bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermal Transport in Fullerene Derivatives Using Molecular Dynamics Simulations
Authors: Chen Liang , Wang Xiaojia , Kumar Satish
Published: August 2015

In order to study the effects of alkyl chain on the thermal properties of fullerene derivatives, we perform molecular dynamics (MD) simulations to predict the thermal conductivity of fullerene (C60) and its derivative phenyl-C61-butyric acid methyl ester (PCBM). The results of non-equilibrium MD simulations show a length-dependent thermal conductivity for C60but not for PCBM. The thermal conductivity of C60,obtained from the linear extrapolation of inverse conductivity vs. inverse length curve, is 0.2  W m−1 K−1at room temperature, while the thermal conductivity of PCBM saturates at ~0.075  W m−1 K−1around 20 nm. The different length-dependence behavior of thermal conductivity indicates that the long-wavelength and low-frequency phonons have large contribution to the thermal conduction in C60. The decrease in thermal conductivity of fullerene derivatives can be attributed to the reduction in group velocities, the decrease of the frequency range of acoustic phonons and the strong scattering of low-frequency phonons with the alkyl chains due to the significant mismatch of vibrational density of states in low frequency regime between buckyball and alkyl chains in PCBM.
Ideal Spintronics in Molecule-Based Novel Organometallic Nanowires
Authors: Sun Qilong , Dai Ying , Ma Yandong , Wei Wei , Yu Lin , Huang Baibiao
Published: August 2015

With the purpose of searching for new intriguing nanomaterial for spintronics, a series of novel metalloporphyrin nanowires (M-PPNW, M = Cr, Mn, Fe, Co, Ni, Cu and Zn) and hybrid nanowires fabricated by metalloporphyrin and metal-phthalocyanine (M-PCNW) are systematically investigated by means of first-principles calculations. Our results indicate that the transition metal atoms (TMs) embedded in the frameworks distribute regularly and separately, without any trend to form clusters, thus leading to the ideally ordered spin distribution. Except for the cases embedded with Ni and Zn, the others are spin-polarized. Remarkably, the Mn-PPNW, Mn-PCNW, MnCu-PPNW, MnCr-PCNW and MnCu-PCNW frameworks all favor the long-ranged ferromagnetic spin ordering and display half-metallic nature, which are of greatest interest and importance for electronics and spintronics. The predicted Curie temperature for the Mn-PCNW is about 150 K. In addition, it is found that the discrepancy in magnetic coupling for these materials is related to the competition mechanisms of through-bond and through-space exchange interactions. In the present work, we propose not only two novel sets of 1D frameworks with appealing magnetic properties, but also a new strategy in obtaining the half-metallic materials by the combination of different neighboring TMs.
Association of three SNPs in TOX3 and breast cancer risk: Evidence from 97275 cases and 128686 controls
Authors: Zhang Li , Long Xinghua
Published: August 2015

The associations of SNPs in TOX3 gene with breast cancer risk were investigated by some Genome-wide association studies and epidemiological studies, but the study results were contradictory. To derive a more precise estimate of the associations, we conducted a meta-analysis. ORs with 95% CI were used to assess the strength of association between TOX3 polymorphisms and breast cancer risk in fixed or random effect model. A total of 37 publications with 97275 cases and 128686 controls were identified. We observed that the rs3803662 C > T, rs12443621 A > G and rs8051542 C > T were all correlated with increased risk of breast cancer. In the stratified analyses by ethnicity, significantly elevated risk was detected for all genetic models of the three SNPs in Caucasians. In Asian populations, there were significant associations of rs3803662 and rs8051542 with breast cancer risk. Whereas there was no evidence for statistical significant association between the three SNPs and breast cancer risk in Africans. Additionally, we observed different associations of rs3803662 with breast cancer risk based on different ER subtype and BRCA1/BRCA2 mutation carriers. In conclusion, the meta-analysis suggested that three SNPs in TOX3 were significantly associated with breast cancer risk in different populations.
Chlorophyll catalyse the photo-transformation of carcinogenic benzo[a]pyrene in water
Authors: Luo Lijuan , Lai Xueying , Chen Baowei , Lin Li , Fang Ling , Tam Nora F. Y. , Luan Tiangang
Published: August 2015

Algal blooms cause great damage to water quality and aquaculture. However, this study showed that dead algal cells and chlorophyll could accelerate the photo-transformation of benzo[a]pyrene (BaP), a ubiquitous and persistent pollutant with potently mutagenic and carcinogenic toxicities, under visible light irradiation. Chlorophyll was found to be the major active substance in dead algal cells and generated a high level of singlet oxygen to catalyse the photo-transformation of BaP. According to various BaP metabolites formed, the degradation mechanism was proposed as that chlorophyll in dead algal cells photo-oxidized BaP to quinones via photocatalytic generation of singlet oxygen. The results provided a good insight into the role of chlorophyll in the photo-transformation of organic contaminants and could be a possible remediation strategy of organic pollutants in natural environment.
Thickness controlled proximity effects in C-type antiferromagnet/superconductor heterostructure
Authors: Mani Awadhesh , Geetha Kumary T. , Lin J. G.
Published: August 2015

Modulation of the superconducting state possessing a C-type antiferromagnetic phase in the Nd0.35Sr0.65MnO3/YBa2Cu3O7 heterostructure is investigated, with the Nd0.35Sr0.65MnO3 thickness (t) varying from 40 to 200 nm. Both the superconducting transition temperature and the upper critical field along the c-axis decrease with increasing t; while the in-plane coherence length increases from 2.0 up to 3.6 nm. Meanwhile, the critical current density exhibits a field-independent behavior, indicating an enhanced flux pinning effect. Furthermore, low-temperature spin canting induces a breakdown and re-entrance of the superconductivity, demonstrating a dynamic completion between the superconducting pairing and the exchange field. An unexpected colossal magnetoresistance is observed below the superconducting re-entrance temperature at t = 200 nm, which is attributed to the dominant influence of the exchange field over the pairing energy.
Human IL-21+IFN-γ+CD4+ T cells in nasal polyps are regulated by IL-12
Authors: Xiao Li , Jia Lei , Zhang Yannan , Yu Sifei , Wu Xingmei , Yang Binyan , Li Huabin , Wu Changyou
Published: August 2015

In the previous study, we found that the levels of IL-21 in nasal polyps (NPs) were significantly increased and associated with polyp size and recurrence. However, it is unclear that the cell source of IL-21 and the regulation of IL-21 in NP tissues. In the present study, we isolated the lymphocytes from NP tissues, uncinate tissues and peripheral blood of patients with NPs. The cells were analyzed for cell surface markers, cytokines and transcriptional factors by flow cytometry. The results indicated that CD4+ T cells were the major IL-21-exprssing cells in NP tissues and the majority of IL-21 producing CD4+ T cells co-expressed IFN-γ or IL-17A. IL-21+IFN-γ+CD4+ T cells in NP tissues exhibited the features of both Tfh and Th1 cells which co-expressed significantly higher amount of CXCR5, ICOS, PD-1, