bluuebunny/crossref_metadata_2025 huggingface dataset:
Experimental maturation of Archaea encrusted by Fe-phosphates
Authors: Miot J. , Bernard S. , Bourreau M. , Guyot F. , Kish A.
Published: November 2017

Burial is generally detrimental to the preservation of biological signals. It has often been assumed that (bio)mineral-encrusted microorganisms are more resistant to burial-induced degradation than non-encrusted ones over geological timescales. For the present study, we submitted Sulfolobus acidocaldarius experimentally encrusted by amorphous Fe phosphates to constrained temperature conditions (150 °C) under pressure for 1 to 5 days, thereby simulating burial-induced processes. We document the molecular and mineralogical evolution of these assemblages down to the sub-micrometer scale using X-ray diffraction, scanning and transmission electron microscopies and synchrotron-based X-ray absorption near edge structure spectroscopy at the carbon K-edge. The present results demonstrate that the presence of Fe-phosphates enhances the chemical degradation of microbial organic matter. While Fe-phosphates remained amorphous in abiotic controls, crystalline lipscombite (FeIIxFeIII3−x(PO4)2(OH)3−x) entrapping organic matter formed in the presence of S. acidocaldarius cells. Lipscombite textures (framboidal vs. bipyramidal) appeared only controlled by the initial level of encrustation of the cells, suggesting that the initial organic matter to mineral ratio influences the competition between nucleation and crystal growth. Altogether these results highlight the important interplay between minerals and organic matter during fossilization, which should be taken into account when interpreting the fossil record.
Repurposing an inhibitor of ribosomal biogenesis with broad anti-fungal activity
Authors: Sun Nuo , Li Dongmei , Zhang Yuhan , Killeen Kyle , Groutas William , Calderone Richard
Published: November 2017

The lack of new antifungal compounds with unique mechanisms of action is a concern for therapeutic management of patients. To identify inhibitors against human pathogenic fungi, we screened ~3000 compounds provided by the Developmental Therapeutics Program of NIH/NCI against a panel of pathogenic fungi including Candida species, Aspergillus fumigatus, and Cryptococcus neoformans. NSC319726 (a thiosemicarbazone) had broad antifungal activity in the range of 0.1–2.0 µg/ml and was also inhibitory to fluconazole-resistant isolates of Candida species. Synergy was demonstrated with NSC319726 and azoles, as well as caspofungin. The inhibitory concentration 50% (IC50) of NSC319726 was 35–800-fold higher than the Minimum Inhibitory Concentration 50% (MIC50 values), which indicates low compound toxicity to human cells in vitro. Transcriptome analysis of treated and untreated C. albicans using Gene Ontology (GO) revealed a large cluster of down regulated genes that encode translational proteins, especially those with ribosome biogenesis functions. As NSC319726 was first shown to have anti-cancer activity, its affects against human pathogenic fungi establish NSC319726 as a repurposed, off-patent compound that has potential antifungal activity. The minimal in vitro toxicity of lead optimized NSC319726 and its reasonable inhibitory activity against pathogens suggest advancing this compound to in vivo toxicity testing and protection studies against candidiasis.
Free SepF interferes with recruitment of late cell division proteins
Authors: Gao Yongqiang , Wenzel Michaela , Jonker Martijs J. , Hamoen Leendert W.
Published: November 2017

The conserved cell division protein SepF aligns polymers of FtsZ, the key cell division protein in bacteria, during synthesis of the (Fts)Z-ring at midcell, the first stage in cytokinesis. In addition, SepF acts as a membrane anchor for the Z-ring. Recently, it was shown that SepF overexpression in Mycobacterium smegmatis blocks cell division. Why this is the case is not known. Surprisingly, we found in Bacillus subtilis that SepF overproduction does not interfere with Z-ring assembly, but instead blocks assembly of late division proteins responsible for septum synthesis. Transposon mutagenesis suggested that SepF overproduction suppresses the essential WalRK two-component system, which stimulates expression of ftsZ. Indeed, it emerged that SepF overproduction impairs normal WalK localization. However, transcriptome analysis showed that the WalRK activity was in fact not reduced in SepF overexpressing cells. Further experiments indicated that SepF competes with EzrA and FtsA for binding to FtsZ, and that binding of extra SepF by FtsZ alleviates the cell division defect. This may explain why activation of WalRK in the transposon mutant, which increases ftsZ expression, counteracts the division defect. In conclusion, our data shows that an imbalance in early cell division proteins can interfere with recruitment of late cell division proteins.
CEA but not CA19-9 is an independent prognostic factor in patients undergoing resection of cholangiocarcinoma
Authors: Loosen Sven H. , Roderburg Christoph , Kauertz Katja L. , Koch Alexander , Vucur Mihael , Schneider Anne T. , Binnebösel Marcel , Ulmer Tom F. , Lurje Georg , Schoening Wenzel , Tacke Frank , Trautwein Christian , Longerich Thomas , Dejong Cornelis H. , Neumann Ulf P. , Luedde Tom
Published: November 2017

