bluuebunny/crossref_metadata_2025 huggingface dataset:
Cardiovascular Disease Chemogenomics Knowledgebase-guided Target Identification and Drug Synergy Mechanism Study of an Herbal Formula
Authors: Zhang Hai , Ma Shifan , Feng Zhiwei , Wang Dongyao , Li Chengjian , Cao Yan , Chen Xiaofei , Liu Aijun , Zhu Zhenyu , Zhang Junping , Zhang Guoqing , Chai Yifeng , Wang Lirong , Xie Xiang-Qun
Published: September 2016

Combination therapy is a popular treatment for various diseases in the clinic. Among the successful cases, Traditional Chinese Medicinal (TCM) formulae can achieve synergistic effects in therapeutics and antagonistic effects in toxicity. However, characterizing the underlying molecular synergisms for the combination of drugs remains a challenging task due to high experimental expenses and complication of multicomponent herbal medicines. To understand the rationale of combination therapy, we investigated Sini Decoction, a well-known TCM consisting of three herbs, as a model. We applied our established diseases-specific chemogenomics databases and our systems pharmacology approach TargetHunter to explore synergistic mechanisms of Sini Decoction in the treatment of cardiovascular diseases. (1) We constructed a cardiovascular diseases-specific chemogenomics database, including drugs, target proteins, chemicals, and associated pathways. (2) Using our implemented chemoinformatics tools, we mapped out the interaction networks between active ingredients of Sini Decoction and their targets. (3) We also in silico predicted and experimentally confirmed that the side effects can be alleviated by the combination of the components. Overall, our results demonstrated that our cardiovascular disease-specific database was successfully applied for systems pharmacology analysis of a complicated herbal formula in predicting molecular synergetic mechanisms, and led to better understanding of a combinational therapy.
Collective modes in multi-Weyl semimetals
Authors: Ahn Seongjin , Hwang E. H. , Min Hongki
Published: September 2016

We investigate collective modes in three dimensional (3D) gapless multi-Weyl semimetals with anisotropic energy band dispersions (i.e., "Equation missing" with a positive integer J). For comparison, we also consider the gapless semimetals with the isotropic band dispersions (i.e. E ~ kJ). We calculate analytically long-wavelength plasma frequencies incorporating interband transitions and chiral properties of carriers. For both the isotropic and anisotropic cases, we find that interband transitions and chirality lead to the depolarization shift of plasma frequencies. For the isotropic parabolic band dispersion the long-wavelength plasmons do not decay via Landau damping, while for the higher-order band dispersions the long-wavelength plasmons experience damping below a critical density. For systems with the anisotropic dispersion the density dependence of the long-wavelength plasma frequency along the direction of non-linear dispersion behaves like that of the isotropic linear band model, while along the direction of linear dispersion it behaves like that of the isotropic non-linear model. Plasmons along both directions remain undamped over a broad range of densities due to the chirality induced depolarization shift. Our results provide a comprehensive picture of how band dispersion and chirality affect plasmon behaviors in 3D gapless chiral systems with the arbitrary band dispersion.
In Utero Caffeine Exposure Induces Transgenerational Effects on the Adult Heart
Authors: Fang Xiefan , Poulsen Ryan R. , Rivkees Scott A. , Wendler Christopher C.
Published: September 2016

Each year millions of pregnant woman are exposed to caffeine, which acts to antagonize adenosine action. The long-term consequences of this exposure on the developing fetus are largely unknown, although in animal models we have found adverse effects on cardiac function. To assess if these effects are transmitted transgenerationally, we exposed pregnant mice to caffeine equivalent to 2–4 cups of coffee at two embryonic stages. Embryos (F1 generation) exposed to caffeine early from embryonic (E) day 6.5–9.5 developed a phenotype similar to dilated cardiomyopathy by 1 year of age. Embryos exposed to caffeine later (E10.5–13.5) were not affected. We next examined the F2 generation and F3 generation of mice exposed to caffeine from E10.5–13.5, as this coincides with germ cell development. These F2 generation adult mice developed a cardiac phenotype similar to hypertrophic cardiomyopathy. The F3 generation exhibited morphological changes in adult hearts, including increased mass. This report shows that in utero caffeine exposure has long-term effects into adulthood and that prenatal caffeine exposure can exert adverse transgenerational effects on adult cardiac function.
Ecosystem services sustainability in the Mediterranean Sea: assessment of status and trends using multiple modelling approaches
Authors: Liquete Camino , Piroddi Chiara , Macías Diego , Druon Jean-Noël , Zulian Grazia
Published: September 2016

Mediterranean ecosystems support important processes and functions that bring direct benefits to human society. Yet, marine ecosystem services are usually overlooked due to the challenges in identifying and quantifying them. This paper proposes the application of several biophysical and ecosystem modelling approaches to assess spatially and temporally the sustainable use and supply of selected marine ecosystem services. Such services include food provision, water purification, coastal protection, lifecycle maintenance and recreation, focusing on the Mediterranean region. Overall, our study found a higher number of decreasing than increasing trends in the natural capacity of the ecosystems to provide marine and coastal services, while in contrast the opposite was observed to be true for the realised flow of services to humans. Such a study paves the way towards an effective support for Blue Growth and the European maritime policies, although little attention is paid to the quantification of marine ecosystem services in this context. We identify a key challenge of integrating biophysical and socio-economic models as a necessary step to further this research.
Oceanography promotes self-recruitment in a planktonic larval disperser
Authors: Teske Peter R. , Sandoval-Castillo Jonathan , van Sebille Erik , Waters Jonathan , Beheregaray Luciano B.
Published: September 2016

