bluuebunny/crossref_metadata_2025 huggingface dataset:
Perturbed CD8+ T cell TIGIT/CD226/PVR axis despite early initiation of antiretroviral treatment in HIV infected individuals
Authors: Tauriainen Johanna , Scharf Lydia , Frederiksen Juliet , Naji Ali , Ljunggren Hans-Gustaf , Sönnerborg Anders , Lund Ole , Reyes-Terán Gustavo , Hecht Frederick M. , Deeks Steven G. , Betts Michael R. , Buggert Marcus , Karlsson Annika C.
Published: January 2017

HIV-specific CD8+ T cells demonstrate an exhausted phenotype associated with increased expression of inhibitory receptors, decreased functional capacity, and a skewed transcriptional profile, which are only partially restored by antiretroviral treatment (ART). Expression levels of the inhibitory receptor, T cell immunoglobulin and ITIM domain (TIGIT), the co-stimulatory receptor CD226 and their ligand PVR are altered in viral infections and cancer. However, the extent to which the TIGIT/CD226/PVR-axis is affected by HIV-infection has not been characterized. Here, we report that TIGIT expression increased over time despite early initiation of ART. HIV-specific CD8+ T cells were almost exclusively TIGIT+, had an inverse expression of the transcription factors T-bet and Eomes and co-expressed PD-1, CD160 and 2B4. HIV-specific TIGIThi cells were negatively correlated with polyfunctionality and displayed a diminished expression of CD226. Furthermore, expression of PVR was increased on CD4+ T cells, especially T follicular helper (Tfh) cells, in HIV-infected lymph nodes. These results depict a skewing of the TIGIT/CD226 axis from CD226 co-stimulation towards TIGIT-mediated inhibition of CD8+ T cells, despite early ART. These findings highlight the importance of the TIGIT/CD226/PVR axis as an immune checkpoint barrier that could hinder future “cure” strategies requiring potent HIV-specific CD8+ T cells.
Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis
Authors: Sviridova Ekaterina , Rezacova Pavlina , Bondar Alexey , Veverka Vaclav , Novak Petr , Schenk Gundolf , Svergun Dmitri I. , Kuta Smatanova Ivana , Bumba Ladislav
Published: January 2017

The iron-regulated protein FrpD from Neisseria meningitidis is an outer membrane lipoprotein that interacts with very high affinity (Kd ~ 0.2 nM) with the N-terminal domain of FrpC, a Type I-secreted protein from the Repeat in ToXin (RTX) protein family. In the presence of Ca2+, FrpC undergoes Ca2+ -dependent protein trans-splicing that includes an autocatalytic cleavage of the Asp414-Pro415 peptide bond and formation of an Asp414-Lys isopeptide bond. Here, we report the high-resolution structure of FrpD and describe the structure-function relationships underlying the interaction between FrpD and FrpC1-414. We identified FrpD residues involved in FrpC1-414 binding, which enabled localization of FrpD within the low-resolution SAXS model of the FrpD-FrpC1-414 complex. Moreover, the trans-splicing activity of FrpC resulted in covalent linkage of the FrpC1-414 fragment to plasma membrane proteins of epithelial cells in vitro, suggesting that formation of the FrpD-FrpC1-414 complex may be involved in the interaction of meningococci with the host cell surface.
Shift of fleshy fruited species along elevation: temperature, canopy coverage, phylogeny and origin
Authors: Yu Shunli , Katz Ofir , Fang Weiwei , Li Danfeng , Sang Weiguo , Liu Canran
Published: January 2017

Plant communities differ in their fruit type spectra, especially in the proportions of fleshy and non-fleshy fruit types. However, which abiotic and biotic factors drive this variability along elevation gradient and what drives the evolution of fruit type diversity still are puzzling. We analyzed the variations in proportions and richness of fleshy-fruited species and their correlations to various abiotic and biotic variables along elevation gradients in three mountains in the Beijing region, northeast China. Fleshy-fruited species, which are characterized by high fruit water contents, were found in great proportion and richness at relatively low elevations, where soil water content is low compared to high elevations. High temperatures in low elevations increase water availability for plants. Plants that grow in the shaded low-elevation thick-canopy forests are less exposed to evapotranspiration and thus possess water surpluses that can be invested in fleshy fruits. Such an investment in fleshy fruits is beneficial for these species because it makes the fruits more attractive to frugivores that act as seed dispersers in the close-canopied environments, where dispersion by wind is less effective. A hypothesis is proposed that plant internal water surpluses are the prerequisite conditions that permit evolution of fleshy fruits to occur.
Electrophoresis of polar fluorescent tracers through the nerve sheath labels neuronal populations for anatomical and functional imaging
Authors: Isaacson Matthew D. , Hedwig Berthold
Published: January 2017

The delivery of tracers into populations of neurons is essential to visualize their anatomy and analyze their function. In some model systems genetically-targeted expression of fluorescent proteins is the method of choice; however, these genetic tools are not available for most organisms and alternative labeling methods are very limited. Here we describe a new method for neuronal labelling by electrophoretic dye delivery from a suction electrode directly through the neuronal sheath of nerves and ganglia in insects. Polar tracer molecules were delivered into the locust auditory nerve without destroying its function, simultaneously staining peripheral sensory structures and central axonal projections. Local neuron populations could be labelled directly through the surface of the brain, and in-vivo optical imaging of sound-evoked activity was achieved through the electrophoretic delivery of calcium indicators. The method provides a new tool for studying how stimuli are processed in peripheral and central sensory pathways and is a significant advance for the study of nervous systems in non-model organisms.
Increased Renal Clearance of Rocuronium Compensates for Chronic Loss of Bile Excretion, via upregulation of Oatp2
Authors: Wang Long , Zhou Mai-Tao , Chen Cai-Yang , Yin Wen , Wen Da-Xiang , Cheung Chi-Wai , Yang Li-Qun , Yu Wei-Feng
Published: January 2017