Cholangiocarcinoma (CCA) represents a rare form of primary liver cancer with increasing incidence but dismal prognosis. Surgical treatment has remained the only potentially curative treatment option, but it remains unclear which patients benefit most from liver surgery, highlighting the need for new preoperative stratification strategies. In clinical routine, CA19-9 represents the most widely used tumor marker in CCA patients. However, data on the prognostic value of CA19-9 in CCA patients are limited and often inconclusive, mostly due to small cohort sizes. Here, we investigated the prognostic value of CA19-9 in comparison with other standard laboratory markers in a large cohort of CCA patients that underwent tumor resection. Of note, while CA19-9 and CEA were able to discriminate between CCA and healthy controls, CEA showed a higher accuracy for the differentiation between CCA and patients with primary sclerosing cholangitis (PSC) compared to CA19-9. Furthermore, patients with elevated levels of C-reactive protein (CRP), CA19-9 or CEA showed a significantly impaired survival in Kaplan-Meier curve analysis, but surprisingly, only CEA but not CA19-9 represented an independent predictor of survival in multivariate Cox-regression analysis. Our data suggest that CEA might help to identify CCA patients with an unfavourable prognosis after tumor resection.
Preoperative serum thyroglobulin predicts initial distant metastasis in patients with differentiated thyroid cancer
Authors: Kim Hosu , Kim Young Nam , Kim Hye In , Park So Young , Choe Jun-Ho , Kim Jung-Han , Kim Jee Soo , Chung Jae Hoon , Kim Tae Hyuk , Kim Sun Wook
Published: November 2017

Differentiated thyroid cancer (DTC) generally has a favorable prognosis. However, a small percentage of patients suffer from initial distant metastasis (DM). To date, there is no effective predictor for the presence of initial DM. The aim of this study was to determine if preoperative serum thyroglobulin (Tg) level could predict initial DM in DTC. We reviewed an institutional thyroid cancer database from October 1994 to February 2016. To determine the Tg cutoff for predicting initial DM, 4,735 patients who were diagnosed with DTC were included in this study. Fifty-seven patients (1.2%) were identified as having DTC with initial DM. Median preoperative Tg level was 328.4 ng/ml in the initial DM group and 10.0 ng/ml in the non-DM group. Initial DM was the most important factor affecting serum Tg level (β = 2,049.32 ± 103.40;P < 0.001). The Tg cutoff level that distinguished overall DM with the greatest accuracy was 63.4 ng/ml [area under the ROC curve 0.914, sensitivity 84.2%, specificity 90.6%, negative likelihood ratio (LR) 0.17, and positive LR 8.97]. Preoperative Tg levels were useful for predicting initial DM of DTC. Measurement of serum Tg in patients with DTC may guide preoperative staging evaluation and initial treatment.
Novel Mechanism of the Pericyte-Myofibroblast Transition in Renal Interstitial Fibrosis: Core Fucosylation Regulation
Authors: Wang Nan , Deng Yiyao , Liu Anqi , Shen Nan , Wang Weidong , Du Xiangning , Tang Qingzhu , Li Shuangxin , Odeh Zach , Wu Taihua , Lin Hongli
Published: November 2017

Pericytes have been identified as a major source of myofibroblasts in renal interstitial fibrosis (RIF). The overactivation of several signaling pathways, mainly the TGF-β and PDGF pathways, initiates the pericyte-myofibroblast transition during RIF. Key receptors in these two pathways have been shown to be modified by fucosyltransferase 8 (FUT8), the enzyme that catalyzes core fucosylation. This study postulated that core fucosylation might play an important role in regulating the pericyte transition in RIF. The data showed that core fucosylation increased with the extent of RIF in patients with IgA nephropathy (IgAN). Similarly, core fucosylation of pericytes increased in both a unilateral ureteral occlusion (UUO) mouse model and an in vitro model of pericyte transition. Inhibition of core fucosylation by adenoviral-mediated FUT8 shRNA in vivo and FUT8 siRNA in vitro significantly reduced pericyte transition and RIF. In addition, the activation of both the TGF-β/Smad and PDGF/ERK pathways was blocked by core fucosylation inhibition. In conclusion, core fucosylation may regulate the pericyte transition in RIF by modifying both the TGF-β/Smad and PDGF/ERK pathways. Glycosylation might be a novel “hub” target to prevent RIF.
Association between nonspecific interstitial pneumonia and presence of CD20+ B lymphocytes within pulmonary lymphoid follicles
Authors: Peng Min , Wang Wenze , Qin Ling , Liu Hongrui , Qin Mingwei , Zheng Wenjie , Shi JuHong , Xu Wenbing , Zhu Yuanjue
Published: November 2017

Nonspecific interstitial pneumonia (NSIP) is characterised by interstitial infiltration of lymphocytes and varying amounts of interstitial fibrosis. B cells have been suggested to contribute to the pathogenesis of NSIP. However, the relationship between B-lymphocyte and the clinical outcomes of NSIP was unclear. In this study, 50 patients with histopathologically confirmed NSIP from Peking Union Medical College Hospital between April 2003 to December 2012 were retrospectively analyzed. Using immunohistochemical analyses, CD20+ B cells were counted in the lymphoid follicles, perivascular, interstitial, and peribronchiolar regions of lung tissure. The CD20+ lymphocytes were mainly present in the lymphoid follicles. The number of follicular CD20+ lymphocytes was higher in the fibrosing than cellular NSIP pattern [255.08 (132.92–449.71) vs. 121.33 (63.54–282.88)/0.1 mm2, p = 0.017]. After 1 year of therapy, the follicular CD20+ lymphocytes were significantly higher in patients whose forced vital capacity (FVC) worsened as compared to those who improved (p = 0.014). Additionally, follicular CD20+ lymphocytes were negatively correlated with the post-treatment percentage change in FVC (rho = −0.397, p = 0.004). However, follicular CD20+ lymphocytes were not correlated with survival. These results suggested that pulmonary follicular CD20+ lymphocytes were correlated with the fibrosing pattern of NSIP and predicted less clinical improvement after treatment.
Robust method for identification of prognostic gene signatures from gene expression profiles
Authors: Sim Woogwang , Lee Jungsul , Choi Chulhee
Published: November 2017

