bluuebunny/crossref_metadata_2025 huggingface dataset:
A new description of epileptic seizures based on dynamic analysis of a thalamocortical model
Authors: Sohanian Haghighi H. , Markazi A. H. D.
Published: October 2017

Increasing evidence suggests that the brain dynamics can be interpreted from the viewpoint of nonlinear dynamical systems. The aim of this paper is to investigate the behavior of a thalamocortical model from this perspective. The model includes both cortical and sensory inputs that can affect the dynamic nature of the model. Driving response of the model subjected to various harmonic stimulations is considered to identify the effects of stimulus parameters on the cortical output. Detailed numerical studies including phase portraits, Poincare maps and bifurcation diagrams reveal a wide range of complex dynamics including period doubling and chaos in the output. Transition between different states can occur as the stimulation parameters are changed. In addition, the amplitude jump phenomena and hysteresis are shown to be possible as a result of the bending in the frequency response curve. These results suggest that the jump phenomenon due to the brain nonlinear resonance can be responsible for the transitions between ictal and interictal states.
Blue carbon stores in tropical seagrass meadows maintained under green turtle grazing
Authors: Johnson Robert A. , Gulick Alexandra G. , Bolten Alan B. , Bjorndal Karen A.
Published: October 2017

Seagrass meadows are important sites for carbon storage. Green turtles (Chelonia mydas) are marine megaherbivores that consume seagrass throughout much of their global range. With successful conservation efforts, turtle abundance will increase, leading to more meadows being returned to their natural grazed state. There is concern this may lead to a loss of carbon stored in these systems, but the effects of green turtle grazing on seagrass ecosystem carbon dynamics have not been investigated. Here we experimentally show that despite 79% lower net ecosystem production (NEP) following grazing (24.7 vs. 119.5 mmol C m−2 d−1) in a Caribbean Thalassia testudinum seagrass meadow, grazed areas maintained net positive metabolic carbon uptake. Additionally, grazing did not change the meadow production to respiration ratio, indicating it did not stimulate remineralization of sediment carbon stores. Compared to other published estimates of seagrass NEP (median: 20.6 mmol C m−2 d−1), NEP in grazed Caribbean T. testudinum meadows is similar to that in many other ungrazed systems. Our results demonstrate that while grazing does decrease potential future carbon sequestration as a result of lower NEP, it does not promote a metabolic release of current carbon stocks.
De novo mutations of TUBA3D are associated with keratoconus
Authors: Hao Xiao-dan , Chen Peng , Zhang Yang-yang , Li Su-xia , Shi Wei-yun , Gao Hua
Published: October 2017

Keratoconus (KC) is a common degenerative corneal disease, and heredity plays a key role in its development. Although few genes are known to cause KC, a large proportion of disease-causing genes remain to be revealed. Here, we report the identification of TUBA3D as a novel gene linked to KC. Using whole-exome sequencing of a twins pedigree, a novel de novo mutation (c.31 C > T, p.Gln11stop) in TUBA3D gene was identified. A screening performed in 200 additional unrelated patients with KC revealed another two mutations (c.201insTT, p.Val68Leufs*2; c.*2 G > A) in two patients. TUBA3D was expressed highly in the cornea, and the twins had lower TUBA3D expression and higher UPA and MMP1 expressions than the normal parents. Through function prediction and in vitro cell experiment, we further demonstrated that the mutant proteins of TUBA3D were unstable and could lead to human corneal fibroblast cells performing higher MMPs expression and oxidative stress. These changes thus reduce the amount of extracellular matrices within corneas and undoubtedly play a major role in stromal thinning, which is characteristic of KC corneas. Our study showed that TUBA3D is a new gene that causes KC, thus supporting the evidence that this protein has an additional function into the human cornea.
Stromal striae: a new insight into corneal physiology and mechanics
Authors: Grieve Kate , Ghoubay Djida , Georgeon Cristina , Latour Gael , Nahas Amir , Plamann Karsten , Crotti Caroline , Bocheux Romain , Borderie Marie , Nguyen Thu-Mai , Andreiuolo Felipe , Schanne-Klein Marie-Claire , Borderie Vincent
Published: October 2017

We uncover the significance of a previously unappreciated structural feature in corneal stroma, important to its biomechanics. Vogt striae are a known clinical indicator of keratoconus, and consist of dark, vertical lines crossing the corneal depth. However we detected stromal striae in most corneas, not only keratoconus. We observed striae with multiple imaging modalities in 82% of 118 human corneas, with pathology-specific differences. Striae generally depart from anchor points at Descemet’s membrane in the posterior stroma obliquely in a V-shape, whereas in keratoconus, striae depart vertically from posterior toward anterior stroma. Optical coherence tomography shear wave elastography showed discontinuity of rigidity, and second harmonic generation and scanning electron microscopies showed undulation of lamellae at striae locations. Striae visibility decreased beyond physiological pressure and increased beyond physiological hydration. Immunohistology revealed striae to predominantly contain collagen VI, lumican and keratocan. The role of these regions of collagen VI linking sets of lamellae may be to absorb increases in intraocular pressure and external shocks.
Exceptional 20th century glaciological regime of a major SE Greenland outlet glacier
Authors: Andresen Camilla S. , Kokfelt Ulla , Sicre Marie-Alexandrine , Knudsen Mads Faurschou , Dyke Laurence M. , Klein Vincent , Kaczmar Fanny , Miles Martin W. , Wangner David
Published: October 2017