The application of high-resolution genetic data has revealed that oceanographic connectivity in marine species with planktonic larvae can be surprisingly limited, even in the absence of major barriers to dispersal. Australia’s southern coast represents a particularly interesting system for studying planktonic larval dispersal, as the hydrodynamic regime of the wide continental shelf has potential to facilitate onshore retention of larvae. We used a seascape genetics approach (the joint analysis of genetic data and oceanographic connectivity simulations) to assess population genetic structure and self-recruitment in a broadcast-spawning marine gastropod that exists as a single meta-population throughout its temperate Australian range. Levels of self-recruitment were surprisingly high and oceanographic connectivity simulations indicated that this was a result of low-velocity nearshore currents promoting the retention of planktonic larvae in the vicinity of natal sites. Even though the model applied here is comparatively simple and assumes that the dispersal of planktonic larvae is passive, we find that oceanography alone is sufficient to explain the high levels of genetic structure and self-recruitment. Our study contributes to growing evidence that sophisticated larval behaviour is not a prerequisite for larval retention in the nearshore region in planktonic-developing species.
Optically Transparent Ferromagnetic Nanogranular Films with Tunable Transmittance
Authors: Kobayashi Nobukiyo , Masumoto Hiroshi , Takahashi Saburo , Maekawa Sadamichi
Published: September 2016

Developing optically transparent magnets at room temperature is an important challenge. They would bring many innovations to various industries, not only for electronic and magnetic devices but also for optical applications. Here we introduce FeCo-(Al-fluoride) nanogranular films exhibiting ferromagnetic properties with high optical transparency in the visible light region. These films have a nanocomposite structure, in which nanometer-sized FeCo ferromagnetic granules are dispersed in an Al-fluoride crystallized matrix. The optical transmittance of these films is controlled by changing the magnetization. This is a new type of magneto-optical effect and is explained by spin-dependent charge oscillation between ferromagnetic granules due to quantum-mechanical tunneling.
Maternal Body Mass Index and Risk of Autism Spectrum Disorders in Offspring: A Meta-analysis
Authors: Wang Ying , Tang Shiming , Xu Shunsheng , Weng Shenhong , Liu Zhongchun
Published: September 2016

Controversial results of the association between maternal body mass index (BMI) and risk of autism spectrum disorder (ASD) in offspring were reported among several studies. This meta-analysis was conducted to estimate the overall association between maternal BMI and risk of ASD in offspring. PubMed, EMBASE, Web of Science, and the Cochrane Library were searched until January 2016. Cohort and case-control studies addressing the association between maternal BMI and risk of ASD in offspring were included. We used random-effect models to estimate the summary relative risks (RRs), we also performed a dose-response meta-analysis to estimate the trend from the correlated log RR estimates across levels of BMI quantitatively. Totally, 6 cohort studies and 1 case-control study involving 8,403 cases and 509,167 participants were included for analysis. The summary RR (95% confidence interval) for ASD in offspring in relation to maternal underweight, overweight, and obesity vs. normal weight during pre-pregnancy or pregnancy, was 1.07 (0.93, 1.23), 1.28 (1.19, 1.36) and 1.36 (1.03, 1.78), respectively. A linear dose-response relationship was found, with a pooled RR of 1.16 (1.01, 1.33) for each 5 kg/m2. increment in maternal BMI. The present study suggests that excessive maternal BMI is associated with increased ASD risk in offspring.
Potential role of gene-environment interactions in ion transport mechanisms in the etiology of renal cell cancer
Authors: Deckers Ivette A. G. , van den Brandt Piet A. , van Engeland Manon , van Schooten Frederik J. , Godschalk Roger W. L. , Keszei András P. , Hogervorst Janneke G. F. , Schouten Leo J.
Published: September 2016

We investigated the ion transport mechanism (ITM) in renal cell cancer (RCC) etiology using gene-environment interactions between candidate single nucleotide polymorphisms (SNPs) and associated environmental factors, including dietary intakes of sodium, potassium and fluid, hypertension and diuretic medication. A literature-based selection of 13 SNPs in ten ITM genes were successfully genotyped in toenail DNA of 3,048 subcohort members and 419 RCC cases from the Netherlands Cohort Study. Diet and lifestyle were measured with baseline questionnaires. Cox regression analyses were conducted for main effects and gene-environment interactions. ADD1_rs4961 was significantly associated with RCC risk, showing a Hazard Ratio (HR) of 1.24 (95% confidence intervals (CI): 1.01–1.53) for the GT + TT (versus GG) genotype. Four of 65 tested gene-environment interactions were statistically significant. Three of these interactions clustered in SLC9A3_rs4957061, including the ones with fluid and potassium intake, and diuretic medication. For fluid intake, the RCC risk was significantly lower for high versus low intake in participants with the CC genotype (HR(95% CI): 0.47(0.26–0.86)), but not for the CT + TT genotype (P-interaction = 0.002). None of the main genetic effects and gene-environment interactions remained significant after adjustment for multiple testing. Data do not support the general hypothesis that the ITM is a disease mechanism in RCC etiology.
FAK deletion accelerates liver regeneration after two-thirds partial hepatectomy
Authors: Shang Na , Arteaga Maribel , Chitsike Lennox , Wang Fang , Viswakarma Navin , Breslin Peter , Qiu Wei
Published: September 2016