In the last decade, many attempts have been made to use gene expression profiles to identify prognostic genes for various types of cancer. Previous studies evaluating the prognostic value of genes suffered by failing to solve the critical problem of classifying patients into different risk groups based on specific gene expression threshold levels. Here, we present a novel method, called iterative patient partitioning (IPP), which was inspired by the receiver operating characteristic (ROC) curve, is based on the log-rank test and overcomes the threshold decision problem. We applied IPP to analyze datasets pertaining to various subtypes of breast cancer. Using IPP, we discovered both novel and well-studied prognostic genes related to cell cycle/proliferation or the immune response. The novel genes were further analyzed using copy-number alteration and mutation data, and these results supported their relationship with prognosis.
Effect of different organic fertilizers application on growth and environmental risk of nitrate under a vegetable field
Authors: Li Shuyan , Li Jijin , Zhang Bangxi , Li Danyang , Li Guoxue , Li Yangyang
Published: November 2017

The effect of chicken manure after different disposal methods (water-logged composting, GOF; anaerobic digestion, BR; thermophilic composting, ROF) on vegetable growth and environmental risk was investigated under the tomato-celery-tomato field. Results showed that organic fertilizers significantly increased vegetable yield and quality, but with inappropriate application may cause serious environmental risk such as nitrate pollution. Maximum vegetable yield of 80.9, 68.3, 112.7 t·ha−1 (first, second and third rotation crop, respectively) with best vegetable quality was obtained in ROF treatment. The highest N use efficiency with the least nitrate enrichment in soil was also found in ROF treatment. Moreover, under this fertilization way, nitrate concentration in soil leachate dropped to 6.4 mg·L−1, which satisfied the threshold (<10 mg·L−1) for drinking water set by the US Environmental Protection Agency. Thus, ROF was suggested to be the optimal fertilizer with the best yield, quality and the least environmental risk under the “tomato-celery” rotation system.
Fabrication and characterization of reversible thermochromic wood veneers
Authors: Zhu Xiaodong , Liu Yu , Dong Ningwen , Li Zhao
Published: November 2017

Leuco dyes are widely used as functional materials for their thermosensitive chromogenic nature. The influences of thermochromic compounds and impregnation processing conditions on thermochromic wood veneer properties were investigated in this paper. The thermochromic compounds included thermochromic dye (ODB-2), color developer (bisphenol A) and solvent (1-tetradecanol). To achieve the maximum color change, the optimum mixing ratio of ODB-2 to bisphenol A to 1-tetradecanol was 1:2:60. Juglans mandshurica veneers were ultrasonically impregnated with reversible thermochromic compound suspensions. Analysis of variance showed that the influences of impregnation parameters on veneer color change were significant at the 0.05 level. The optimum thermochromic wood veneer can be obtained by impregnating with a thermochromic compound suspension for 2.0 min at 65 °C. In this paper, the thermochromic properties of wood veneers were evaluated, and functional thermochromic veneers exhibited excellent properties and thermostability.
The orientation and stability of the GPCR-Arrestin complex in a lipid bilayer
Authors: Wang Dali , Yu Hua , Liu Xiangdong , Liu Jianqiang , Song Chen
Published: November 2017

G protein-coupled receptors (GPCRs) constitute a large family of membrane proteins that plays a key role in transmembrane signal transduction and draw wide attention since it was discovered. Arrestin is a small family of proteins which can bind to GPCRs, block G protein interactions and redirect signaling to G-protein-independent pathways. The detailed mechanism of how arrestin interacts with GPCR remains elusive. Here, we conducted molecular dynamics simulations with coarse-grained (CG) and all-atom (AA) models to study the complex structure formed by arrestin and rhodopsin, a prototypical GPCR, in a POPC bilayer. Our results indicate that the formation of the complex has a significant impact on arrestin which is tightly anchored onto the bilayer surface, while has a minor effect on the orientation of rhodopsin in the lipid bilayer. The formation of the complex induces an internal change of conformation and flexibility in both rhodopsin and arrestin, mainly at the binding interface. Further investigation on the interaction interface identified the hydrogen bond network, especially the long-lived hydrogen bonds, and the key residues at the contact interface, which are responsible for stabilizing the complex. These results help us to better understand how rhodopsin interacts with arrestin on membranes, and thereby shed lights on arrestin-mediated signal transduction through GPCRs.
Inhibitory effects of curcumin and cyclocurcumin in 1-methyl-4-phenylpyridinium (MPP+) induced neurotoxicity in differentiated PC12 cells
Authors: Chakraborty Sandeep , Karmenyan Artashes , Tsai Jin-Wu , Chiou Arthur
Published: November 2017

Development and progression of neurodegenerative diseases like Parkinson’s disease (PD) involve multiple pathways. Thus, effective therapeutic treatments should intervene to address all these pathways simultaneously for greater success. Most of the current pharmacotherapeutic approaches just supplement striatal dopamine. Hence, natural extracts of plants with therapeutic potential have been explored. Curcuminoids belong to one such group of polyphenol which show immense therapeutic effects. Here, we have used intracellular reactive oxygen species (ROS) measurement, and two-photon fluorescence lifetime imaging microscopy (2P-FLIM) of cellular autofluorescent co-enzyme reduced nicotinamide adenine dinucleotide (NADH) to study the inhibitory effects of curcumin and cyclocurcumin in alleviating PD like neurotoxicity of 1-methyl-4-phenylpyridinium (MPP+) in neuronal growth factor (NGF) induced differentiated PC12 cells. Our results showed that both cyclocurcumin and curcumin reduced the level of ROS caused by MPP+ treatment. Moreover, a significant increase in the free, protein-bound, and average NADH fluorescence lifetimes along with a decrease in the relative contribution of free- vs. protein-bound NADH components in curcuminoids treated cells (pretreated with MPP+) were observed compared with those treated with MPP+ only. This study, which indicates that cyclocurcumin offers higher neuronal protection than curcumin, may initiate further studies of these compounds in the cure of neurodegenerative diseases.
Na+ entry through heteromeric TRPC4/C1 channels mediates (−)Englerin A-induced cytotoxicity in synovial sarcoma cells
Authors: Muraki Katsuhiko , Ohnishi Kaori , Takezawa Akiho , Suzuki Hiroka , Hatano Noriyuki , Muraki Yukiko , Hamzah Nurasyikin , Foster Richard , Waldmann Herbert , Nussbaumer Peter , Christmann Mathias , Bon Robin S. , Beech David J.
Published: November 2017