Requirement for rocuronium upon surgery changes only minimally in patients with end-stage liver diseases. Our study consisted of both human and rat studies to explore the reason. The reduction rate of rocuronium infusion required to maintain neuromuscular blockade during the anhepatic phase (relative to paleohepatic phase) was examined in 16 children with congenital biliary atresia receiving orthotopic liver transplantation. Pharmacodynamics and pharmacokinetics of rocuronium were studied based on BDL rats. The role of increased Oatp2 and decrease Oatp1 expressions in renal compensation were explored. The reduction of rocuronium requirements significantly decreased in obstructively jaundiced children (24 ± 9 vs. 39 ± 11%). TOF50 in BDL rats was increased by functional removal of the kidneys but not the liver, and the percentage of rocuronium excretion through urine increased (20.3 ± 6.9 vs. 8.6 ± 1.8%), while that decreased through bile in 28d-BDL compared with control group. However, this enhanced renal secretion for rocuronium was eliminated by Oatp2 knock-down, rather than Oatp1 overexpression (28-d BDL vs. Oatp1-ShRNA or Oatp2-ShRNA, 20.3 ± 6.9 vs. 17.0 ± 6.6 or 9.3 ± 3.2%). Upon chronic/sub-chronic loss of bile excretion, rocuronium clearance via the kidneys is enhanced, by Oatp2 up-regulation.
White to beige conversion in PDE3B KO adipose tissue through activation of AMPK signaling and mitochondrial function
Authors: Chung Youn Wook , Ahmad Faiyaz , Tang Yan , Hockman Steven C. , Kee Hyun Jung , Berger Karin , Guirguis Emilia , Choi Young Hun , Schimel Dan M. , Aponte Angel M. , Park Sunhee , Degerman Eva , Manganiello Vincent C.
Published: January 2017

Understanding mechanisms by which a population of beige adipocytes is increased in white adipose tissue (WAT) reflects a potential strategy in the fight against obesity and diabetes. Cyclic adenosine monophosphate (cAMP) is very important in the development of the beige phenotype and activation of its thermogenic program. To study effects of cyclic nucleotides on energy homeostatic mechanisms, mice were generated by targeted inactivation of cyclic nucleotide phosphodiesterase 3b (Pde3b) gene, which encodes PDE3B, an enzyme that catalyzes hydrolysis of cAMP and cGMP and is highly expressed in tissues that regulate energy homeostasis, including adipose tissue, liver, and pancreas. In epididymal white adipose tissue (eWAT) of PDE3B KO mice on a SvJ129 background, cAMP/protein kinase A (PKA) and AMP-activated protein kinase (AMPK) signaling pathways are activated, resulting in “browning” phenotype, with a smaller increases in body weight under high-fat diet, smaller fat deposits, increased β-oxidation of fatty acids (FAO) and oxygen consumption. Results reported here suggest that PDE3B and/or its downstream signaling partners might be important regulators of energy metabolism in adipose tissue, and potential therapeutic targets for treating obesity, diabetes and their associated metabolic disorders.
Altered Pathway Analyzer: A gene expression dataset analysis tool for identification and prioritization of differentially regulated and network rewired pathways
Authors: Kaushik Abhinav , Ali Shakir , Gupta Dinesh
Published: January 2017

Gene connection rewiring is an essential feature of gene network dynamics. Apart from its normal functional role, it may also lead to dysregulated functional states by disturbing pathway homeostasis. Very few computational tools measure rewiring within gene co-expression and its corresponding regulatory networks in order to identify and prioritize altered pathways which may or may not be differentially regulated. We have developed Altered Pathway Analyzer (APA), a microarray dataset analysis tool for identification and prioritization of altered pathways, including those which are differentially regulated by TFs, by quantifying rewired sub-network topology. Moreover, APA also helps in re-prioritization of APA shortlisted altered pathways enriched with context-specific genes. We performed APA analysis of simulated datasets and p53 status NCI-60 cell line microarray data to demonstrate potential of APA for identification of several case-specific altered pathways. APA analysis reveals several altered pathways not detected by other tools evaluated by us. APA analysis of unrelated prostate cancer datasets identifies sample-specific as well as conserved altered biological processes, mainly associated with lipid metabolism, cellular differentiation and proliferation. APA is designed as a cross platform tool which may be transparently customized to perform pathway analysis in different gene expression datasets. APA is freely available at http://bioinfo.icgeb.res.in/APA.
The short-term effects of air pollutants on respiratory disease mortality in Wuhan, China: comparison of time-series and case-crossover analyses
Authors: Ren Meng , Li Na , Wang Zhan , Liu Yisi , Chen Xi , Chu Yuanyuan , Li Xiangyu , Zhu Zhongmin , Tian Liqiao , Xiang Hao
Published: January 2017

Few studies have compared different methods when exploring the short-term effects of air pollutants on respiratory disease mortality in Wuhan, China. This study assesses the association between air pollutants and respiratory disease mortality with both time-series and time-stratified–case-crossover designs. The generalized additive model (GAM) and the conditional logistic regression model were used to assess the short-term effects of air pollutants on respiratory disease mortality. Stratified analyses were performed by age, sex, and diseases. A 10 μg/m3 increment in SO2 level was associated with an increase in relative risk for all respiratory disease mortality of 2.4% and 1.9% in the case-crossover and time-series analyses in single pollutant models, respectively. Strong evidence of an association between NO2 and daily respiratory disease mortality among men or people older than 65 years was found in the case-crossover study. There was a positive association between air pollutants and respiratory disease mortality in Wuhan, China. Both time-series and case-crossover analyses consistently reveal the association between three air pollutants and respiratory disease mortality. The estimates of association between air pollution and respiratory disease mortality from the case–crossover analysis displayed greater variation than that from the time-series analysis.
Genome-wide DNA methylation profile in mungbean
Authors: Kang Yang Jae , Bae Ahra , Shim Sangrea , Lee Taeyoung , Lee Jayern , Satyawan Dani , Kim Moon Young , Lee Suk-Ha
Published: January 2017