Understanding the molecular mechanisms of liver regeneration is essential to improve the survival rate of patients after surgical resection of large amounts of liver tissue. Focal adhesion kinase (FAK) regulates different cellular functions, including cell survival, proliferation and cell migration. The role of FAK in liver regeneration remains unknown. In this study, we found that Fak is activated and induced during liver regeneration after two-thirds partial hepatectomy (PHx). We used mice with liver-specific deletion of Fak and investigated the role of Fak in liver regeneration in 2/3 PHx model (removal of 2/3 of the liver). We found that specific deletion of Fak accelerates liver regeneration. Fak deletion enhances hepatocyte proliferation prior to day 3 post-PHx but attenuates hepatocyte proliferation 3 days after PHx. Moreover, we demonstrated that the deletion of Fak in liver transiently increases EGFR activation by regulating the TNFα/HB-EGF axis during liver regeneration. Furthermore, we found more apoptosis in Fak-deficient mouse livers compared to WT mouse livers after PHx. Conclusion: Our data suggest that Fak is involved in the process of liver regeneration, and inhibition of FAK may be a promising strategy to accelerate liver regeneration in recipients after liver transplantation.
Gain-of-function defects of astrocytic Kir4.1 channels in children with autism spectrum disorders and epilepsy
Authors: Sicca Federico , Ambrosini Elena , Marchese Maria , Sforna Luigi , Servettini Ilenio , Valvo Giulia , Brignone Maria Stefania , Lanciotti Angela , Moro Francesca , Grottesi Alessandro , Catacuzzeno Luigi , Baldini Sara , Hasan Sonia , D’Adamo Maria Cristina , Franciolini Fabio , Molinari Paola , Santorelli Filippo M. , Pessia Mauro
Published: September 2016

Dysfunction of the inwardly-rectifying potassium channels Kir4.1 (KCNJ10) represents a pathogenic mechanism contributing to Autism-Epilepsy comorbidity. To define the role of Kir4.1 variants in the disorder, we sequenced KCNJ10 in a sample of affected individuals and performed genotype-phenotype correlations. The effects of mutations on channel activity, protein trafficking and astrocyte function were investigated in Xenopus laevis oocytes and in human astrocytoma cell lines. An in vivo model of the disorder was also explored through generation of kcnj10a morphant zebrafish overexpressing the mutated human KCNJ10. We detected germline heterozygous KCNJ10 variants in 19/175 affected children. Epileptic spasms with dysregulated sensory processing represented the main disease phenotype. When investigated on astrocyte-like cells, the p.R18Q mutation exerted a gain-of-function effect by enhancing Kir4.1 membrane expression and current density. Similarly, the p.R348H variant led to gain of channel function through hindrance of pH-dependent current inhibition. The frequent polymorphism p.R271C seemed, instead, to have no obvious functional effects. Our results confirm that variants in KCNJ10 deserve attention in autism-epilepsy and provide insight into the molecular mechanisms of autism and seizures. Similar to neurons, astrocyte dysfunction may result in abnormal synaptic transmission and electrical discharge and should be regarded as a possible pharmacological target in autism-epilepsy.
Sharp transitions in low-number quantum dots Bayesian magnetometry
Authors: Mazurek Paweł , Horodecki Michał , Czekaj Łukasz , Horodecki Paweł
Published: September 2016

We consider Bayesian estimate of static magnetic field, characterized by a prior Gaussian probability distribution, in systems of a few electron quantum dot spins interacting with infinite temperature spin environment via hyperfine interaction. Sudden transitions among optimal states and measurements are observed. Usefulness of measuring occupation levels is shown for all times of the evolution, together with the role of entanglement in the optimal scenario. For low values of magnetic field, memory effects stemming from the interaction with environment provide limited metrological advantage.
To Unveil the Molecular Mechanisms of Qi and Blood through Systems Biology-Based Investigation into Si-Jun-Zi-Tang and Si-Wu-Tang formulae
Authors: Sun Jing , Zhang Li , He Yujun , Zhang Kun , Wu Liping , Fan Yongsheng , Xie Zhijun
Published: September 2016

Traditional Chinese Medicine (TCM) is increasingly getting clinical application worldwide. But its theory like QI-Blood is still abstract. Actually, Qi deficiency and blood deficiency, which were treated by Si-Jun-Zi-Tang (SJZT) and Si-Wu-Tang (SWT) respectively, have characteristic clinical manifestations. Here, we analyzed targets of the ingredients in SJZT and SWT to unveil potential biologic mechanisms between Qi deficiency and blood deficiency through biomedical approaches. First, ingredients in SWT and SJZT were retrieved from TCMID database. The genes targeted by these ingredients were chosen from STITCH. After enrichment analysis by Gene Ontology (GO) and DAVID, enriched GO terms with p-value less than 0.01 were collected and interpreted through DAVID and KEGG. Then a visualized network was constructed with ClueGO. Finally, a total of 243 genes targeted by 195 ingredients of SWT formula and 209 genes targeted by 61 ingredients of SJZT were obtained. Six metabolism pathways and two environmental information processing pathways enriched by targets were correlated with 2 or more herbs in SWT and SJZT formula, respectively.
MicroRNA let-7f-5p Inhibits Porcine Reproductive and Respiratory Syndrome Virus by Targeting MYH9
Authors: Li Na , Du Taofeng , Yan Yunhuan , Zhang Angke , Gao Jiming , Hou Gaopeng , Xiao Shuqi , Zhou En-Min
Published: September 2016

Porcine reproductive and respiratory syndrome virus (PRRSV) is one of the most important viral pathogens in the swine industry. Current antiviral strategies do not effectively prevent and control PRRSV. Recent reports show that microRNAs (miRNAs) play vital roles in viral infections by post transcriptionally regulating the expression of viral or host genes. Our previous research showed that non-muscle myosin heavy chain 9 (MYH9) is an essential factor for PRRSV infection. Using bioinformatic prediction and experimental verification, we demonstrate that MYH9 expression is regulated by the miRNA let-7f-5p, which binds to the MYH9 mRNA 3′UTR and may play an important role during PRRSV infection. To understand how let-7f-5p regulates PRRSV infection, we analyzed the expression pattern of both let-7f-5p and MYH9 in porcine alveolar macrophages (PAMs) after infection with either highly pathogenic PRRSV (HP-PRRSV) or classical type PRRSV (N-PRRSV) using a deep sequencing approach with quantitative real-time PCR validation. Our results showed that both HP-PRRSV and N-PRRSV infection reduced let-7f-5p expression while also inducing MYH9 expression. Furthermore, let-7f-5p significantly inhibited PRRSV replication through suppression of MYH9 expression. These findings not only provide new insights into the pathogenesis of PRRSV, but also suggest potential new antiviral strategies against PRRSV infection.
Depletion of primary cilia from mature dentate granule cells impairs hippocampus-dependent contextual memory
Authors: Rhee Soyoung , Kirschen Gregory W. , Gu Yan , Ge Shaoyu
Published: September 2016