The early 2000s accelerated ice-mass loss from large outlet glaciers in W and SE Greenland has been linked to warming of the subpolar North Atlantic. To investigate the uniqueness of this event, we extend the record of glacier and ocean changes back 1700 years by analyzing a sediment core from Sermilik Fjord near Helheim Glacier in SE Greenland. We show that multidecadal to centennial increases in alkenone-inferred Atlantic Water SSTs on the shelf occurred at times of reduced solar activity during the Little Ice Age, when the subpolar gyre weakened and shifted westward promoted by atmospheric blocking events. Helheim Glacier responded to many of these episodes with increased calving, but despite earlier multidecadal warming episodes matching the 20th century high SSTs in magnitude, the glacier behaved differently during the 20th century. We suggest the presence of a floating ice tongue since at least 300 AD lasting until 1900 AD followed by elevated 20th century glacier calving due to the loss of the tongue. We attribute this regime shift to 20th century unprecedented low sea-ice occurrence in the East Greenland Current and conclude that properties of this current are important for the stability of the present ice tongues in NE Greenland.
Dynamics of the stochastic chemostat with Monod-Haldane response function
Authors: Wang Liang , Jiang Daqing , Wolkowicz Gail S. K. , O’Regan Donal
Published: October 2017

The stochastic chemostat model with Monod-Haldane response function is perturbed by environmental white noise. This model has a global positive solution. We demonstrate that there is a stationary distribution of the stochastic model and the system is ergodic under appropriate conditions, on the basis of Khasminskii’s theory on ergodicity. Sufficient criteria for extinction of the microbial population in the stochastic system are established. These conditions depend strongly on the Brownian motion. We find that even small scale white noise can promote the survival of microorganism populations, while large scale noise can lead to extinction. Numerical simulations are carried out to illustrate our theoretical results.
Mapping the expression of the sex determining factor Doublesex1 in Daphnia magna using a knock-in reporter
Authors: Nong Quang Dang , Mohamad Ishak Nur Syafiqah , Matsuura Tomoaki , Kato Yasuhiko , Watanabe Hajime
Published: October 2017

Sexually dimorphic traits are common and widespread among animals. The expression of the Doublesex-/Mab-3-domain (DM-domain) gene family has been widely studied in model organisms and has been proven to be essential for the development and maintenance of sex-specific traits. However, little is known about the detailed expression patterns in non-model organisms. In the present study, we demonstrated the spatiotemporal expression of the DM-domain gene, doublesex1 (dsx1), in the crustacean Daphnia magna, which parthenogenetically produces males in response to environmental cues. We developed a dsx1 reporter strain to track dsx1 activity in vivo by inserting the mCherry gene into the dsx1 locus using the TALEN-mediated knock-in approach. After confirming dsx1 expression in male-specific traits in juveniles and adults, we performed time-lapse imaging of embryogenesis. Shortly after gastrulation stage, a presumptive primary organiser, named cumulus, first showed male-specific dsx1 expression. This cell mass moved to the posterior growth zone that distributes dsx1-expressing progenitor cells across the body during axial elongation, before embryos start male-specific dsx1 expression in sexually dimorphic structures. The present study demonstrated the sex-specific dsx1 expression in cell populations involved in basal body formation.
Identification of differentially expressed circular RNAs in human monocyte derived macrophages response to Mycobacterium tuberculosis infection
Authors: Huang Zikun , Su Rigu , Deng Zhen , Xu Jianqing , Peng Yiping , Luo Qing , Li Junming
Published: October 2017

Macrophages act as the first line of host immune defense against Mycobacterium tuberculosis (Mtb). Recent studies have demonstrated circular RNAs (circRNAs) are implicated in a variety of physiological and pathological processes; however, the role of circRNAs in macrophages response to Mtb infection remain unknown. To address this issue, here we characterized circRNAs expression profiles in human monocyte derived macrophages (MDMs) response to Mtb infection using microarray assay. Our results revealed that many circRNAs were differentially expressed in human MDMs after Mtb infection; of these, 32 circRNAs were up-regulated and 110 were down-regulated. Real time PCR results were generally consistent with the microarray data. Furthermore, we found that hsa_circ_0043497 and hsa_circ_0001204 may be effective diagnostic biomarkers for TB. This study provides the first evidence that circRNAs alterations are involved in human MDMs response to TB infection and reveal potential targets for diagnostics and the treatment of TB.
Characterization of old RHDV strains by complete genome sequencing identifies a novel genetic group
Authors: Lopes Ana M. , Silvério Diogo , Magalhães Maria J. , Areal Helena , Alves Paulo C. , Esteves Pedro J. , Abrantes Joana
Published: October 2017

Rabbit hemorrhagic disease (RHD) is a veterinary disease that affects the European rabbit and has a significant economic and ecological negative impact. In Portugal, rabbit hemorrhagic disease virus (RHDV) was reported in 1989 and still causes enzootic outbreaks. Several recombination events have been detected in RHDV strains, including in the first reported outbreak. Here we describe the occurrence of recombination in RHDV strains recovered from rabbit and Iberian hare samples collected in the mid-1990s in Portugal. Characterization of full genomic sequences revealed the existence of a single recombination breakpoint at the boundary of the non-structural and the structural encoding regions, further supporting the importance of this region as a recombination hotspot in lagoviruses. Phylogenetic analysis showed that in the structural region, the recombinant strains were similar to pathogenic G1 strains, but in the non-structural region they formed a new group that diverged ~13% from known strains. No further reports of such group exist, but this recombination event was also detected in an Iberian hare that was associated with the earliest species jump in RHDV. Our results highlight the importance of the characterization of full genomes to disclose RHDV evolution and show that lagoviruses’ diversity has been significantly undersampled.
Energetic mitochondrial failing in vitiligo and possible rescue by cardiolipin
Authors: Dell’Anna Maria Lucia , Ottaviani Monica , Kovacs Daniela , Mirabilii Simone , Brown David A. , Cota Carlo , Migliano Emilia , Bastonini Emanuela , Bellei Barbara , Cardinali Giorgia , Ricciardi Maria Rosaria , Tafuri Agostino , Picardo Mauro
Published: October 2017