DNA methylation on cytosine residues is known to affect gene expression and is potentially responsible for the phenotypic variations among different crop cultivars. Here, we present the whole-genome DNA methylation profiles and assess the potential effects of single nucleotide polymorphisms (SNPs) for two mungbean cultivars, Sunhwanogdu (VC1973A) and Kyunggijaerae#5 (V2984). By measuring the DNA methylation levels in leaf tissue with the bisulfite sequencing (BSseq) approach, we show both the frequencies of the various types of DNA methylation and the distribution of weighted gene methylation levels. SNPs that cause nucleotide changes from/to CHH – where C is cytosine and H is any other nucleotide – were found to affect DNA methylation status in VC1973A and V2984. In order to better understand the correlation between gene expression and DNA methylation levels, we surveyed gene expression in leaf tissues of VC1973A and V2984 using RNAseq. Transcript expressions of paralogous genes were controlled by DNA methylation within the VC1973A genome. Moreover, genes that were differentially expressed between the two cultivars showed distinct DNA methylation patterns. Our mungbean genome-wide methylation profiles will be valuable resources for understanding the phenotypic variations between different cultivars, as well as for molecular breeding.
A Conditional Knockout Mouse Model Reveals a Critical Role of PKD1 in Osteoblast Differentiation and Bone Development
Authors: Li Shao , Xu Wanfu , Xing Zhe , Qian Jiabi , Chen Liping , Gu Ruonan , Guo Wenjing , Lai Xiaoju , Zhao Wanlu , Li Songyu , Wang Yaodong , Wang Q. Jane , Deng Fan
Published: January 2017

The protein kinase D family of serine/threonine kinases, particularly PKD1, has been implicated in the regulation of a complex array of fundamental biological processes. However, its function and mechanism underlying PKD1-mediated the bone development and osteoblast differentiation are not fully understood. Here we demonstrate that loss of PKD1 function led to impaired bone development and osteoblast differentiation through STAT3 and p38 MAPK signaling using in vitro and in vivo bone-specific conditional PKD1-knockout (PKD1-KO) mice models. These mice developed markedly craniofacial dysplasia, scapula dysplasia, long bone length shortage and body weight decrease compared with wild-type littermates. Moreover, deletion of PKD1 in vivo reduced trabecular development and activity of osteoblast development, confirmed by Micro-CT and histological staining as well as expression of osteoblastic marker (OPN, Runx2 and OSX). Mechanistically, loss of PKD1 mediated the downregulation of osteoblast markers and impaired osteoblast differentiation through STAT3 and p38 MAPK signaling pathways. Taken together, these results demonstrated that PKD1 contributes to the osteoblast differentiation and bone development via elevation of osteoblast markers through activation of STAT3 and p38 MAPK signaling pathways.
Common risk variants for colorectal cancer: an evaluation of associations with age at cancer onset
Authors: Song Nan , Shin Aesun , Park Ji Won , Kim Jeongseon , Oh Jae Hwan
Published: January 2017

Common genetic risk variants for colorectal cancer (CRC) have been identified at approximately 40 loci by genome-wide association studies (GWAS). We investigated the association of these risk variants by age at onset of CRC using case-only and case-control analysis. A total of 1,962 CRC cases and 2,668 controls from two independent case-control studies conducted by Korea’s National Cancer Center were included in this study. We genotyped 33 GWAS-identified single-nucleotide polymorphisms (SNPs) associated with CRC risk. The risk allele in SNP rs704017, located at 10q22.3 in the ZMIZ1-AS1 gene, was consistently less frequent among CRC patients aged <50 years than among CRC patients aged ≥50 years in the case-only analysis (odds ratio (OR) = 0.78, 95% confidence interval (CI) = 0.66–0.92, P = 2.7 × 10−3, in an additive model), although this did not surpass the threshold for multiple testing. The direction of associations between rs704017 and CRC risk differed by age group in the combined case-control analysis (<50 years: OR = 0.77, 95% CI = 0.60–0.98, P = 0.03 and ≥50 years: OR = 1.13, 95% CI = 0.98–1.29, P = 0.09, in a dominant model); the p-values for heterogeneity (Pheterogeneity = 7.5 × 10−3) and for interaction were statistically significant (Pinteraction = 7.8 × 10−3, in the dominant model). Our results suggest that the CRC susceptibility SNP rs704017 has a hereditary effect on onset age of CRC.
Impact and Origin of Interface States in MOS Capacitor with Monolayer MoS2 and HfO2 High-k Dielectric
Authors: Xia Pengkun , Feng Xuewei , Ng Rui Jie , Wang Shijie , Chi Dongzhi , Li Cequn , He Zhubing , Liu Xinke , Ang Kah-Wee
Published: January 2017

Two-dimensional layered semiconductors such as molybdenum disulfide (MoS2) at the quantum limit are promising material for nanoelectronics and optoelectronics applications. Understanding the interface properties between the atomically thin MoS2 channel and gate dielectric is fundamentally important for enhancing the carrier transport properties. Here, we investigate the frequency dispersion mechanism in a metal-oxide-semiconductor capacitor (MOSCAP) with a monolayer MoS2 and an ultra-thin HfO2 high-k gate dielectric. We show that the existence of sulfur vacancies at the MoS2-HfO2 interface is responsible for the generation of interface states with a density (Dit) reaching ~7.03 × 1011 cm−2 eV−1. This is evidenced by a deficit S:Mo ratio of ~1.96 using X-ray photoelectron spectroscopy (XPS) analysis, which deviates from its ideal stoichiometric value. First-principles calculations within the density-functional theory framework further confirms the presence of trap states due to sulfur deficiency, which exist within the MoS2 bandgap. This corroborates to a voltage-dependent frequency dispersion of ~11.5% at weak accumulation which decreases monotonically to ~9.0% at strong accumulation as the Fermi level moves away from the mid-gap trap states. Further reduction in Dit could be achieved by thermally diffusing S atoms to the MoS2-HfO2 interface to annihilate the vacancies. This work provides an insight into the interface properties for enabling the development of MoS2 devices with carrier transport enhancement.
Diabetes mellitus and the risk of total knee replacement among Chinese in Singapore, the Singapore Chinese Health Study
Authors: Leung Ying-Ying , Allen John Carson , Ang Li-Wei , Yuan Jian-Min , Koh Woon-Puay
Published: January 2017

