiajia , Guo Hai , Chen Yonghu , Duan Chang-Kui , Yin Min
Published: September 2016

(a) Transmission electron microscopy images and (b) normalized up-conversion emission spectra of transparent Er3+-doped NaYb2F7 GC680 at various temperatures from 300 to 773 K.
Multifunctional hexacatenar mesogen exhibiting supergelation, AIEE and its ability as a potential volatile acid sensor
Authors: Pradhan Balaram , Gupta Monika , Pal Santanu Kumar , Achalkumar Ammathnadu S.
Published: September 2016

Hexacatenar columnar liquid crystal exhibiting gelation, AIEE and acid sensing behavior.