Vitiligo is characterized by death or functional defects of epidermal melanocytes through still controversial pathogenic process. Previously, we showed that mitochondria-driven pre-senescent phenotype diminishes the capability of vitiligo melanocytes to cope with stressful stimuli. In the current study, we investigated markers of mitochondrial energy metabolism including the PGC1a axis, and then we determined the index of mitochondrial impairment using a cytomic approach. We found in cultured epidermal vitiligo melanocytes, compared to healthy ones, low ATP, increased proton leakage, and altered expression of several glycolytic enzymes (hexokinase II, pyruvic dehydrogenase kinase 1 and pyruvic kinase M2), We suggest that the low ATP production may be sufficient in steady-state conditions but it is unable to cover further needs. We also found in vitiligo melanocyrtes hyper-activation of the PGC1α axis, finalized to counteract the energy defect. Cytomic analysis, supported by MitoTracker Red pattern and ex-vivo immunohistochemistry, suggested an increased mitochondrial mass, possibly useful to ensure the essential ATP level. Finally, pharmacological cardiolipin stabilization reverted the energetic impairment, confirming the initial mitochondrial role. In conclusion, we report new insight in the pathogenetic mechanism of viitligo and indicate that the mitochondrial failure rescue by cardiolipin manipulation may be a new intriguing target in treatment development.
Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents
Authors: Ryan Paul M. , Patterson Elaine , Kent Robert M. , Stack Helena , O’Connor Paula M. , Murphy Kiera , Peterson Veronica L. , Mandal Rupasri , Wishart David S. , Dinan Timothy G. , Cryan John F. , Seeley Randy J. , Stanton Catherine , Ross R. Paul
Published: October 2017

Abstact

The gut hormone glucagon-like peptide (GLP)-1 and its analogues represent a new generation of anti-diabetic drugs, which have also demonstrated propensity to modulate host lipid metabolism. Despite this, drugs of this nature are currently limited to intramuscular administration routes due to intestinal degradation. The aim of this study was to design a recombinant microbial delivery vector for a GLP-1 analogue and assess the efficacy of the therapeutic in improving host glucose, lipid and cholesterol metabolism in diet induced obese rodents. Diet-induced obese animals received either Lactobacillus paracasei NFBC 338 transformed to express a long-acting analogue of GLP-1 or the isogenic control microbe which solely harbored the pNZ44 plasmid. Short-term GLP-1 microbe intervention in rats reduced serum low-density lipoprotein cholesterol, triglycerides and triglyceride-rich lipoprotein cholesterol substantially. Conversely, extended GLP-1 microbe intervention improved glucose-dependent insulin secretion, glucose metabolism and cholesterol metabolism, compared to the high-fat control group. Interestingly, the microbe significantly attenuated the adiposity associated with the model and altered the serum lipidome, independently of GLP-1 secretion. These data indicate that recombinant incretin-secreting microbes may offer a novel and safe means of managing cholesterol metabolism and diet induced dyslipidaemia, as well as insulin sensitivity in metabolic dysfunction.
MiR-200c regulates tumor growth and chemosensitivity to cisplatin in osteosarcoma by targeting AKT2
Authors: Liu Yang , Zhu Shu-Tao , Wang Xiao , Deng Jun , Li Wei-Hua , Zhang Peng , Liu Bing-Shan
Published: October 2017

MicroRNAs (miRNAs) expression aberration has been discovered in almost all human cancers, thus offering a group of potential diagnostic markers, prognostic factors and therapeutic targets in tumorigenesis. Now our data showed that miR-200c, which is downregulated in osteosarcoma tissues, drives chemosensitivity to cisplatin in osteosarcoma. We demonstrated that AKT2 is a direct target of miR-200c, Spearman’s rank correlation analysis showed that the expression levels of AKT2 and miR-200c in 35 pairs of osteosarcoma specimens were inversely correlated. Moreover, miR-200c inhibited cell proliferation and cell migration. Taken together, for the first time, our results demonstrate that miR-200c plays a significant role in osteosarcoma tumor growth and chemosensitivity by regulating AKT2, which may provide a novel therapeutic strategy for treatment of osteosarcoma.
Vector-independent transmembrane transport of oligodeoxyribonucleotides involves p38 mitogen activated protein kinase phosphorylation
Authors: Peng Minyuan , Li Yanming , Zhang Jian , Wu Yong , Yang Xiaoyang , Lei Ye , Ye Mao , Liu Jing , Han Xu , Kuang Yijin , Zhao Xielan , Chen Fangping
Published: October 2017

The main roles of equilibrative nucleoside transporters (ENTs) and concentrative nucleoside transporters (CNTs) are to transfer single nucleosides and analogues for the nucleic acid salvage pathway. Oligodeoxyribonucleotides (ODNs) can be transported into the cytoplasm or nucleus of cells under certain conditions. Among ODNs composed of a single type of nucleotide, the transport efficiency differs with the length and nucleotide composition of the ODNs and varies in different types of leukaemia cells; among the 5 tested random sequence ODNs and 3 aptamers with varying sequences, the data showed that some sequences were associated with significantly higher transport efficiency than others. The transport of ODNs was sodium, energy, and pH-independent, membrane protein-dependent, substrate nonspecific for ODNs and 4-nitrobenzylthioinosine (NBMPR)-insensitive, but it showed a low sensitivity to dipyridamole (IC50 = 35.44 µmol/L), distinguishing it from ENT1-4 and CNTs. The delivery efficiency of ODNs was superior to that of Lipofection and Nucleofection, demonstrating its potential applications in research or therapeutics. Moreover, this process was associated with p38 mitogen activated protein kinase (p38MAPK) instead of c-Jun N-terminal kinase (JNK) signalling pathways. We have denoted ODN transmembrane transport as equilibrative nucleic acid transport (ENAT). Overall, these findings indicate a new approach and mechanism for transmembrane transport of ODNs.
Preconditioning with far-infrared irradiation enhances proliferation, cell survival, and migration of rat bone marrow-derived stem cells via CXCR4-ERK pathways
Authors: Jeong Yun-Mi , Cheng Xian Wu , Lee Sora , Lee Kyung Hye , Cho Haneul , Kang Jung Hee , Kim Weon
Published: October 2017