Association between diabetes mellitus (diabetes) and risk of knee osteoarthritis (KOA) is confounded by high body mass index (BMI), a strong risk factor for both conditions. We evaluated the association between diabetes and incidence of total knee replacement (TKR) due to severe KOA in the Singapore Chinese Health Study, a prospective cohort of 63,257 Chinese men and women, aged 45–74 years at recruitment in 1993–1998, and re-interviewed in 1999–2004. Height, weight, lifestyle factors and history of diabetes were obtained through in-person interviews at recruitment and re-interview. Incident cases of TKR were identified via record linkage with nationwide hospital discharge database. Subjects with/without prevalent diabetes had comparable BMI (24.0 kg/m2 versus 23.0 kg/m2). After an average of 14-years, 1,973 subjects had TKR attributable to KOA. Compared to subjects without diabetes, hazard ratio (HR) of TKR for subjects with diabetes was 0.63 [95% confidence interval (CI), 0.52–0.75] after controlling for BMI and other risk factors. An inverse association was also observed between incident diabetes at re-interview and subsequent risk of TKR (HR = 0.74; 95% CI = 0.58–0.94). The inverse diabetes-TKR risk association was similar by gender and across three categories of BMI. Our study does not support diabetes as a risk factor of KOA.
Population genomic insights into variation and evolution of Xanthomonas oryzae pv. oryzae
Authors: Midha Samriti , Bansal Kanika , Kumar Sanjeet , Girija Anil Madhusoodana , Mishra Deo , Brahma Kranthi , Laha Gouri Sankar , Sundaram Raman Meenakshi , Sonti Ramesh V. , Patil Prabhu B.
Published: January 2017

Xanthomonas oryzae pv. oryzae ( Xoo) is a serious pathogen of rice causing bacterial leaf blight disease. Resistant varieties and breeding programs are being hampered by the emergence of highly virulent strains. Herein we report population based whole genome sequencing and analysis of 100 Xoo strains from India. Phylogenomic analysis revealed the clustering of Xoo strains from India along with other Asian strains, distinct from African and US Xo strains. The Indian Xoo population consists of a major clonal lineage and four minor but highly diverse lineages. Interestingly, the variant alleles, gene clusters and highly pathogenic strains are primarily restricted to minor lineages L-II to L-V and in particularly to lineage L-III. We could also find the association of an expanded CRISPR cassette and a highly variant LPS gene cluster with the dominant lineage. Molecular dating revealed that the major lineage, L-I is youngest and of recent origin compared to remaining minor lineages that seems to have originated much earlier in the past. Further, we were also able to identify core effector genes that may be helpful in efforts towards building durable resistance against this pathogen.
De novo AML exhibits greater microenvironment dysregulation compared to AML with myelodysplasia-related changes
Authors: Lopes Matheus Rodrigues , Pereira João Kleber Novais , de Melo Campos Paula , Machado-Neto João Agostinho , Traina Fabiola , Saad Sara T. Olalla , Favaro Patricia
Published: January 2017

The interaction between the bone marrow microenvironment and malignant hematopoietic cells can result in the protection of leukemia cells from chemotherapy in both myelodysplastic syndromes (MDS) and acute myeloid leukemia (AML). We, herein, characterized the changes in cytokine expression and the function of mesenchymal stromal cells (MSC) in patients with MDS, AML with myelodysplasia-related changes (MRC), a well-recognized clinical subtype of secondary AML, andde novoAML. We observed a significant inhibitory effect of MDS-MSC on T lymphocyte proliferation and no significant differences in any of the cytokines tested. AML-MSC inhibited T-cell proliferation only at a very low MSC/T cell ratio. When compared to the control, AML-MRCderived MSC presented a significant increase inIL6expression, whereasde novoAML MSC presented a significant increase in the expression levels ofVEGFA, CXCL12, RPGE2, IDO, IL1β, IL6andIL32, followed by a decrease inIL10expression. Furthermore, data indicate that IL-32 regulates stromal cell proliferation, has a chemotactic potential and participates in stromal cell crosstalk with leukemia cells, which could result in chemoresistance. Our results suggest that the differences between AML-MRC andde novoAML also extend into the leukemic stem cell niche and that IL-32 can participate in the regulation of the bone marrow cytokine milieu.
Effects of individual micronutrients on blood pressure in patients with type 2 diabetes: a systematic review and meta-analysis of randomized clinical trials
Authors: de Paula Tatiana P. , Kramer Caroline K. , Viana Luciana V. , Azevedo Mirela J.
Published: January 2017

To investigate the effects of micronutrients on blood pressure (BP) in patients with type 2 diabetes through a systematic review and meta-analysis, randomized clinical trials (RCTs) of the effects of individual micronutrients on BP in patients with type 2 diabetes were searched in the Medline, Embase, Cochrane, and Clinical Trials.gov databases through April 2016. From the 28,164 studies, 11 RCTs (13 interventions, 723 patients, 54% males) with 3 to 52 weeks of follow-up were classified according to the type of micronutrient intervention: sodium (n = 1), vitamin C (n = 2), vitamin D (n = 7), and magnesium (n = 1). The available data enabled us to perform meta-analyses of vitamins C and D. Vitamin C reduced diastolic BP [WMD −2.88 mmHg (95%CI −5.31, −0.46; P = 0.020)] but not systolic BP [WMD −3.93 mmHg (95%CI −14.78, 6.92; P = 0.478)]. Vitamin D caused a reduction of 4.56 mmHg (WMD; 95%CI −7.65, −1.47; P = 0.004) for systolic BP and 2.44 mm Hg (WMD; 95%CI −3.49, −1.39; P < 0.001) for diastolic BP. In conclusion, vitamin D and possibly vitamin C have beneficial effects on BP in patients with type 2 diabetes. These interventions might represent a novel approach to the treatment of hypertension in these patients.
Stress barriers controlling lateral migration of magma revealed by seismic tomography
Authors: Martí J. , Villaseñor A. , Geyer A. , López C. , Tryggvason A.
Published: January 2017