The primary cilium, a sensory organelle, regulates cell proliferation and neuronal development of dentate granule cells in the hippocampus. However, its role in the function of mature dentate granule cells remains unknown. Here we specifically depleted and disrupted ciliary proteins IFT20 and Kif3A (respectively) in mature dentate granule cells and investigated hippocampus-dependent contextual memory and long-term plasticity at mossy fiber synapses. We found that depletion of IFT20 in these cells significantly impaired context-dependent fear-related memory. Furthermore, we tested synaptic plasticity of mossy fiber synapses in area CA3 and found increased long-term potentiation upon depletion of IFT20 or disruption of Kif3A. Our findings suggest a role of primary cilia in the memory function of mature dentate granule cells, which may result from abnormal mossy fiber synaptic plasticity. A direct link between the primary cilia of mature dentate granule cells and behavior will require further investigation using independent approaches to manipulate primary cilia.
Improving protein content and quality by over-expressing artificially synthetic fusion proteins with high lysine and threonine constituent in rice plants
Authors: Jiang Shu-Ye , Ma Ali , Xie Lifen , Ramachandran Srinivasan
Published: September 2016

Rice grains are rich in starch but low in protein with very low level of both lysine and threonine. Thus, it is important to further improve protein quality and quantity, especially to increase lysine and threonine content in rice grains. We artificially synthesized two new genes by fusing endogenous rice genes with lysine (K)/threonine (T) motif (TKTKK) coding sequences. They were designated asTKTKK1andTKTKK2and their encoded proteins consist of 73.1% and 83.5% of lysine/threonine, respectively. These two genes were under the control of 35S promoter and were independently introduced into the rice genome to generate transgenic plants. Our data showed that overexpression ofTKTKK1generated stable proteins with expected molecular weight and the transgenic rice seeds significantly increased lysine, threonine, total amino acids and crude protein content by 33.87%, 21.21%, 19.43% and 20.45%, respectively when compared with wild type control; significant improvement was also observed in transgenic rice seeds overexpressingTKTKK2. However, limited improvement in protein quality and quantity was observed in transgenic seeds carrying tandom array of these two new genes. Our data provide the basis and alternative strategy on further improving protein quality and quantity in other crops or vegetable plants by synthetic biology.
Expression of B4GALNT1, an essential glycosyltransferase for the synthesis of complex gangliosides, suppresses BACE1 degradation and modulates APP processing
Authors: Yamaguchi Tokiaki , Yamauchi Yoshio , Furukawa Keiko , Ohmi Yuhsuke , Ohkawa Yuki , Zhang Qing , Okajima Tetsuya , Furukawa Koichi
Published: September 2016

Alzheimer’s disease (AD) is the most prevalent form of dementia characterized by the extracellular accumulation of amyloid β (Aβ) peptides, which are produced by proteolytic cleavages of amyloid precursor protein (APP). Gangliosides are involved in AD pathophysiology including Aβ deposition and APP processing, yet the detailed mechanisms are not fully understood. Here we examined how changes in the carbohydrate moiety of gangliosides alter APP processing in human melanoma cells, neuroectoderm-derived cells. We showed that forced expression of GD2, GM2 or GM1 (by introducing B4GALNT1 cDNA into cells not expressing this glycosyltransferase) results in increases of α- and β-site cleavages of APP with a prominent increase in β-cleavage. We also showed that β-site APP cleaving enzyme 1 (BACE1) protein is highly protected from the degradation in cells expressing these gangliosides, thereby increasing the expression of this protein. Unexpectedly, adding gangliosides exogenously altered neither BACE1 levels nor β-site cleavage. The stabilisation of BACE1 protein led to the increase of this protein in lipid rafts, where BACE1 processes APP. Based on the current results, we propose a hitherto undisclosed link between ganglioside expression and AD; the expression of B4GALNT1 positively regulates the β-site cleavage by mainly inhibiting the lysosomal degradation of BACE1 protein.
Plant virus infections control stomatal development
Authors: Murray Rose R. , Emblow Mark S. M. , Hetherington Alistair M. , Foster Gary D.
Published: September 2016

Stomata are important regulators of carbon dioxide uptake and transpirational water loss. They also represent points of vulnerability as bacterial and fungal pathogens utilise this natural opening as an entry portal and thus have an increasingly complex relationship. Unlike the situation with bacterial and fungal pathogens, we know very little about the role of stomata in viral infection. Here we report findings showing that viral infection influences stomatal development in two susceptible host systems (Nicotiana tabacum with TMV (Tobacco mosaic virus) and Arabidopsis thaliana with TVCV (Turnip vein-clearing virus)), but not in resistant host systems (Nicotiana glutinosa and Chenopodium quinoa with TMV). Virus infected plants had significantly lower stomatal indices in systemic leaves of susceptible systems; N. tabacum 9.8% reduction and A. thaliana 12.3% reduction, but not in the resistant hosts. Stomatal density in systemic leaves was also significantly reduced in virus infected A. thaliana by 19.6% but not in N. tabacum or the resistant systems. In addition, transpiration rate was significantly reduced in TMV infected N. tabacum.
Various nanoparticle morphologies and surface properties of waterborne polyurethane controlled by water
Authors: Zhou Xing , Fang Changqing , Lei Wanqing , Du Jie , Huang Tingyi , Li Yan , Cheng Youliang
Published: September 2016