Far-infrared radiation (FIR) has been shown to exert positive effects on the cardiovascular system. However, the biological effects of FIR on bone marrow-derived stem cells (BMSCs) are not understood. In the present study, BMSCs were isolated from rat femur bone marrow and cultured in vitro. To investigate the effects of an FIR generator with an energy flux of 0.13 mW/cm2 on rat BMSCs, survival of BMSCs was measured by crystal violet staining, and cell proliferation was additionally measured using Ez-Cytox cell viability, EdU, and Brd U assays. FIR preconditioning was found to significantly increase BMSC proliferation and survival against H2O2. The scratch and transwell migration assays showed that FIR preconditioning resulted in an increase in BMSC migration. qRT-PCR and Western blot analyses demonstrated that FIR upregulated Nanog, Sox2, c-Kit, Nkx2.5, and CXCR4 at both the mRNA and protein levels. Consistent with these observations, PD98059 (an ERK inhibitor) and AMD3100 (a CXCR4 inhibitor) prevented the activation of CXCR4/ERK and blocked the cell proliferation and migration induced by FIR. Overall, these findings provide the first evidence that FIR confers a real and significant benefit on the preconditioning of BMSCs, and might lead to novel strategies for improving BMSC therapy for cardiac ischemia.
A platinum catalyst deposited on a zirconia support for the design of lithium–oxygen batteries with enhanced cycling ability
Authors: Bae Seongjun , Geun Yoo Young , Park Jongseok , Park Soomin , Nam Inho , Woo Han Jeong , Yi Jonghoep
Published: October 2017

A platinum catalyst deposited onto a zirconia support with oxygen-defective sites is developed for the stabilization of the discharge product of lithium–oxygen batteries.
Catalytic asymmetric chemodivergent arylative dearomatization of tryptophols
Authors: Ma Chun , Zhang Ting , Zhou Jia-Yu , Mei Guang-Jian , Shi Feng
Published: October 2017

The first catalytic asymmetric arylative dearomatization of tryptophols has been established. By using quinone imine ketals as aryl group surrogates and modulating the reaction conditions, the cascade reaction of tryptophols with quinone imine ketals afforded two series of arylative dearomatization products in generally high yields, and excellent diastereo- and enantioselectivities.
Synthesis and reactivity of iron–dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation
Authors: Sekiguchi Yoshiya , Kuriyama Shogo , Eizawa Aya , Arashiba Kazuya , Nakajima Kazunari , Nishibayashi Yoshiaki
Published: October 2017

Newly designed and prepared iron–dinitrogen complex is found to work as a more effective catalyst toward catalytic nitrogen fixation.
Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization
Authors: Yu Qihui , Yan Zhicheng , Bao Junjie , Wang Jian-Rong , Mei Xuefeng
Published: October 2017

Cocrystallization was used as an effective approach to improve the photo-induced stability of dihydropyridine drugs. NFD·INA form I presents superior physicochemical properties compared with NFD itself.
Target and identify: triazene linker helps identify azidation sites of labelled proteins via click and cleave strategy
Authors: Lohse Jonas , Schindl Alexandra , Danda Natasha , Williams Chris P. , Kramer Karl , Kuster Bernhard , Witte Martin D. , Médard Guillaume
Published: October 2017

A method for identifying probe modification of proteinsviatandem mass spectrometry was developed.
Synthesis of an F-BODIPY [2]catenane using the chemistry of bis(dipyrrinato)metal complexes
Authors: Nisanci Bilal , Sahinoglu Sinem , Tuner Esra , Arik Mustafa , Kani İbrahim , Dastan Arif , Bozdemir Özgür Altan
Published: October 2017

Towards highly fluorescent BODIPY based mechanically interlocked molecules via the chemistry of dipyrrins.
Visible-light-mediated cleavage of polymer chains under physiological conditions via quinone photoreduction and trimethyl lock
Authors: Truong Vinh X. , Li Fanyi , Ercole Francesca , Forsythe John S.
Published: October 2017

We introduce a click and visible-light triggered unclick approach via thio-bromo reaction and hydroquinone photoreduction/trimethyl lock cleavage for polymer modifications.
Palladium-catalyzed C–H activation/C–C cross-coupling reactions via electrochemistry
Authors: Ma Cong , Zhao Chuan-Qi , Li Yi-Qian , Zhang Li-Pu , Xu Xue-Tao , Zhang Kun , Mei Tian-Sheng
Published: October 2017

Palladium-catalyzed C(sp2)–H methylation and acylation via anodic oxidation have been developed to avoid the use of stoichiometric chemical oxidants.
Rapid augmentation of vertically aligned MoO3 nanorods via microwave irradiation
Authors: Singh Kaushalendra K. , Ramakrishnan Vivek , Prabhu B. Ramya , John Neena S.
Published: October 2017

Microwave assisted rapid growth of vertically aligned hexagonal MoO3 nanorods on rigid substrates and its inter-conversion to orthorhombic form.
Preferential adsorption of the additive is not a prerequisite for cononsolvency in water-rich mixtures
Authors: Wang Jian , Wang Nian , Liu Biaolan , Bai Jia , Gong Pei , Ru Geying , Feng Jiwen
Published: October 2017