Understanding how monogenetic volcanic systems work requires full comprehension of the local and regional stresses that govern magma migration inside them and why/how they seem to change from one eruption to another. During the 2011–2012 El Hierro eruption (Canary Islands) the characteristics of unrest, including a continuous change in the location of seismicity, made the location of the future vent unpredictable, so short term hazard assessment was highly imprecise. A 3D P-wave velocity model is obtained using arrival times of the earthquakes occurred during that pre-eruptive unrest and several latter post-eruptive seismic crises not related to further eruptions. This model reveals the rheological and structural complexity of the interior of El Hierro volcanic island. It shows a number of stress barriers corresponding to regional tectonic structures and blocked pathways from previous eruptions, which controlled ascent and lateral migration of magma and, together with the existence of N-S regional compression, reduced its options to find a suitable path to reach the surface and erupt.
Tip-Enhanced Raman Scattering Imaging of Two-Dimensional Tungsten Disulfide with Optimized Tip Fabrication Process
Authors: Lee Chanwoo , Kim Sung Tae , Jeong Byeong Geun , Yun Seok Joon , Song Young Jae , Lee Young Hee , Park Doo Jae , Jeong Mun Seok
Published: January 2017

We successfully achieve the tip-enhanced nano Raman scattering images of a tungsten disulfide monolayer with optimizing a fabrication method of gold nanotip by controlling the concentration of etchant in an electrochemical etching process. By applying a square-wave voltage supplied from an arbitrary waveform generator to a gold wire, which is immersed in a hydrochloric acid solution diluted with ethanol at various ratios, we find that both the conical angle and radius of curvature of the tip apex can be varied by changing the ratio of hydrochloric acid and ethanol. We also suggest a model to explain the origin of these variations in the tip shape. From the systematic study, we find an optimal condition for achieving the yield of ~60% with the radius of ~34 nm and the cone angle of ~35°. Using representative tips fabricated under the optimal etching condition, we demonstrate the tip-enhanced Raman scattering experiment of tungsten disulfide monolayer grown by a chemical vapor deposition method with a spatial resolution of ~40 nm and a Raman enhancement factor of ~4,760.
Palladium-catalyzed synthesis of [60]fullerene-fused benzofurans via heteroannulation of phenols
Authors: Li Fei , Wang Jun-Jie , Wang Guan-Wu
Published: January 2017

Palladium-catalyzed heteroannulation of [60]fullerene with phenols has been developed for the synthesis of various [60]fullerene-fused benzofurans.
Defining the molecular structure of teixobactin analogues and understanding their role in antibacterial activities
Authors: Parmar Anish , Prior Stephen H. , Iyer Abhishek , Vincent Charlotte S. , Van Lysebetten Dorien , Breukink Eefjan , Madder Annemieke , Taylor Edward J. , Singh Ishwar
Published: January 2017

In this work, we have for the first time defined the molecular structure of seven teixobactin analogues through the variation of the d/l configuration of its key residues.
Electrospun metal–organic framework derived hierarchical carbon nanofibers with high performance for supercapacitors
Authors: Wang Chaohai , Liu Chao , Li Jiansheng , Sun Xiuyun , Shen Jinyou , Han Weiqing , Wang Lianjun
Published: January 2017

A novel N-doped MOF-based hierarchical carbon fiber (NPCF) towards supercapacitors was prepared by the pyrolysis of MOF nanofibers.
Postsynthetic N-methylation making a metal–organic framework responsive to alkylamines
Authors: Yang Ning-Ning , Sun Wei , Xi Fu-Gui , Sui Qi , Chen Li-Jun , Gao En-Qing
Published: January 2017

The postsynthetically created electron-deficient bipyridinium moieties in a Zr-MOF provide charge-transfer sites for selectively recognizing and capturing alkylamines with fast and reversible vapochromism and luminescence quenching.
Molecular dynamics simulations of the effect of waviness and agglomeration of CNTs on interface strength of thermoset nanocomposites
Authors: Alian A. R. , Meguid S. A.
Published: January 2017

Effect of CNT agglomeration and waviness on the interfacial properties of nanocomposites was investigated using molecular dyanmics simulations.
Novel high-temperature ferroelectric domain morphology in PbTiO3 ultrathin films
Authors: Chapman Jacob B. J. , Kimmel Anna V. , Duffy Dorothy M.
Published: January 2017

We report the misfit-strain vs. temperature dependence of lead titanate ultrathin films calculated using molecular dynamics, identifying novel domain patterns and exotic properties.
Initial stages of CO2 adsorption on CaO: a combined experimental and computational study
Authors: Solis Brian H. , Cui Yi , Weng Xuefei , Seifert Jan , Schauermann Swetlana , Sauer Joachim , Shaikhutdinov Shamil , Freund Hans-Joachim
Published: January 2017

Room temperature adsorption of carbon dioxide (CO2) on monocrystalline CaO(001) thin films grown on a Mo(001) substrate was studied by infrared reflection–absorption spectroscopy (IRAS) and quantum chemical calculations.
Electronic and bite angle effects in catalytic C–O bond cleavage of a lignin model compound using ruthenium Xantphos complexes
Authors: Shaw Luke , Somisara D. M. Upulani K. , How Rebecca C. , Westwood Nicholas J. , Bruijnincx Pieter C. A. , Weckhuysen Bert M. , Kamer Paul C. J.
Published: January 2017