The sesquiterpene (−)Englerin A (EA) is an organic compound from the plant Phyllanthus engleri which acts via heteromeric TRPC4/C1 channels to cause cytotoxicity in some types of cancer cell but not normal cells. Here we identified selective cytotoxicity of EA in human synovial sarcoma cells (SW982 cells) and investigated the mechanism. EA induced cation channel current (Icat) in SW982 cells with biophysical characteristics of heteromeric TRPC4/C1 channels. Inhibitors of homomeric TRPC4 channels were weak inhibitors of the Icat and EA-induced cytotoxicity whereas a potent inhibitor of TRPC4/C1 channels (Pico145) strongly inhibited Icat and cytotoxicity. Depletion of TRPC1 converted Icat into a current with biophysical and pharmacological properties of homomeric TRPC4 channels and depletion of TRPC1 or TRPC4 suppressed the cytotoxicity of EA. A Na+/K+-ATPase inhibitor (ouabain) potentiated EA-induced cytotoxicity and direct Na+ loading by gramicidin-A caused Pico145-resistant cytotoxicity in the absence of EA. We conclude that EA has a potent cytotoxic effect on human synovial sarcoma cells which is mediated by heteromeric TRPC4/C1 channels and Na+ loading.
Possible function of the second RecJ-like protein in stalled replication fork repair by interacting with Hef
Authors: Nagata Mariko , Ishino Sonoko , Yamagami Takeshi , Simons Jan-Robert , Kanai Tamotsu , Atomi Haruyuki , Ishino Yoshizumi
Published: November 2017

RecJ was originally identified in Escherichia coli and plays an important role in the DNA repair and recombination pathways. Thermococcus kodakarensis, a hyperthermophilic archaeon, has two RecJ-like nucleases. These proteins are designated as GAN (GINS-associated nuclease) and HAN (Hef-associated nuclease), based on the protein they interact with. GAN is probably a counterpart of Cdc45 in the eukaryotic CMG replicative helicase complex. HAN is considered mainly to function with Hef for restoration of the stalled replication fork. In this study, we characterized HAN to clarify its functions in Thermococcus cells. HAN showed single-strand specific 3′ to 5′ exonuclease activity, which was stimulated in the presence of Hef. A gene disruption analysis revealed that HAN was non-essential for viability, but the ΔganΔhan double mutant did not grow under optimal conditions at 85 °C. This deficiency was not fully recovered by introducing the mutant han gene, encoding the nuclease-deficient HAN protein, back into the genome. These results suggest that the unstable replicative helicase complex without GAN performs ineffective fork progression, and thus the stalled fork repair system including HAN becomes more important. The nuclease activity of HAN is required for the function of this protein in T. kodakarensis.
Functional and spatial segregation within the inferior frontal and superior temporal cortices during listening, articulation imagery, and production of vowels
Authors: Rampinini Alessandra Cecilia , Handjaras Giacomo , Leo Andrea , Cecchetti Luca , Ricciardi Emiliano , Marotta Giovanna , Pietrini Pietro
Published: November 2017

Classical models of language localize speech perception in the left superior temporal and production in the inferior frontal cortex. Nonetheless, neuropsychological, structural and functional studies have questioned such subdivision, suggesting an interwoven organization of the speech function within these cortices. We tested whether sub-regions within frontal and temporal speech-related areas retain specific phonological representations during both perception and production. Using functional magnetic resonance imaging and multivoxel pattern analysis, we showed functional and spatial segregation across the left fronto-temporal cortex during listening, imagery and production of vowels. In accordance with classical models of language and evidence from functional studies, the inferior frontal and superior temporal cortices discriminated among perceived and produced vowels respectively, also engaging in the non-classical, alternative function – i.e. perception in the inferior frontal and production in the superior temporal cortex. Crucially, though, contiguous and non-overlapping sub-regions within these hubs performed either the classical or non-classical function, the latter also representing non-linguistic sounds (i.e., pure tones). Extending previous results and in line with integration theories, our findings not only demonstrate that sensitivity to speech listening exists in production-related regions and vice versa, but they also suggest that the nature of such interwoven organisation is built upon low-level perception.
Interaction of Complement Defence Collagens C1q and Mannose-Binding Lectin with BMP-1/Tolloid-like Proteinases
Authors: Lacroix Monique , Tessier Agnès , Dumestre-Pérard Chantal , Vadon-Le Goff Sandrine , Gout Evelyne , Bruckner-Tuderman Leena , Kiritsi Dimitra , Nyström Alexander , Ricard-Blum Sylvie , Moali Catherine , Hulmes David J. S. , Thielens Nicole M.
Published: November 2017