NMR studies reveal the distinct molecular interactions accounting for cononsolvency.
Electronic structure and absorption spectra of fluorescent nucleoside analogues
Authors: Valverde Danillo , Vasconcelos Sanches de Araujo Adalberto , Carlos Borin Antonio , Canuto Sylvio
Published: October 2017

tzA surrounded by water molecules. Snapshot of a sequential QM/MM simulation.
Modelling the vibrationally mediated photo-dissociation of acetylene
Authors: Robertson Christopher , Worth Graham A.
Published: October 2017

A ten state vibronic coupling Hamiltonian is constructed for acetylene and used to simulate vibrationally mediated dissociation experiments.
Role of free electrons in phosphorescence in n-type wide bandgap semiconductors
Authors: Ye H. G. , Su Z. C. , Tang F. , Chen G. D. , Wang Jian , Xu Ke , Xu S. J.
Published: October 2017

Free electrons in the conduction band make a significant contribution to long persistent phosphorescence in wide bandgap semiconductors.
Hidden complexities in the reaction of H2O2 and HNO revealed by ab initio quantum chemical investigations
Authors: Beckett Daniel , Edelmann Marc , Raff Jonathan D. , Raghavachari Krishnan
Published: October 2017

Reaction of H2O2 and HNO involves a diradical transition state with intriguing behavior and a new mechanism for isomerization of hydrogen nitryl.
Theoretical prediction of MXene-like structured Ti3C4as a high capacity electrode material for Na ion batteries
Authors: Meng Qiangqiang , Hu Alice , Zhi Chunyi , Fan Jun
Published: October 2017

MXenes are attracting much attention as electrode materials due to their excellent energy storage properties and good electrical conductivity.
Halogen substitutions leading to enhanced oxygen evolution and oxygen reduction reactions in metalloporphyrin frameworks
Authors: Wannakao Sippakorn , Maihom Thana , Kongpatpanich Kanokwan , Limtrakul Jumras , Promarak Vinich
Published: October 2017

Halogen substitutions modify the electronic structure of active sites to enhance the oxygen evolution and reduction reactions on metalloporphyrin frameworks.
Ultrafast charge transfer dynamics pathways in two-dimensional MoS2–graphene heterostructures: a core-hole clock approach
Authors: Garcia-Basabe Yunier , Rocha Alexandre R. , Vicentin Flávio C. , Villegas Cesar E. P. , Nascimento Regiane , Romani Eric C. , de Oliveira Emerson C. , Fechine Guilhermino J. M. , Li Shisheng , Eda Goki , Larrude Dunieskys G.
Published: October 2017

Ultrafast electron delocalization pathways on the MoS2/graphene heterostructure were elucidated.
Dipole-correlated carrier transportation and orbital reconfiguration in strain-distorted SrNbxTi1−xO3/KTaO3
Authors: Chen Jikun , Ke Xinyou , Wang Jiaou , Yajima Takeaki , Qian Haijie , Sun Song
Published: October 2017

A distinct transportation characteristic of conduction band splitting is achieved by coupling the carriers with randomly distributed lattice-dipoles for strain-distorted SrNbxTi1−xO3/KTaO3.
Guanidinium-based “molecular glues” for modulation of biomolecular functions
Authors: Mogaki Rina , Hashim P. K. , Okuro Kou , Aida Takuzo
Published: October 2017

This tutorial review highlights “molecular glues” designed for manipulation of biomolecular assemblies, drug delivery systems, and modulation of biomolecular functions.
Supramolecular medicine
Authors: Cui Honggang , Xu Bing
Published: October 2017

Guest editors Honggang Cui and Bing Xu introduce the supramolecular medicine issue of Chemical Society Reviews. In a broader context, Supramolecular Medicine can be defined as the supramolecular formulation of diagnostic and therapeutic agents for the diagnosis, treatment, and prevention of disease.
Location, distribution and acidity of Al substitution in ZSM-5 with different Si/Al ratios – a periodic DFT computation
Authors: Xing Bin , Ma Jinghong , Li Ruifeng , Jiao Haijun
Published: October 2017

Systematic periodic density functional theory computations including dispersion correction (GGA-PBE-D3) have been carried out to characterize the location, distribution and acidity of Al substitution in ZSM-5 with different Si/Al ratios (up to 8 Al atoms).
Efficient removal of uranium(vi) from simulated seawater using amidoximated polyacrylonitrile/FeOOH composites
Authors: Wei Xintao , Liu Qi , Zhang Hongsen , Lu Zetong , Liu Jingyuan , Chen Rongrong , Li Rumin , Li Zhangshuang , Liu Peili , Wang Jun
Published: October 2017

The ability to recover uranium, an important nuclear fuel, from seawater provides the potential for long-term sustainable fuel supply for nuclear energy.
Unexpected lability of the [RuIII(phtpy)Cl3] complex
Authors: Benavides Paola A. , Matias Tiago A. , Araki Koiti
Published: October 2017

[Ruiii(phtpy)Cl3] complex is labile and releases terdentate phtpy ligand in solution leading to the formation of the homoleptic [Ruii(phtpy)2] complex as main product instead of the desired [Ru(phtpy)(LL)Cl] complex upon reaction with bidentated LL ligands.
Shedding light on the mechanisms of absorption and transport of ZnO nanoparticles by plantsvia in vivoX-ray spectroscopy
Authors: da Cruz Tatiana N. M. , Savassa Susilaine M. , Gomes Marcos H. F. , Rodrigues Eduardo S. , Duran Nádia M. , de Almeida Eduardo , Martinelli Adriana P. , de Carvalho Hudson W. P.
Published: October 2017

In vivoX-ray spectroscopy showed that in plants, Zn released from nano ZnO is taken up coordinated with organic molecules.
Molecular assembly at surfaces: progress and challenges
Authors: Raval R.
Published: October 2017