Bite angle and electronic effects on the ruthenium–diphosphine catalysed ether bond cleavage of the lignin β-O-4 model compound 2-phenoxy-1-phenylethanol were tested.
Structure and bonding of [Pd2Sn18]4−: an interesting example of the mutual delocalisation phenomenon
Authors: Sheong Fu Kit , Chen Wen-Jie , Zhang Jing-Xuan , Li Yang , Lin Zhenyang
Published: January 2017

The [Pd2Sn18]4− cluster can be elucidated based on the mutual delocalisation of two identical [PdSn9]2− fragments. Other roles of the [E9]2− (E = Group 14 element) fragments were also examined.
Heterometallic molecular precursors for a lithium–iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition
Authors: Han Haixiang , Wei Zheng , Barry Matthew C. , Filatov Alexander S. , Dikarev Evgeny V.
Published: January 2017

Heterometallic single-source precursors with the appropriate Li : Fe ratio were shown to yield the target LiFeO2cathode material upon thermal decomposition.
Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes
Authors: Borisova Nataliya E. , Kharcheva Anastasia V. , Patsaeva Svetlana V. , Korotkov Leonid A. , Bakaev Sergey , Reshetova Marina D. , Lyssenko Konstantin A. , Belova Elena V. , Myasoedov Boris F.
Published: January 2017

New phosphinoyl-based tetradentate heterocycles and their phosphorescent Eu(iii) complexes prepared and characterized.
Synthesis of novel CoOx decorated CeO2 hollow structures with an enhanced photocatalytic water oxidation performance under visible light irradiation
Authors: Fang Siman , Li Songsong , Ge Lei , Han Changcun , Qiu Ping , Gao Yangqin
Published: January 2017

Cobalt oxide decorated octahedral ceria hollow structures (CoOx/CeO2) with various contents of CoOx nanoparticles were prepared via a simple chemical impregnation method.
Synbiotic Amazonian palm berry (açai, Euterpe oleracea Mart.) ice cream improved Lactobacillus rhamnosus GG survival to simulated gastrointestinal stress
Authors: Costa Mayra Garcia Maia , Ooki Gabriela Namur , Vieira Antônio Diogo Silva , Bedani Raquel , Saad Susana Marta Isay
Published: January 2017

LGG in açai ice cream showed higher survival toin vitroGI conditions compared to fresh culture.
Digestibility and supramolecular structural changes of maize starch by non-covalent interactions with gallic acid
Authors: Chi Chengdeng , Li Xiaoxi , Zhang Yiping , Chen Ling , Li Lin , Wang Zhijiang
Published: January 2017

The synergistic effect of starch–GA complexes with more ordered multi-scale structures and the released GA inhibition decrease starch enzymatic digestibility.
Formononetin inhibits human bladder cancer cell proliferation and invasiveness via regulation of miR-21 and PTEN
Authors: Wu Yiying , Zhang Xing , Li Zhengzhao , Yan Haibiao , Qin Jian , Li Tianyu
Published: January 2017

The isoflavone formononetin is the main active component of Astragalus membranaceus and possesses anti-tumorigenic properties.
The influence of lipid droplet size on the oral bioavailability of vitamin D2encapsulated in emulsions: an in vitro and in vivo study
Authors: Salvia-Trujillo L. , Fumiaki B. , Park Y. , McClements D. J.
Published: January 2017

Vitamin D deficiency is prevalent in some populations leading to adverse health effects, and therefore there is a need to supplement functional foods and beverages with this important micronutrient.
A scaffold merging approach to Hsp90 C-terminal inhibition: synthesis and evaluation of a chimeric library
Authors: Davis Rachel E. , Zhang Zheng , Blagg Brian S. J.
Published: January 2017

Two previously identified Hsp90 C-terminal inhibitors were merged into a single scaffold that manifested improved Hsp90 inhibitory activity.
Recent advances in the medicinal chemistry of group II and group III mGlu receptors
Authors: Jin Chaobin , Ma Shutao
Published: January 2017

This review summarizes recent advancements in the discovery of group II and group III mGluR allosteric modulators and agonists/antagonists, with a focus on their structures, biological activity, and selectivity.
Synthesis and biological evaluation of 8-hydroxy-2,7-naphthyridin-2-ium salts as novel inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE)
Authors: Schiedel M. , Fallarero A. , Luise C. , Sippl W. , Vuorela P. , Jung M.
Published: January 2017

Discovery of 8-hydroxy-2,7-naphthyridinium salts as a novel class of cholinesterase inhibitors inspired by the natural product chelerythrine.
Discovery of potent human lactate dehydrogenase A (LDHA) inhibitors with antiproliferative activity against lung cancer cells: virtual screening and biological evaluation
Authors: Li Xiao-Mei , Xiao Wen-Hua , Zhao Hui-Xia
Published: January 2017

A novel inhibitor with good inhibitory potency (IC50 = 0.36 μM) against LDHA that inhibits the growth of A549 and NCI-H1975 lung cancer cells was reported herein.
A flexible p-CuO/n-MoS2 heterojunction photodetector with enhanced photoresponse by the piezo-phototronic effect
Authors: Zhang Ke , Peng Mingzeng , Wu Wei , Guo Junmeng , Gao Guoyun , Liu Yudong , Kou Jinzong , Wen Rongmei , Lei Ying , Yu Aifang , Zhang Yang , Zhai Junyi , Wang Zhong Lin
Published: January 2017

Flexible functional devices based on two dimensional (2D) materials are extremely suitable for malleable, portable and sustainable applications.
A facile strategy to fabricate nitrogen-doped graphene aerogel-supported Fe3N nanoparticles as efficient electrocatalysts for the oxygen reduction reaction
Authors: Wang Shufeng , Yu Dingling , He Xingquan
Published: January 2017

In this study, a novel hybrid composed of iron nitride and nitrogen-functionalized graphene aerogel (Fe3N/N-GA) was fabricated and used as an electrode material for the oxygen reduction reaction (ORR).
On the nature of the electronic effect of multiple hydroxyl groups in the 6-membered ring – the effects are additive but steric hindrance plays a role too
Authors: Pedersen Christian Marcus , Bols Mikael
Published: January 2017