The defence collagens C1q and mannose-binding lectin (MBL) are immune recognition proteins that associate with the serine proteinases C1r/C1s and MBL-associated serine proteases (MASPs) to trigger activation of complement, a major innate immune system. Bone morphogenetic protein-1 (BMP-1)/tolloid-like proteinases (BTPs) are metalloproteinases with major roles in extracellular matrix assembly and growth factor signalling. Despite their different functions, C1r/C1s/MASPs and BTPs share structural similarities, including a specific CUB-EGF-CUB domain arrangement found only in these enzymes that mediates interactions with collagen-like proteins, suggesting a possible functional relationship. Here we investigated the potential interactions between the defence collagens C1q and MBL and the BTPs BMP-1 and mammalian tolloid-like-1 (mTLL-1). C1q and MBL bound to immobilized BMP-1 and mTLL-1 with nanomolar affinities. These interactions involved the collagen-like regions of the defence collagens and were inhibited by pre-incubation of C1q or MBL with their cognate complement proteinases. Soluble BMP-1 and mTLL-1 did not inhibit complement activation and the defence collagens were neither substrates nor inhibitors of BMP-1. Finally, C1q co-localized with BMP-1 in skin biopsies following melanoma excision and from patients with recessive dystrophic epidermolysis bullosa. The observed interactions provide support for a functional link between complement and BTPs during inflammation and tissue repair.
A potentiometric immunosensor for enterovirus 71 based on bis-MPA-COOH dendrimer-doped AgCl nanospheres with a silver ion-selective electrode
Authors: Sun Ai-Li
Published: November 2017

Herein a new potentiometric immunoassay for the point-of-care detection of enterovirus 71 (EV71) was developed by using a silver (Ag+) ion-selective electrode (ISE).
A polymyxin B–silver nanoparticle colloidal system and the application of lipopolysaccharide analysis
Authors: Liu Tao , Gao Liqian , Zhao Jing , Cao Ya , Tang Yuguo , Miao Peng
Published: November 2017

The association constant between polymyxin B and silver nanoparticles is found to be extremely high. Thus, we have exploited the colloidal system as a universal analytical platform.
Pure white light emission and charge transfer in organogels of symmetrical and unsymmetrical π-chromophoric oligo-p-(phenyleneethynylene) bola-amphiphiles
Authors: Roy Syamantak , Samanta Debabrata , Kumar Pramod , Maji Tapas Kumar
Published: November 2017

The gelation behavior of two novel π-chromophoric bola-amphiphiles has been studied and solution processable pure white light emitting and CT gels have been realized.
Nitrogen-doped graphene quantum dots coupled with photosensitizers for one-/two-photon activated photodynamic therapy based on a FRET mechanism
Authors: Sun Jiaheng , Xin Qi , Yang Yang , Shah Hameed , Cao Hongqian , Qi Yanfei , Gong Jian Ru , Li Junbai
Published: November 2017

Photosensitizers can be excited by nitrogen-doped graphene quantum dots under one-/two-photon excitation through an intramolecular FRET mechanism and induced phototoxicity.
Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors
Authors: Reig Marta , Puigdollers Joaquim , Velasco Dolores
Published: November 2017

n-Type OTFTs were fabricated and characterised from a series of tricyanovinyl-substituted carbazole-based materials with different N-alkyl chain lengths as active layers. XRD studies gave insights into the main intermolecular interactions, molecular packing motifs and the degree of molecular order in thin films that justified the performance of the devices.
Exploring the solid state phase transition in dl-norvaline with terahertz spectroscopy
Authors: Neu Jens , Nemes Coleen T. , Regan Kevin P. , Williams Michael R. C. , Schmuttenmaer Charles A.
Published: November 2017

Experimental and theoretical demonstration of the power of terahertz spectroscopy to provide novel insights into solid-state phase-transformations in organic materials.
Correlating geminal 2JSi–O–Si couplings to structure in framework silicates
Authors: Srivastava D. J. , Florian P. , Baltisberger J. H. , Grandinetti P. J.
Published: November 2017

The dependence of a 29Si geminal J coupling across the inter-tetrahedral linkage on local structure was examined using first-principles DFT calculations.
Mixed ether-based solvents provide a long cycle life with high rate capability to graphite anodes for Na-ion batteries
Authors: Kajita Tetsuya , Itoh Takashi
Published: November 2017

Mixed ether-based solvents can provide the coexistence of a long cycle life and high rate capability, in graphite anodes for sodium-ion batteries.
Fate of endocrine disruptor compounds in an anaerobic membrane bioreactor (AnMBR) coupled to an activated sludge reactor
Authors: Abargues M. R. , Ferrer J. , Bouzas A. , Seco A.
Published: November 2017

The occurrence and fate of three groups of micropollutants – alkylphenols, pentachlorophenol and hormones – were studied in a pilot plant consisting of an anaerobic membrane bioreactor (AnMBR) coupled to an activated sludge reactor (University of Cape Town configuration – UCT).
An odyssey of process and engineering trends in forward osmosis
Authors: Sreedhar I. , Khaitan Sneha , Gupta Rajat , Reddy Benjaram M. , Venugopal A.
Published: November 2017

Forward osmosis as a water treatment option has been extensively studied in recent decades owing to its energy efficiency and enhanced performance.
Synthesis and characterization of isocyanate-free polyureas
Authors: Dennis Joseph M. , Steinberg Limor I. , Pekkanen Allison M. , Maiz Jon , Hegde Maruti , Müller Alejandro J. , Long Timothy E.
Published: November 2017

Due to continued health and safety concerns surrounding isocyanates, alternative synthetic routes to obtain urea-containing polymers is gaining much attention.
Fluorescence-activated droplet sorting of lipolytic microorganisms using a compact optical system
Authors: Qiao Yuxin , Zhao Xiaoyan , Zhu Jun , Tu Ran , Dong Libing , Wang Li , Dong Zhiyang , Wang Qinhong , Du Wenbin
Published: November 2017