Molecules provide versatile building blocks, with a vast palette of functionalities and an ability to assemble via supramolecular and covalent bonding to generate remarkably diverse macromolecular systems. This is abundantly displayed by natural systems that have evolved on Earth, which exploit both supramolecular and covalent protocols to create the machinery of life. Importantly, these molecular assemblies deliver functions that are reproducible, adaptable, finessed and responsive. There is now a real need to translate complex molecular systems to surfaces and interfaces in order to engineer 21st century nanotechnology. ‘Top-down’ and ‘bottom-up’ approaches, and utilisation of supramolecular and covalent assembly, are currently being used to create a range of molecular architectures and functionalities at surfaces. In parallel, advanced tools developed for interrogating surfaces and interfaces have been deployed to capture the complexities of molecular behaviour at interfaces from the nanoscale to the macroscale, while advances in theoretical modelling are delivering insights into the balance of interactions that determine system behaviour. A few examples are provided here that outline molecular behaviour at surfaces, and the level of complexity that is inherent in such systems.
The nucleosomal surface is the main target of histone ADP-ribosylation in response to DNA damage
Authors: Karch Kelly R. , Langelier Marie-France , Pascal John M. , Garcia Benjamin A.
Published: October 2017

Histone ADP-ribosylation sites were identified and quantified in vivo upon DNA damage insult using mass spectrometry.
Bioformulation of silver nanoparticles as berberine carrier cum anticancer agent against breast cancer
Authors: Bhanumathi Ramasamy , Vimala Karuppaiya , Shanthi Krishnamurthy , Thangaraj Ramasundaram , Kannan Soundarapandian
Published: October 2017

The present work focuses on the bioformulation of AgNPs as a carrier for berberine and tests whether biogenic AgNPs elicit anticancer activity against breast cancer.
Interesting structural transformation of CdS from zinc blende into wurtzite during minuscule loading of magnetic nanoparticles: emergence of heterojunctions with enhanced photocatalytic performance
Authors: Malik Rupal , Kaur Jaspreet , Kaushik Anupama , Sheoran Ankush , Chudasama Bhupendra , Kumar Vinod , Tikoo K. B. , Singhal Sonal
Published: October 2017

Herein, we present morphologically modified CdS and nanoferrite MFe2O4 (M = Zn, Co and Ni) heterojunctions with efficacious visible-light-driven photocatalytic properties.
Clinoptilolite nanoparticles modified with dimethyl glyoxime as a sensitive modifier for a carbon paste electrode in the voltammetric determination of Ni(ii): experimental design by response surface methodology
Authors: Haghshenas Samira , Nezamzadeh-Ejhieh Alireza
Published: October 2017

Clinoptilolite nanoparticles (Cn) were modified with dimethyl glyoxime (DMG) and the resulting Cn-DMG was used to construct a sensitive modified carbon paste electrode (CPE) for the voltammetric determination of Ni(ii) in aqueous media.
Efficiently synthesized Co doped Cu3TeO6 accounted for its anomalous behaviour in electronic properties
Authors: Mardolkar Sudarshana D. , Salker A. V.
Published: October 2017

Efficient synthesis of Cu3−xCoxTeO6 (x = 0.0, 0.1, 0.3 or 0.5) yields cubic morphologies, which exhibit remarkable electronic and enhanced permittivity properties.
Tailored PVDF nanocomposite membranes using exfoliated MoS2 nanosheets for improved permeation and antifouling performance
Authors: Sri Abirami Saraswathi Meenakshi Sundaram , Rana Dipak , Vijayakumar Prabu , Alwarappan Subbiah , Nagendran Alagumalai
Published: October 2017

Exfoliated molybdenum disulfide (E-MoS2) nanosheets were synthesized from bulk MoS2.
Synthesis and in vitro phototoxicity of novel π-extension derivatives of chlorin e6
Authors: Cao Lei , Guo Xiuhan , Wang Liu , Wang Shisheng , Li Yueqing , Zhao Weijie
Published: October 2017

32-Aryl substitution generated the maximum wavelength redshift and increased the in vitro phototoxicity against HepG2 cells simultaneously.
Foreign In3+ treatment improving the photoelectrochemical performance of a hematite nanosheet array for water splitting
Authors: Bu Xianbao , Wang Guo , Tian Yang
Published: October 2017

Foreign In3+ treatment enhances the PEC activity of water oxidation for the hematite nanosheet array.
DNA nanotubes assembled from tensegrity triangle tiles with circular DNA scaffolds
Authors: Afshan Noshin , Ali Mashooq , Wang Meng , Baig Mirza Muhammad Faran Ashraf , Xiao Shou-Jun
Published: October 2017

2D parallel lozenge tiling lattices and rolled-up nanotubes employing triangle tiles composed of small circular DNA molecular scaffolds of different lengths.
Controlled synthesis of hollow octahedral ZnCo2O4 nanocages assembled from ultrathin 2D nanosheets for enhanced lithium storage
Authors: Liu Beihong , Liu Hui , Liang Mengfang , Liu Lixiang , Lv Zhaolin , Zhou Hang , Guo Hong
Published: October 2017

Hollow octahedral ZnCo2O4 nanocages assembled from ultrathin 2D nanosheets exhibit enhanced Li+ storage.
A detailed mechanistic study of bulk MADIX of styrene and its chain extension
Authors: Devlaminck Dries J. G. , Van Steenberge Paul H. M. , De Keer Lies , Reyniers Marie-Françoise , D'hooge Dagmar R.
Published: October 2017

By combining experimental and modeling tools, a detailed characterization study of MADIX properties becomes possible.
Metal (M = Co, Ni) phosphate based materials for high-performance supercapacitors
Authors: Li Xinran , Xiao Xiao , Li Qing , Wei Jilei , Xue Huaiguo , Pang Huan
Published: October 2017