Electronic and steric effects each play important roles in determining the base strength in piperidines.
Microstructural evolution of regenerated silk fibroin/graphene oxide hybrid fibers under tensile deformation
Authors: Zhang Chao , Zhang Yaopeng , Luo Jie , Shi Jingru , Shao Huili , Hu Xuechao
Published: January 2017

The stress–strain curve and proposed model of microstructural change of silk fibroin/GO hybrid fibers during the stretching deformation.
Protein–inorganic hybrid system for efficient his-tagged enzymes immobilization and its application in l-xylulose production
Authors: Patel Sanjay K. S. , Otari Sachin V. , Chan Kang Yun , Lee Jung-Kul
Published: January 2017

Efficient his-tagged recombinant enzyme nanoflowers were synthesized and used for rare sugar production under co-factor regeneration conditions.
Ruthenium-catalyzed solvent-free conversion of furfural to furfuryl alcohol
Authors: Tukacs József M. , Bohus Márton , Dibó Gábor , Mika László T.
Published: January 2017

Bidentate phosphine-modified Ru-based homogeneous catalyst systems were developed for any solvent-free conversion of furfural to furfuryl alcohol as a versatile biomass-based C5-platform molecule.
Magnetic separation of clenbuterol based on competitive immunoassay and evaluation by surface-enhanced Raman spectroscopy
Authors: Wei Chao , Zong Yi , Guo Qinghua , Xu Minmin , Yuan Yaxian , Yao Jianlin
Published: January 2017

The elimination of β-agonist has attracted considerable interest due to its harmfulness to human health when it existed in pork.
Zinc triflate-mediated cyclopropanation of oxindoles with vinyl diphenyl sulfonium triflate: a mild reaction with broad functional group compatibility
Authors: Zhou Mingwei , En Ke , Hu Yimin , Xu Yufang , Shen Hong C. , Qian Xuhong
Published: January 2017

The first use of Zn(OTf)2 for the cyclopropanation of unprotected oxindoles with vinyl diphenyl sulfonium triflate to show high regioselectivity.
Immobilising a cobalt cubane catalyst on a dye-sensitised TiO2 photoanode via electrochemical polymerisation for light-driven water oxidation
Authors: Li Jialing , Jiang Yi , Zhang Qian , Zhao Xiaochen , Li Na , Tong Haili , Yang Xiaoxuan , Xia Lixin
Published: January 2017

A cobalt cubane catalyst Co4O4(O2CMe)4(4-vinylpy)4 was immobilised on a dye-sensitized TiO2 electrode via electrochemical polymerization for light-driven water oxidation.
Facile preparation of polyimide/graphene nanocomposites via an in situ polymerization approach
Authors: Qin Songlv , Chen Cheng , Cui Mingjun , Zhang Afang , Zhao Haichao , Wang Liping
Published: January 2017

In this study, to achieve a compatible and good dispersion of graphene in polyimide matrix, we synthesized an aromatic diamine, aniline trimer, as a polymerizable graphene dispersant.
Mineralization of a superficially porous microsphere scaffold via plasma modification
Authors: Hou Jie , Zhang Fen , Cheng Delin , Shi Xuetao , Cao Xiaodong
Published: January 2017

Novel porous mineralization layers were obtained on scaffolds. The plasma process could enhance the bonding force between apatite and the substrate surface.
Highly sensitive and selective complexation based voltammetric methods for the analysis of rabeprazole sodium in real samples
Authors: Khashaba Pakinaz Y. , Ali Hassan Refat H. , El-Wekil Mohamed M.
Published: January 2017

The effect of adding transition metals to the electrolyte containing proton pump inhibitors, such as rabeprazole sodium (RAB sodium), on the voltammetric response of pencil graphite electrode was studied.
Drug induced micelle-to-vesicle transition in aqueous solutions of cationic surfactants
Authors: Vaid Zuber S. , Kumar Arvind , El Seoud Omar A. , Malek Naved I.
Published: January 2017

Solubilization of the drug diclofenac sodium (DS) in micellar aggregates of ionic liquid-based surfactants and cetyltrimethylammonium bromide at 25 °C induces changes to worm-like micelles and vesicles, with potential use in drug delivery.
Solvent-free Knoevenagel reaction catalysed by reusable pyrrolidinium base protic ionic liquids (PyrrILs): synthesis of long-chain alkylidenes
Authors: Sobrinho R. C. M. Alves , Oliveira P. M. de , D'Oca C. R. Montes , Russowsky D. , D'Oca M. G. Montes
Published: January 2017

In this work, an efficient and reusable pyrrolidinium ionic liquid (PyrrIL) catalysis system was developed and used in a Knoevenagel condensation reaction of long-chain aldehydes with several 1,3-dicarbonyl compounds.
Exploring complex transitions between polymorphs on a small scale by coupling AFM, FTIR and DSC: the case of Irganox 1076® antioxidant
Authors: Saunier Johanna , Herry Jean-Marie , Yagoubi Najet , Marlière Christian
Published: January 2017

Thanks to adhesion force mapping by AFM, solid/solid transitions are distinguished from melting/recrystallization processes occurring in the same temperature range.
Tailoring the delivery of therapeutic ions from bioactive scaffolds while inhibiting their apatite nucleation: a coaxial electrospinning strategy for soft tissue regeneration
Authors: Zhou Pin , Wang Jian , Maçon Anthony L. B. , Obata Akiko , Jones Julian R. , Kasuga Toshihiro
Published: January 2017

Control the release of ions as a function of the shell thickness. Inhibit hydroxyapatite nucleation. Improve mechanical properties.
Broad near-ultraviolet and blue excitation band induced dazzling red emissions in Eu3+-activated Gd2MoO6 phosphors for white light-emitting diodes
Authors: Du Peng , Guo Yue , Lee Soo Hyun , Yu Jae Su
Published: January 2017