Water plays important roles in organic reactions such as polyurethane synthesis, and the aqueous solution environment affects polymer morphology and other properties. This paper focuses on the morphology and surface properties of waterborne polyurethane resulting from the organic reaction in water involving different forms (solid and liquid), temperatures and aqueous solutions. We provide evidence from TEM observations that the appearance of polyurethane nanoparticles in aqueous solutions presents diverse forms, including imperfect spheres, perfect spheres, perfect and homogenous spheres and tubes. Based on the results on FTIR, GPC, AFM and XRD experiments, we suggest that the shape of the nanoparticles may be decided by the crimp degree (i.e., the degree of polyurethane chains intertangling in the water environment) and order degree, which are determined by the molecular weight (Mn) and hydrogen bonds. Meanwhile, solid water and high-temperature water can both reduce hard segments that gather on the polyurethane film surface to reduce hydrophilic groups and produce a soft surface. Our findings show that water may play key roles in aqueous polymer formation and bring order to molecular chains.
Kinetic ways of tailoring phases in high entropy alloys
Authors: He Feng , Wang Zhijun , Li Yiyan , Wu Qingfeng , Li Junjie , Wang Jincheng , Liu C. T.
Published: September 2016

The comprehensive performance of high entropy alloys (HEAs) depends on the phase selection significantly. However, up to now, investigations of the phase selection in HEAs mainly focused on the thermodynamic equilibrium phase, while kinetic ways of tailoring the phases in HEAs are seldom considered. In HEAs, the kinetics of sluggish diffusion and the numerous possible phases make the kinetics of phase transformation more complex and intriguing. Here, the kinetic effect in CoCrFeNiTi0.4 HEAs was investigated to reveal the possibility of controlling phase selection via kinetic ways for HEAs. The σ, γ′ and R phases in the CoCrFeNiTi0.4 HEA can be controlled under different cooling rate both in solidification and solid transformation. The theoretical analyses revealed the kinetic effect on phase selection. The method proposed here, tailoring the phases with different kinetic ways, could be used to prepare promising HEAs with very rich composition design.
An intracellular protein delivery platform based on glutathione-responsive protein nanocapsules
Authors: Li Jie , Zhang Linlin , Liu Yang , Wen Jing , Wu Di , Xu Duo , Segura Tatiana , Jin Jing , Lu Yunfeng , Wang Hui
Published: September 2016

We reported an efficient strategy for the intracellular delivery of proteins based on assembling proteins with a self-crosslinkable polymer. The disulfide-crosslinking structure enhances the stability of the protein–polymer assembly, and also allows effective dissociation of the assembly in response to glutathione.
A bio-inspired enantioselective small-molecule artificial receptor for β adrenergic agonists and antagonists and its application for enantioselective extraction
Authors: Fuentes de Arriba Ángel L. , Simón Luis , Rubio Omayra H. , Monleón Laura M. , Alcázar Victoria , Sanz Francisca , Raposo César A. , Morán Joaquín R.
Published: September 2016

An enantiomeric inhalation! Inspired by the β adrenergic receptor, a small-molecule artificial receptor allows the chiral extraction of broncho/vaso dilator drugs.
Water-structuring molecules and nanomaterials enhance radiofrequency heating in biologically relevant solutions
Authors: Lara Nadia C. , Haider Asad A. , Ho Jason C. , Wilson Lon J. , Barron Andrew R. , Curley Steven A. , Corr Stuart J.
Published: September 2016

For potential applications in nano-mediated radiofrequency cancer hyperthermia, the nanomaterial under investigation must increase the heating of any aqueous solution in which it is suspended when exposed to radiofrequency electric fields.
Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins
Authors: Gunnam Anilkumar , Suresh Kuthuru , Ganduri Ramesh , Nangia Ashwini
Published: September 2016

The transformation of zwitterionic Sparfloxacin (SPX) in its hydrate structure to a neutral anhydrate form is achieved by crystal engineering using the paraben coformer as the driver for proton migration. Here paraben acts as a “proton migrator” for the ionic to neutral transformation.
Picolinic acids as β-exosite inhibitors of botulinum neurotoxin A light chain
Authors: Bremer Paul T. , Xue Song , Janda Kim D.
Published: September 2016

A series of novel substituted picolinic acids demonstrated low micromolar inhibition of botulinum neurotoxin A light chain at the β-exosite.
Stability of metal–organic frameworks under gamma irradiation
Authors: Volkringer C. , Falaise C. , Devaux P. , Giovine R. , Stevenson V. , Pourpoint F. , Lafon O. , Osmond M. , Jeanjacques C. , Marcillaud B. , Sabroux J. C. , Loiseau T.
Published: September 2016

We report the study of the resistance of archetypal MOFs (MILs, HKUST-1, UiO-66, and ZIF-8) under gamma irradiation.
Cubic superstructures composed of PtPd alloy nanocubes and their enhanced electrocatalysis for methanol oxidation
Authors: Zhou Lin-Nan , Zhang Xiao-Ting , Wang Ze-Hong , Guo Shaojun , Li Yong-Jun
Published: September 2016

A cubic superstructure of PtPd alloy nanocubes with superior electrocatalytic activity towards methanol oxidation was produced in a one-pot synthesis by spontaneously manipulating the reaction kinetics.
Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells
Authors: Mera-Adasme Raúl , Xu Wen-Hua , Sundholm Dage , Mendizabal Fernando
Published: September 2016