Lipases are ubiquitous enzymes of great physiological significance that have been used extensively in multiple industries.
Photoredox catalysed synthesis of amino alcohol
Authors: Srivastava Vishal , Singh Pravin K. , Kanaujia Sudhanshu , Singh Praveen P.
Published: November 2017

A mild and efficient one-pot visible light-induced method has been developed for the synthesis of amino alcohols.
Silver-catalyzed synthesis of pyrrolopiperazine fused with oxazine/imidazole via a domino approach: evaluation of anti-cancer activity
Authors: Shiva Kumar K. , Kumar N. Praveen , Rajesham Bandari , Kishan Gugulothu , Akula Sravani , Kancha Rama Krishna
Published: November 2017

Ag-Catalyzed synthesis of pyrrolopiperazine fused with oxazine/imidazole by the reaction of δ-alkynyl aldehydes and nucleophilic amines was performed. Several of these compounds were found to exhibit anti-cancer activity against cancer cell lines.
SnCl2-catalyzed synthesis of dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline and dihydroindeno[2,1-b]pyrazolo[4,3-e]pyridine with high fluorescence and their photophysical properties
Authors: Manickam Saravanakumar , Balijapalli Umamahesh , Sathiyanarayanan Kulathu Iyer
Published: November 2017

A series of pyrazoloquinoline and pyrazolopyridine based derivatives bearing donor–acceptor (D–A) substituent groups on the phenyl ring, was synthesized by a mild reaction condition.
Complexation thermodynamics of tetraalkyl diglycolamides with trivalent f-elements in ionic liquids: spectroscopic, microcalorimetric and computational studies
Authors: Ansari Seraj A. , Mohapatra Prasanta K. , Musharaf Ali Sk. , Rawat Neetika , Tomar Bhupinder S. , Leoncini Andrea , Huskens Jurriaan , Verboom Willem
Published: November 2017

The thermodynamics of lanthanide complexation with DGA ligands was studied in an ionic liquid.
Gold-catalyzed preparation of annelated 2-azetidinonesviadivergent heterocyclization of enyne-tethered oxazolidines
Authors: Alcaide Benito , Almendros Pedro , Martínez del Campo Teresa , Naranjo Teresa
Published: November 2017

The divergent and selective syntheses of two types of annelated β-lactams, namely, furan- and tetrahydropyridine-fused 2-azetidinones, have been accomplished directly from 2-azetidinone-tethered oxazolidine-enynes through gold catalysis.
Visible-light-induced tandem phosphorylation cyclization of vinyl azides under mild conditions
Authors: Li Yonghong , Zhu Yuanyuan , Yang Shang-Dong
Published: November 2017

This method provides a visible-light-induced radical tandem cyclization for the synthesis of phosphorus phenanthridines with various nitrogen-containing substrates.
Silica film deposited on diamond-structured polymer microlattices by dip coating
Authors: Wei Fang , Zhou Yongfeng , Yang Qinglin , Guo Lin , Jiang Lei
Published: November 2017

Polymer microlattices with diamond structures were fabricated by 3D printing. The silica materials were covered on the polymer microlattices by using the dip-coating method.
MoS2 quantum dots featured fluorescent biosensor for multiple detection of cancer
Authors: Liu Yuhong , Zhang Jinzha , Shen Yang , Yan Jinduo , Hou Zaiying , Mao Chun , Zhao Wenbo
Published: November 2017

A novel MoS2 quantum dot-based fluorescent biosensor is exploited to trace and visualize mucin 1-overexpression cancer cells.
In situ coupling of Ti2O with rutile TiO2 as a core–shell structure and its photocatalysis performance
Authors: Wang Qingjie , Fan Jiajie , Zhang Shilin , Yun Yifan , Zhang Jinhua , Zhang Peng , Hu Junhua , Wang Lijie , Shao Guosheng
Published: November 2017

The bimodal oxidation behavior of TiH2 generates a core–shell structure. The formation of Ti2O promotes visible-light response.
Effects of dietary oxidized tyrosine products on insulin secretion via the thyroid hormone T3-regulated TRβ1–Akt–mTOR pathway in the pancreas
Authors: Ding Yin-Yi , Tang Xue , Cheng Xiang-Rong , Wang Fang-Fang , Li Zhu-Qing , Wu Sha-Ji , Kou Xing-Ran , Shi Yonghui , Le Guowei
Published: November 2017

Oxidized tyrosine products (OTPs) have been detected in commercial foods with high protein content.
Oat bran β-glucan improves glucose homeostasis in mice fed on a high-fat diet
Authors: Cheng Yuliang , Zhang Jie , Luo Kaiyun , Zhang Genyi
Published: November 2017

The changes of body weight (A) and food intake (B) of mice fed on different diets of low-fat (LF), high-fat (HF), HF + grain form β-glucan (HFGF), and HF + extracted β-glucan (HFEX).
Chemically specific coarse-grained models to investigate the structure of biomimetic membranes
Authors: Kowalik Małgorzata , Schantz Allen B. , Naqi Abdullah , Shen Yuexiao , Sines Ian , Maranas Janna K. , Kumar Manish
Published: November 2017

Biomimetic polymer/protein membranes are promising materials for DNA sequencing, sensors, drug delivery and water purification.
Electrospun polyacrylonitrile nanofiber mat protected membranes for vanadium flow batteries
Authors: Yu Lihong , Lin Feng , Xu Ling , Xi Jingyu
Published: November 2017