A series of Eu3+-activated Gd2MoO6 phosphors were synthesized via a citric acid-assisted sol–gel route.
Silver nanoparticles supported on zirconia–ceria for the catalytic wet air oxidation of methyl tert-butyl ether
Authors: Guerra-Que Z. , Torres-Torres G. , Pérez-Vidal H. , Cuauhtémoc-López I. , Espinosa de los Monteros A. , Beltramini Jorge N. , Frías-Márquez D. M.
Published: January 2017

In this work Ag nanoparticles supported on ZrO2–CeO2 promoted with different amounts of CeO2 were synthesized by deposition–precipitation method in order to test the Catalytic Wet Air Oxidation (CWAO) of Methyl Tert-Butyl Ether (MTBE).
Recrystallization of copper at a solid interface for improved CVD graphene growth
Authors: Hsieh Ya-Ping , Chen Ding-Rui , Chiang Wan-Yu , Chen Kai-Jyun , Hofmann Mario
Published: January 2017

Annealing of Cu in contact with a solid cap was found to relax lattice strain and minimize surface roughness which enhanced graphene growth.
Surface dissimilarity affects critical distance of influence for confined water
Authors: Alex Aleena , Nagesh Ashwin Konanur , Ghosh Pijush
Published: January 2017

In this study, the properties of nano-confined water, such as density, orientation etc., are monitored across varying confinement spacing to determine the critical distance of influence between dissimilar surfaces.
Electrochemical and electromechanical behavior of Nafion-based soft actuators with PPy/CB/MWCNT nanocomposite electrodes
Authors: Rasouli Haleh , Naji Leila , Hosseini Mir Ghasem
Published: January 2017

In this work, as an alternative to precious platinum electrodes in IPMC actuators, PPy/CB/MWCNT electrode actuators were successfully fabricated by electropolymerization of PPy on both sides of the CB/MWCNT-coated Nafion membranes.
Sensitive DNA detection using cascade amplification strategy based on conjugated polyelectrolytes and hybridization chain reaction
Authors: Bao Biqing , Zhu Jin , Gong Lina , Chen Jia , Pan Yanrui , Wang Lianhui
Published: January 2017

A novel cascade amplification strategy that combines the molecular wire effects of CPEs with the signal amplification capability of the HCR has been developed for sensitive DNA detection.
Assembly of 3D flower-like NiO hierarchical architectures by 2D nanosheets: synthesis and their sensing properties to formaldehyde
Authors: San Xiaoguang , Zhao Guodong , Wang Guosheng , Shen Yanbai , Meng Dan , Zhang Yajing , Meng Fanli
Published: January 2017

NiO flower-like hierarchical architectures were synthesized by a solvothermal route, which exhibited good formaldehyde gas sensing performance. The effect of reaction time and ethanol/water volume ratio on morphologies was investigated and a synthesis mechanism was proposed.
Structures and properties of energetic cations in energetic salts
Authors: Liu W. , Liu W. L. , Pang S. P.
Published: January 2017

Energetic cations play important roles in energetic performance, which may attribute to the diverse backbones and substituted groups of energetic cations. This review emphasizes the roles of backbones and substituted groups in the energetic performance of energetic salts.
Rhodium(i) diphenylphosphine complexes supported on porous organic polymers as efficient and recyclable catalysts for alkene hydrogenation
Authors: Campos Cristian H. , Belmar Julio B. , Jeria Solange E. , Urbano Bruno F. , Torres Cecilia C. , Alderete Joel B.
Published: January 2017

Highly stable, chemoselective and recyclable immobilized Rh(i) homogeneous catalysts for alkene hydrogenation.
Laccase catalyzed grafting of –N–OH type mediators to lignin via radical–radical coupling
Authors: Munk L. , Punt A. M. , Kabel M. A. , Meyer A. S.
Published: January 2017

Lignin can be functionalized with –N–OH type mediatorsvialaccase catalysis. Three radical coupling mechanisms are suggested for this enzymatic “hetero-functionalization” which may be a new route for biomass lignin upgrading.
The controllable construction and properties characterization of organic–inorganic hybrid materials based on benzoxazine-bridged polysilsesquioxanes
Authors: Liu Huan , Fu Zi-en , Song Fei , Liu Qingquan , Chen Lijuan
Published: January 2017

Some controllable morphology organic–inorganic hybrid materials have been prepared via the homopolymerization of benzoxazine-bridged polysilsesquioxanes precursors with different degrees of the triethoxysilane hydrolysis condensation.
Stabilization and transformation of Pt nanocrystals supported on ZnAl2O4spinel
Authors: Li Wei-Zhen , Kovarik Libor , Cheng Yingwen , Nie Lei , Bowden Mark E. , Liu Jun , Wang Yong
Published: January 2017

We report remarkable stability of Pt crystals supported on {111} facet of ZnAl2O4under harsh oxidizing atmosphere, we also identified segregation of ZnAl2O4to ZnO and Al2O3and formation of PtZn for Pt supported on other facets of ZnAl2O4.
Domain and antiferroelectric properties of Pb(Lu1/2Nb1/2)O3 single crystals and their superlattice structure
Authors: Liu Ying , Yang Xiaoming , He Chao , Li Xiuzhi , Wang Zujian , Xiao Yuzhe , Long Xifa
Published: January 2017

In order to obtain antiferroelectric single crystals for understanding their structure and the physics and chemistry of the antiferroelectric phenomenon, antiferroelectric single crystals of Pb(Lu1/2Nb1/2)O3 (PLN) were successfully grown.
Electrochemistry and surface-enhanced Raman spectroscopy of CTAB modulated interactions of magnetic nanoparticles with biomolecules
Authors: Joseph Delina , Rodriguez Raul D. , Verma Akash , Pousaneh Elaheh , Zahn Dietrich R. T. , Lang Heinrich , Chandra Sudeshna
Published: January 2017

In this study, cyclic voltammetry was used to unearth the electrochemical behavior of MNPs/CTAB and their interaction with biomolecules whereas SERS provided an insight into the mode of interaction in these molecular associations.