Solar power is a strong alternative to the currently used fossil fuels in order to satisfy the world's energy needs.
The role of relative rate constants in determining surface state phenomena at semiconductor–liquid interfaces
Authors: Iqbal Asif , Hossain Md. Sazzad , Bevan Kirk H.
Published: September 2016

Theoretical determination of surface state occupation statistics in semiconductor–liquid junctions to capture the non-trivial trends generally observed in the experiments.
Reduced overpotentials for electrocatalytic water splitting over Fe- and Ni-modified BaTiO3
Authors: Artrith Nongnuch , Sailuam Wutthigrai , Limpijumnong Sukit , Kolpak Alexie M.
Published: September 2016

Transition-metal doping can significantly improve the catalytic activity of BaTiO3 for water oxidation. Modification of earth-abundant perovskites can be a promising avenue towards inexpensive catalysts for water electrolysis.
Band-structure engineering in conjugated 2D polymers
Authors: Gutzler Rico
Published: September 2016

The band structures of several conjugated 2D polymers are calculated through DFT and the influence of the polymer's repeat unit on its electronic structure is discussed.
A highly efficient g-C3N4/SiO2 heterojunction: the role of SiO2 in the enhancement of visible light photocatalytic activity
Authors: Hao Qiang , Niu Xiuxiu , Nie Changshun , Hao Simeng , Zou Wei , Ge Jiangman , Chen Daimei , Yao Wenqing
Published: September 2016

SiO2, an insulator, hardly has any photocatalytic acitivity due to its intrinsic property, and it is generally used as a hard template to increase the surface area of catalysts.
Polydatin attenuatesd-galactose-induced liver and brain damage through its anti-oxidative, anti-inflammatory and anti-apoptotic effects in mice
Authors: Xu Lie-Qiang , Xie You-Liang , Gui Shu-Hua , Zhang Xie , Mo Zhi-Zhun , Sun Chao-Yue , Li Cai-Lan , Luo Dan-Dan , Zhang Zhen-Biao , Su Zi-Ren , Xie Jian-Hui
Published: September 2016

Accumulating evidence has shown that chronic injection ofd-galactose (d-gal) can mimic natural aging, with accompanying liver and brain injury.
Accurate high throughput quantification of selenium in biological samples – the potential of combining isotope dilution ICP-tandem mass spectrometry with flow injection
Authors: Bamonti Luca , Theiner Sarah , Rohr-Udilova Nataliya , Keppler Bernhard K. , Koellensperger Gunda
Published: September 2016

Different strategies for the analysis of selenium in human serum were validated by tandem ICP-MS and isotope dilution.
Liposome antibody–ionophore conjugate antiproliferative activity increases by cellular metallostasis alteration
Authors: Accardo Antonella , Del Zoppo Luisa , Morelli Giancarlo , Condorelli Daniele F. , Barresi Vincenza , Musso Nicolò , Spampinato Giorgia , Bellia Francesco , Tabbì Giovanni , Rizzarelli Enrico
Published: September 2016

Carnosine derivative containing liposomes functionalized with the Fab' fragment of Trastuzumab were synthesized.
Rationalizing the suitability of rhodamines as chromophores in dye-sensitized solar cells: a systematic molecular design study
Authors: Pepe Giulio , Cole Jacqueline M. , Waddell Paul G. , Perry James I.
Published: September 2016

Rhodamines are analyzed to judge their suitability in dye sensitized solar cells, revealing their predominant auxiliary role with DSC-functional co-sensitizers.
g-C3N4modified flower-like WO3–Bi2WO6microspheres with enhanced photoelectrocatalytic activity
Authors: Li Junqi , Hao Hongjuan , Zhou Jian , Zhu Zhenfeng
Published: September 2016

g-C3N4modified flower-like WO3–Bi2WO6microspheres were synthesized, which show excellent photoelectrocatalytic activity.
Differences between carbon suboxide and its heavier congeners as ligands in transition metal complexes: a theoretical study
Authors: Zhang Zhong , Pu Liang , Zhao Xiao , Li Qian-shu , King R. Bruce
Published: September 2016

The lowest energy structures for the [M](C3E2) complexes ([M] = Ir, Ni, Pt surrounded by ligands such as phosphines and halides; E = O, S, Se) are compared.
Improved photodynamic activity of a dual phthalocyanine–ALA photosensitiser
Authors: Pavani Christiane , Francisco Cláudia M. L. , Gobo Nicholas R. S. , de Oliveira Kleber T. , Baptista Mauricio S.
Published: September 2016

The higher efficiency of the dual photosensitiser is a consequence of the generation of two photosensitisers inside the cell, which are activated concomitantly.
Synthesis of different-sized SBA-15 nanoparticles and their fluoride release performances from poly(methyl methacrylate) dental restorative resin
Authors: Wang Aili , Ji Yuqin , Yin Hengbo , Liu Shuxin
Published: September 2016

Mesoporous SBA-15 nanoparticles with different sizes were synthesized and were found to effectively promote fluoride release from resin as a NaF carrier.
A thermally activated manganese 1,4-benzenedicarboxylate metal organic framework with high anodic capability for Li-ion batteries
Authors: Hu Huiping , Lou Xiaobing , Li Chao , Hu Xiaoshi , Li Tian , Chen Qun , Shen Ming , Hu Bingwen
Published: September 2016

Mn-1,4-BDC@200 was synthesized, with a capacity of 974 mA h g−1after 100 cycles at a rate of 100 mA g−1.
Metal-free one-pot α-carboxylation of primary alcohols
Authors: van der Heijden Gydo , Kraakman Jasper , Biemolt Jasper , Ruijter Eelco , Orru Romano V. A.
Published: September 2016