The cycling stability of the SPEEK membrane in vanadium flow batteries is remarkably improved by using a PAN nanofiber mat as a protection layer.
Left- and right-circularly polarized light-sensing based on colored and mechano-responsive chiral nematic liquid crystals
Authors: Yoshida Jun , Tamura Shuhei , Yuge Hidetaka , Watanabe Go
Published: November 2017

A liquid crystal host–guest system composed of achiral organic molecules (host) and colored chiral metal complexes (guest) was fabricated to sense both right- and left-handed circularly polarized light (r- and l-CPL), depending on the guest (dopant) concentration.
The role of anions in adsorbate-induced anchoring transitions of liquid crystals on surfaces with discrete cation binding sites
Authors: Szilvási Tibor , Bao Nanqi , Yu Huaizhe , Twieg Robert J. , Mavrikakis Manos , Abbott Nicholas L.
Published: November 2017

A universal exponential relationship is found between calculated displacement free energies and adsorbate-induced dynamic responses of liquid crystals for a range of metal salts. Nitrate anions provide fast response times.
Insights into the increased degradation rate of CH3NH3PbI3 solar cells in combined water and O2 environments
Authors: Aristidou Nick , Eames Christopher , Islam M. Saiful , Haque Saif A.
Published: November 2017

Halide perovskites offer low cost and high efficiency solar cell materials but serious issues related to air and moisture stability remain.
Underoil superhydrophilic desert sand layer for efficient gravity-directed water-in-oil emulsions separation with high flux
Authors: Li Jian , Xu Changcheng , Guo Changqing , Tian Haifeng , Zha Fei , Guo Lin
Published: November 2017

Under-oil superhydrophilic desert sand layer was used for efficient gravity-directed water-in-oil emulsions separation with high flux.
Co-delivery of PLK1-specific shRNA and doxorubicin via core-crosslinked pH-sensitive and redox ultra-sensitive micelles for glioma therapy
Authors: Wang Pu , Yu Nengwei , Wang Yi , Sun Huili , Yang Zhenglin , Zhou Shaobing
Published: November 2017

Anticancer drug delivery encounters many biological barriers, including mucosal barriers, nonspecific uptake and intracellular drug resistance.
MEMS analogous micro-patterning of thermotropic nematic liquid crystalline elastomer films using a fluorinated photoresist and a hard mask process
Authors: Ditter David , Chen Wei-Liang , Best Andreas , Zappe Hans , Koynov Kaloian , Ober Christopher K. , Zentel Rudolf
Published: November 2017

LCE films can be patterned in the micrometer range with standard MEMS techniques.
Enhancing the performance of a fused-ring electron acceptor via extending benzene to naphthalene
Authors: Zhu Jingshuai , Wu Yang , Rech Jeromy , Wang Jiayu , Liu Kuan , Li Tengfei , Lin Yuze , Ma Wei , You Wei , Zhan Xiaowei
Published: November 2017

We compared an indacenodithiophene-based fused-ring electron acceptor IDIC1 with its counterpart IHIC1 in which the central benzene unit is replaced by a naphthalene unit, and investigated the core effects.
Sauber und gründlich
Authors: Bürkert Susanne S.
Published: November 2017

Die Colon-Hydro-Therapie (CHT) ist eine saubere und geruchsfreie Art der Darmspülung. Ziel ist es, eine Regeneration des Darms auf natürliche Weise zu erreichen, indem Kotreste und Giftstoffe aus dem Darm gespült werden. Mithilfe der CHT, einer Ernährungsumstellung, der Substitution von Mikronährstoffen und Probiotika kann sich der Darm erholen und regenerieren.
Mikrovaskuläre Kehlkopfrekonstruktion nach totaler Laryngektomie
Authors: Hackenberg Stephan , Kleinsasser Norbert , Scherzad Agmal , Kraus Fabian , Hagen Rudolf
Published: November 2017

Die totale Laryngektomie stellt nach wie vor ein Standardverfahren zur Therapie fortgeschrittener Larynx- und Hypopharynxkarzinome dar. Der
Verlust des stimmbildenden Organs schränkt die Lebensqualität der Betroffenen maßgeblich ein. Die am häufigsten eingesetzte Technik zur
Stimmrehabilitation ist die tracheoösophageale Punktion mit Einsatz eines Stimmventils. Zu den chirurgischen Verfahren der
Stimmrehabilitation gehört unter anderem die Larynxrekonstruktion mit einem Unterarmlappen. Im Rahmen dieser monozentrischen retrospektiven
Analyse wurden Patienten betrachtet, die zwischen 2006 und 2015 nach totaler Laryngektomie mit einer solchen sogenannten Laryngoplastik
versorgt wurden. Fokus der Untersuchung lag auf der Beurteilung von funktionellen Langzeitergebnissen und Komplikationen. Insgesamt konnten
39 Patienten in die Studie eingeschlossen werden, von denen bei 77 % eine dauerhafte Phonation über das Transplantat möglich war, bei 62 %
sogar fingerfrei. Nach Ausschluss adjuvant bestrahlter Patienten lag die Rate der erfolgreichen Stimmrehabilitation bei 91 % (20 / 22). Das
postoperative Halshämatom war mit 15 % die häufigste Frühkomplikation, Lappennekrosen traten nicht auf. Die häufigste Spätkomplikation war
die Stenosierung des Laryngoplastiklumens, welche in der Regel als Folge einer Radiatio auftrat. Im Vergleich zu Daten aus der Literatur ist
die Rate erfolgreich stimmrehabilitierter Patienten annähernd gleichwertig zur Versorgung mit einem Stimmventil, allerdings mit qualitativ
besseren Ergebnissen. Komplikationen, die durch das Stimmventil bedingt sind und in seltenen Fällen schwerwiegend sein können, treten bei
Laryngoplastikpatienten nicht auf. Die lebenslange Notwendigkeit zum regelmäßigen Stimmventilwechsel entfällt. Bei korrekter
Indikationsstellung ist die Laryngoplastik eine suffiziente Methode zur Stimmrehabilitation nach Laryngektomie.
A sensor for vector electric field measurements through a nonlinear anisotropic optical crystal
Authors: Barbieri Luca , Gondola Marco , Potenza Marco , Villa Andrea , Malgesini Roberto
Published: November 2017