With the ever increasing demand for clean, sustainable energy, electrochemical supercapacitors with the advantages of high power density, high efficiency and long life expectancy have become one of the major devices for energy storage and power supply, and have found wide application in hybrid power sources, backup power sources, starting power for fuel cells and burst-power generation in electronic devices.
Synthesis of late transition-metal nanoparticles by Na naphthalenide reduction of salts and their catalytic efficiency
Authors: Fu Fangyu , Martinez-Villacorta Angel M. , Escobar Ane , Irigoyen Joseba , Moya Sergio , Fouquet Eric , Ruiz Jaime , Astruc Didier
Published: October 2017

Late transition-metal nanoparticles were synthesized using Na naphthalenide reduction of salts followed by salting-out purification catalyse click, redox and coupling reactions.
Synergistically enhanced photocatalysis from plasmonics and a co-catalyst in Au@ZnO–Pd ternary core–shell nanostructures
Authors: Li Benxia , Wang Renshan , Shao Xiankun , Shao Liangzhi , Zhang Baoshan
Published: October 2017

Ternary core–shell nanostructures of Au@ZnO–Pd have been designed to achieve the synergetic utilization of a plasmonic effect and a co-catalyst for enhanced photocatalytic performance.
Synthesis of substituted 4-hydroxyalkyl-quinoline derivatives by a three-component reaction using CuCl/AuCl as sequential catalysts
Authors: Jiang Kun-Ming , Kang Jing-An , Jin Yi , Lin Jun
Published: October 2017

A new method to construct 4-hydroxyalkyl-quinoline derivatives is described via Cu(i) and Au(i) sequential catalyzed cyclization of anilines with aldehyde derivatives and aliphatic alkynes, respectively.
Metal-free annulation of β-acylamino ketones: facile access to spirooxazolines and oxazolines via oxidative C–O bond formation
Authors: Chavan Santosh S. , Rupanawar Bapurao D. , Kamble Rohit B. , Shelke Anil M. , Suryavanshi Gurunath
Published: October 2017

A metal-free annulation reaction of β-acylamino ketone derivatives has been reported for the synthesis of a group of functionalized spirooxazolines and oxazolines in good to excellent yields.
Wearable triboelectric nanogenerator using a plasma-etched PDMS–CNT composite for a physical activity sensor
Authors: Kim Min-Ki , Kim Myoung-Soo , Kwon Hong-Bum , Jo Sung-Eun , Kim Yong-Jun
Published: October 2017

Triboelectric nanogenerators (TENGs) have recently shown promising potential as effective energy harvesters using human motion energy. We propose a flexible TENG with a fluorocarbon plasma-etched polydimethylsiloxane (PDMS)–carbon nanotube (CNT).
A facile method to prepare energetic materials (EMs)
Authors: Wang Qian-You , Wang Shan , Feng Xiao , Wu Le , Zhang Sheng-Han , Ding Nan , Tong Wen-Chao , Zhou Ming-Rui , Wang Bo , Yang Li
Published: October 2017

A facile method to synthesise two powerful yet safe energetic materials (EMs) with high yield is reported.
A rapid immunochromatographic strip for neutralizing antibodies detection of foot and mouth disease virus serotype O
Authors: Yang Suzhen , Yang Jifei , Sun Yaning , Peng Feng , Zhang Shurong , Liu Yunchao , Teng Man , Zhao Dong , Chai Shujun , Zhang Gaiping
Published: October 2017

Based on the BSA-Pep antigen, a test strip was developed to evaluate the neutralizing antibody of serum samples from swine vaccinated with FMDV type O vaccine rapidly. The BSA-Pep used as a detector was labeled with colloidal gold.
A fluorescence switching sensor based on graphene quantum dots decorated with Hg2+ and hydrolyzed thioacetamide for highly Ag+-sensitive and selective detection
Authors: Kaewanan Pimpisa , Sricharoen Phitchan , Limchoowong Nunticha , Sripakdee Thitiya , Nuengmatcha Prawit , Chanthai Saksit
Published: October 2017

A fluorescent sensor based on graphene quantum dots (GQDs) was developed for the determination of silver ions (Ag+).
Graphene enhanced silicon/carbon composite as anode for high performance lithium-ion batteries
Authors: Li Xiaohui , Wu Mengqiang , Feng Tingting , Xu Ziqiang , Qin Jingang , Chen Cheng , Tu Chengyang , Wang Dongxia
Published: October 2017

Silicon-based anode materials for lithium ion batteries (LIBs) have become a hot research topic due to their remarkably high theoretical capacity (4200 mA h g−1).
Morphology and adsorption properties of chitosan sulfate salt microspheres prepared by a microwave-assisted method
Authors: Zhang Caiyun , Zhang Huanhuan , Li Rong , Xing Yanjun
Published: October 2017

Chitosan sulfate salt microspheres were synthesized by a convenient microwave-assisted method and used as effective adsorbents for Cr(vi).
We don’t get any training: the impact of a professional development model on teaching practices of chemistry and biology graduate teaching assistants
Authors: Mutambuki Jacinta M. , Schwartz Renee
Published: October 2017

This study investigated the implementation of best teaching practices by science graduate teaching assistants [GTAs] (3 chemists and 2 biologists) in five inquiry-based, interdisciplinary chemistry-biology experiments during a six-week professional development (PD) program,EngagePD. Additionally, we examined GTAs’ experiences in implementing specific PD aspects. The PD program took place as the GTAs taught sections of biology and chemistry laboratory courses, each comprising five interdisciplinary experiments. The PD aspects included defining expected learning outcomes, subject-matter knowledge, relevance to real-world and chemistry-biology connections, and other active classroom teaching practices. Data were collected through classroom observations, reflection questionnaires, and individual interviews. Findings indicated that 57% of the PD aspects investigated were implemented in the five interdisciplinary experiments. Results also revealed GTAs’ initial areas of struggle in implementing specific PD aspects. Perceived implementation difficulties were attributed to individual perceptions and beliefs, and contextual factors. Through practice, continuous feedback, and reflections, most GTAs overcame the hurdles and refined their teaching. Findings imply the need to design training PD programs that offer mentoring and support to GTAs and future faculty in implementing teaching innovations. The teaching context and reflection prompts are helpful in identifying areas of difficulties and how to improve.
A model of cell-wall dynamics during sporulation inBacillus subtilis
Authors: Yap Li-Wei , Endres Robert G.
Published: October 2017