An efficient metal-free procedure for the formal α-carboxylation of primary alcohols has been developed.
Can the analyte-triggered asymmetric autocatalytic Soai reaction serve as a universal analytical tool for measuring enantiopurity and assigning absolute configuration?
Authors: Welch Christopher J. , Zawatzky Kerstin , Makarov Alexey A. , Fujiwara Satoshi , Matsumoto Arimasa , Soai Kenso
Published: September 2016

Progress toward a universal translator for stereochemistry.
A transparent embedded Cu/Au-nanomesh electrode on flexible polymer film substrates
Authors: Jung Pil-Hoon , Kim Yang Doo , Choi Hak-Jong , Sung Young Hoon , Lee Heon
Published: September 2016

We report transparent embedded Cu/Au-nanomesh electrodes with high transmittance and electrical conductivity. Their embedded structure also endows these flexible transparent electrodes with oxidation resistance and good mechanical strength.
A step ahead towards the green synthesis of monodisperse gold nanoparticles: the use of crude glycerol as a greener and low-cost reducing agent
Authors: Parveen Rashida , Tremiliosi-Filho Germano
Published: September 2016

Crude glycerol obtained directly from transesterification reaction was employed as a low-cost and greener reducing agent to prepare monodisperse AuNPs (∼8 nm).
Pressure induced structural and spin state transitions in Sr3Fe2O5
Authors: Xu Yuanhui , Hao Xianfeng , Liu Shanshan , Wang Jing , Shi Chunxiang , Gao Faming , Liu Yongshan
Published: September 2016

The effect of pressure on the structural, electronic and magnetic properties of the two-legged spin ladder structure Sr3Fe2O5 was investigated, using density functional theory within the generalized gradient approximation (GGA) + U method.
Toxicity reduction of imidazolium-based ionic liquids by the oxygenation of the alkyl substituent
Authors: Vraneš M. , Tot A. , Jovanović-Šanta S. , Karaman M. , Dožić S. , Tešanović K. , Kojić V. , Gadžurić S.
Published: September 2016

Five different salicylate based ionic liquids were prepared in order to study their toxicity. Aquatic organisms (A. salina) and a human non-tumor cell line (normal fetal lung fibroblasts, MRC-5) were used for that purpose.
Cisplatin and doxorubicin dual-loaded mesoporous silica nanoparticles for controlled drug delivery
Authors: Li Hanwen , Yu Huijuan , Zhu Caiying , Hu Jianhua , Du Ming , Zhang Fayong , Yang Dong
Published: September 2016

Multicomponent therapeutic platforms have been proposed to minimize dosage of each drug and reduce toxicity, leading to achieving a synergistic effect and maximizing therapeutic efficacy.
Quantitative analysis of “Δl = ls − lg” to coherent random lasing in solution systems with a series of solvents ordered by refractive index
Authors: Yin Leicheng , Liang Yunyun , Yu Bo , Wu Yeping , Ma Jiajun , Xie Kang , Zhang Wei , Zou Gang , Hu Zhijia , Zhang Qijin
Published: September 2016

Random laser action affected by solvents ordered by refractive index in solution system.
Mangifera indica, Ficus religiosa and Polyalthia longifolia leaf extract-assisted green synthesis of graphene for transparent highly conductive film
Authors: Chamoli Pankaj , Sharma Raghunandan , Das Malay K. , Kar Kamal K.
Published: September 2016

A green approach to synthesize transparent conducting films of graphene nanosheets by reduction of graphene oxide is presented.
Ultrasmall SnS nanoparticles embedded in carbon spheres: a high-performance anode material for sodium ion batteries
Authors: Wang Jiwei , Lu Yanying , Zhang Ning , Xiang Xingde , Liang Jing , Chen Jun
Published: September 2016

Spherical nano-SnS/C composite, which is synthesized by low-cost and one-pot method, exhibits ultra-high rate performance as an anode material for SIBs.
Leukemia stem cells, direct targeting of CD123 based on the nano-smart polymer PMBN
Authors: Alambin F. , Motamed Fath P. , Ebrahimi Hosseinzadeh B. , Hatamian Zarmi A. , Sahraeian R. , Yazdian F.
Published: September 2016

Direct targeting of LSCs based on PMBN-IL3 smart nano carrier with incorporated hydrophobic agents PTX and GA-A leads to apoptosis.
Structure and microwave dielectric characteristics of Sr(La1−xSmx)2Al2O7ceramics
Authors: Yuan Zhi Qi , Liu Bing , Liu Xiao Qiang , Chen Xiang Ming
Published: September 2016

Sr(La1−xSmx)2Al2O7(0 ≤x≤ 1) ceramics were synthesized by a standard solid-state reaction method, and the microwave dielectric characteristics were investigated together with the densification behavior, microstructure and phase composition.
Integration of p-type β-In2S3 thin films on III-nitride heterostructures for multiple functional applications
Authors: Liu Hongfei , Dou Qingqing , Chua Chin Sheng
Published: September 2016

We report conversion of n-type InN thin films on III-nitride heterostructures to p-type β-In2S3 by postgrowth heat treatments in a sulfur-vapor environment and address their photoelectrical and photocatalytic properties for functional integrations.
Gas transport properties and characterization of UV crosslinked poly(phenylene oxide-co-arylene ether ketone) copolymers
Authors: Rowlett Jarrett R. , Liu Qiang , Zhang Wenrui , Moon Joshua D. , Dose Michelle E. , Riffle Judy S. , Freeman Benny D. , McGrath James E.
Published: September 2016