Electrical applications require the development of electric field sensors that can reproduce vector electric field waveforms with a very large spectral width ranging from 50 Hz to at least 70 MHz. This makes it possible to measure both the normal operation modes of electrical components and abnormal behaviors such as the corona emission and partial discharges. In this work, we aim to develop a fully dielectric sensor capable of measuring two components of the electric field using a wide class of optical crystals including anisotropic ones, whereas most of the efforts in this field have been devoted to isotropic crystals. We report the results of the measurements performed at 50 Hz and with a lightning impulse, to validate the sensor.
On modeling the large strain fracture behaviour of soft viscous foods
Authors: Skamniotis C. G. , Elliott M. , Charalambides M. N.
Published: November 2017

Mastication is responsible for food breakdown with the aid of saliva in order to form a cohesive viscous mass, known as the bolus. This influences the rate at which the ingested food nutrients are later absorbed into the body, which needs to be controlled to aid in epidemic health problems such as obesity, diabetes, and dyspepsia. The aim of our work is to understand and improve food oral breakdown efficiency in both human and pet foods through developing multi-scale models of oral and gastric processing. The latter has been a challenging task and the available technology may be still immature, as foods usually exhibit a complex viscous, compliant, and tough mechanical behaviour. These are all addressed here through establishing a novel material model calibrated through experiments on starch-based food. It includes a new criterion for the onset of material stiffness degradation, a law for the evolution of degradation governed by the true material’s fracture toughness, and a constitutive stress-strain response, all three being a function of the stress state, i.e., compression, shear, and tension. The material model is used in a finite element analysis which reproduces accurately the food separation patterns under a large strain indentation test, which resembles the boundary conditions applied in chewing. The results lend weight to the new methodology as a powerful tool in understanding how different food structures breakdown and in optimising these structures via parametric analyses to satisfy specific chewing and digestion attributes.
Short-range second order screened exchange correction to RPA correlation energies
Authors: Beuerle Matthias , Ochsenfeld Christian
Published: November 2017

Direct random phase approximation (RPA) correlation energies have become increasingly popular as a post-Kohn-Sham correction, due to significant improvements over DFT calculations for properties such as long-range dispersion effects, which are problematic in conventional density functional theory. On the other hand, RPA still has various weaknesses, such as unsatisfactory results for non-isogyric processes. This can in parts be attributed to the self-correlation present in RPA correlation energies, leading to significant self-interaction errors. Therefore a variety of schemes have been devised to include exchange in the calculation of RPA correlation energies in order to correct this shortcoming. One of the most popular RPA plus exchange schemes is the second order screened exchange (SOSEX) correction. RPA + SOSEX delivers more accurate absolute correlation energies and also improves upon RPA for non-isogyric processes. On the other hand, RPA + SOSEX barrier heights are worse than those obtained from plain RPA calculations. To combine the benefits of RPA correlation energies and the SOSEX correction, we introduce a short-range RPA + SOSEX correction. Proof of concept calculations and benchmarks showing the advantages of our method are presented.
The mechanism of layer number and strain dependent bandgap of 2D crystal PtSe2
Authors: Zhang Wenxu , Qin Jiantao , Huang Zhishuo , Zhang Wanli
Published: November 2017

Besides its promising high electron mobilities at room temperature, PtSe2 has a finite bandgap sensitively dependent on the number of monolayers combined by the van der Waals interaction according to our calculations based on the density functional theory. It was found that the frontier orbitals of the valence band maximum and the conduction band minimum are mainly contributed by pz and px+y orbitals of Se, which are sensitive to the out-of-plane and the in-plane lattice constants, respectively. The van der Waals force enhances the bonding out-of-plane, which in turn influences the bonding in-plane. We explain that the layer number dependent bandgap has the same electronic reason as the strain dependent bandgap based on the scenario above. This work shows the flexibilities of tuning the electronic and optical properties of PtSe2 in a wide range, which provides an advantage for applications of PtSe2 in sensors.
Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing
Authors: Maitra Rahul , Nakajima Takahito
Published: November 2017

We present an accurate single reference coupled cluster theory in which the conventional Fock operator matrix is suitably dressed to simulate the effect of triple and higher excitations within a singles and doubles framework. The dressing thus invoked originates from a second-order perturbative approximation of a similarity transformed Hamiltonian and induces higher rank excitations through local renormalization of individual occupied and unoccupied orbital lines. Such a dressing is able to recover a significant amount of correlation effects beyond singles and doubles approximation, but only with an economic n5 additional cost. Due to the inclusion of higher rank excitations via the Fock matrix dressing, this method is a natural improvement over conventional coupled cluster theory with singles and doubles approximation, and this method would be demonstrated via applications on some challenging systems. This highly promising scheme has a conceptually simple structure which is also easily generalizable to a multi-reference coupled cluster scheme for treating strong degeneracy. We shall demonstrate that this method is a natural lowest order perturbative approximation to the recently developed iterative n-body excitation inclusive coupled cluster singles and doubles scheme [R. Maitra et al., J. Chem. Phys. 147, 074103 (2017)].