We provide a mechanistic model of engulfment during sporulation in bacteria based on physical principles of cell-wall remodeling.
Crystal polymorphism in polydiacetylene-embedded electrospun polyvinylidene fluoride nanofibers
Authors: Moazeni Najmeh , Latifi Masoud , Merati Ali Akbar , Rouhani Shohre
Published: October 2017

In this study, polydiacetylene (PDA) is embedded in electrospun polyvinylidene fluoride (PVDF) nanofibers for the preparation of mats with dual colorimetric and piezoelectric responses.
Smart biomimetic micro/nanostructures based on liquid crystal elastomers and networks
Authors: Shahsavan Hamed , Yu Li , Jákli Antal , Zhao Boxin
Published: October 2017

Liquid crystal elastomers and networks have become the materials of choice for the fabrication of bio-inspired micro/nanostructured surfaces.
Altering surface fluctuations by blending tethered and untethered chains
Authors: Lee J. K. , Akgun B. , Jiang Z. , Narayanan S. , Foster M. D.
Published: October 2017

Covalently tethering chains comprising a small volume fraction of a blend strongly slows surface fluctuations of a thin film.
Smectic monolayer confined on a sphere: topology at the particle scale
Authors: Allahyarov Elshad , Voigt Axel , Löwen Hartmut
Published: October 2017

High packing fraction smectic layer of hard spherocylinders with isotropic caps on a spherical surface. This structure is stable and free from topological defects.
Structural disorder, filament growth and self-poisoning in short rods confined onto a flat wall
Authors: Gao Yongxiang , Farkas Violet , Dullens Roel. P. A. , Aarts Dirk G. A. L.
Published: October 2017

At high densities short colloidal rods form a disorder state of randomly placed 1D filaments, whose growth/coarsening is self-poisoned by the formation of T-structures.
Anionic porous organic frameworks as advanced functional adsorbents for CO2 and organic micropollutants in water
Authors: Liu Yiqun , Landskron Kai
Published: October 2017

The adsorption of organic pollutants from water in large quantity and at a fast rate by a novel porous organic framework with phosphate functional groups is demonstrated.
Risk assessment of inhalation exposure to VOCs in dwellings in Chongqing, China
Authors: Cheng Zhu , Li Baizhan , Yu Wei , Wang Han , Zhang Tujingwa , Xiong Jie , Bu Zhongming
Published: October 2017

This paper investigated the concentrations of eight types of indoor VOCs – benzene, toluene, xylenes, butyl acetate, styrene, isopropylbenzene, undecane and formaldehyde.
Simultaneous distribution system reconfiguration and DG sizing algorithm without load flow solution
Authors: Jasthi Kiran , Das Debapriya
Published: October 2017

This study presents a loss formula‐based simultaneous reconfiguration and distributed generation (DG) sizing algorithm for active power loss minimisation in distribution networks. A new heuristic technique based on the exact loss formula for reconfiguration is proposed. The exact loss formula‐based analytical approach is used for DG sizing and siting. The proposed algorithm is tested on 33‐, 69‐, 84‐ and 136‐bus distribution systems. The simulation results demonstrate the effectiveness of the proposed approach to obtain the best solution. The impact of the initial voltage selection on this approach is analysed. The results are suggesting that it requires no load flow solution and it is the unique feature of this approach. The proposed approach can be used as a primary analysis tool for active distribution network real‐time operation and planning. The proposed method further extended to the multi‐objective approach using the weighted sum technique.
A method of immediate detection of objects with a near-zero apparent motion in series of CCD-frames
Authors: Savanevych V. E. , Khlamov S. V. , Vavilova I. B. , Briukhovetskyi A. B. , Pohorelov A. V. , Mkrtichian D. E. , Kudak V. I. , Pakuliak L. K. , Dikov E. N. , Melnik R. G. , Vlasenko V. P. , Reichart D. E.
Published: October 2017

The paper deals with a computational method for detection of the solar system minor bodies (SSOs), whose inter-frame shifts in series of CCD-frames during the observation are commensurate with the errors in measuring their positions. These objects have velocities of apparent motion between CCD-frames not exceeding three rms errors (3σ) of measurements of their positions. About 15% of objects have a near-zero apparent motion in CCD-frames, including the objects beyond the Jupiter’s orbit as well as the asteroids heading straight to the Earth. The proposed method for detection of the object’s near-zero apparent motion in series of CCD-frames is based on the Fisherf-criterion instead of using the traditional decision rules that are based on the maximum likelihood criterion. We analyzed the quality indicators of detection of the object’s near-zero apparent motion applying statistical and in situ modeling techniques in terms of the conditional probability of the true detection of objects with a near-zero apparent motion. The efficiency of method being implemented as a plugin for the Collection Light Technology (CoLiTec) software for automated asteroids and comets detection has been demonstrated. Among the objects discovered with this plugin, there was the sungrazing comet C/2012 S1 (ISON). Within 26 min of the observation, the comet’s image has been moved by three pixels in a series of four CCD-frames (the velocity of its apparent motion at the moment of discovery was equal to 0.8 pixels per CCD-frame; the image size on the frame was about five pixels). Next verification in observations of asteroids with a near-zero apparent motion conducted with small telescopes has confirmed an efficiency of the method even in bad conditions (strong backlight from the full Moon). So, we recommend applying the proposed method for series of observations with four or more frames.