UV-crosslinkable ketone containing PPO copolymers show increased gas selectivity, with transport properties and crosslinking density dependent on ketone content.
Genetically engineering of Escherichia coli and immobilization on electrospun fibers for drug delivery purposes
Authors: Xie Songzhi , Tai Sihan , Song Haixing , Luo Xiaoming , Zhang Hong , Li Xiaohong
Published: September 2016

Engineered EcN bacteria were entrapped in core-sheath fibersviacoaxial electrospinning or grafted on the fiber surfaceviacovalent binding or affinity adsorption.
3D cell clusters combined with a bioreactor system to enhance the drug metabolism activities of C3A hepatoma cell lines
Authors: Chen Ching-Yun , Chiang Tsai-Shin , Chiou Ling-Ling , Lee Hsuan-Shu , Lin Feng-Huei
Published: September 2016

Since clinical drugs need to be approved for their liver metabolism efficiency before commercialization, a powerful in vitro drug-screening platform is imperative and indispensable for the clinical medicine and pharmaceutical industries.
High performance MgB2 superconducting wires fabricated by improved internal Mg diffusion process at a low temperature
Authors: Liu Yongchang , Cheng Fang , Qiu Wenbin , Ma Zongqing , Al Hossain M. Shahriar , Dou Shi Xue
Published: September 2016

Cu coating treatment can significantly enhance the formation of MgB2 layer within internal Mg diffusion processed superconducting wire.
Optical thermometry of MoS2:Eu3+ 2D luminescent nanosheets
Authors: Liu Jing , Van Deun Rik , Kaczmarek Anna M.
Published: September 2016

We report a novel 2D MoS2:Eu3+ optical temperature sensing material, which has remarkable temperature sensing properties. A significant change in the emission color (purple to red) was observed in the temperature range of 60–360 K.
Large scale, highly efficient and self-powered UV photodetectors enabled by all-solid-state n-TiO2nanowell/p-NiO mesoporous nanosheet heterojunctions
Authors: Zheng Lingxia , Teng Feng , Zhang Zhiming , Zhao Bin , Fang Xiaosheng
Published: September 2016

Self-powered and large scale photodetectors are successfully achieved by integrating novel TiO2nanowell layers with NiO nanosheets in a flower-like morphology.
Design of smart neonatal health monitoring system using SMCC
Authors: De Debashis , Mukherjee Anwesha , Sau Arkaprabha , Bhakta Ishita
Published: September 2016

Automated health monitoring and alert system development is a demanding research area today. Most of the currently available monitoring and controlling medical devices are wired which limits freeness of working environment. Wireless sensor network (WSN) is a better alternative in such an environment. Neonatal intensive care unit is used to take care of sick and premature neonates. Hypothermia is an independent risk factor for neonatal mortality and morbidity. To prevent it an automated monitoring system is required. In this Letter, an automated neonatal health monitoring system is designed using sensor mobile cloud computing (SMCC). SMCC is based on WSN and MCC. In the authors’ system temperature sensor, acceleration sensor and heart rate measurement sensor are used to monitor body temperature, acceleration due to body movement and heart rate of neonates. The sensor data are stored inside the cloud. The health person continuously monitors and accesses these data through the mobile device using an Android Application for neonatal monitoring. When an abnormal situation arises, an alert is generated in the mobile device of the health person. By alerting health professional using such an automated system, early care is provided to the affected babies and the probability of recovery is increased.
Accuracy of expressions for the fill factor of a solar cell in terms of open-circuit voltage and ideality factor
Authors: Leilaeioun Mehdi , Holman Zachary C.
Published: September 2016

An approximate expression proposed by Green predicts the maximum obtainable fill factor (FF) of a solar cell from its open-circuit voltage (Voc). The expression was originally suggested for silicon solar cells that behave according to a single-diode model and, in addition to Voc, it requires an ideality factor as input. It is now commonly applied to silicon cells by assuming a unity ideality factor—even when the cells are not in low injection—as well as to non-silicon cells. Here, we evaluate the accuracy of the expression in several cases. In particular, we calculate the recombination-limited FF and Voc of hypothetical silicon solar cells from simulated lifetime curves, and compare the exact FF to that obtained with the approximate expression using assumed ideality factors. Considering cells with a variety of recombination mechanisms, wafer doping densities, and photogenerated current densities reveals the range of conditions under which the approximate expression can safely be used. We find that the expression is unable to predict FF generally: For a typical silicon solar cell under one-sun illumination, the error is approximately 6% absolute with an assumed ideality factor of 1. Use of the expression should thus be restricted to cells under very low or very high injection.
Two-dimensional electronic spectroscopy can fully characterize the population transfer in molecular systems
Authors: Dostál Jakub , Benešová Barbora , Brixner Tobias
Published: September 2016

Excitation energy transfer in complex systems often proceeds through series of intermediate states. One of the goals of time-resolved spectroscopy is to identify the spectral signatures of all of them in the acquired experimental data and to characterize the energy transfer scheme between them. It is well known that in the case of transient absorption spectra such decomposition is ambiguous even if many simplifying considerations are taken. In contrast to transient absorption, absorptive 2D spectra intuitively resemble population transfer matrices. Therefore, it seems possible to decompose the 2D spectra unambiguously. Here we show that all necessary information is encoded in the combination of absorptive 2D and linear absorption spectra. We set up a simple model describing a broad class of absorptive 2D spectra and prove analytically that they can be inverted uniquely towards physical parameters fully determining the species-associated spectra of individual constituents together with all connecting intrinsic rate constants. Due to the matrix formulation of the model, it is suitable for fast computer calculation necessary to efficiently perform the inversion numerically by fitting the combination of experimental 2D and absorption spectra. Moreover, the model allows for decomposition of the 2D spectrum into its stimulated emission, ground-state bleach, and excited-state absorption components almost unambiguously. The numerical procedure is illustrated exemplarily.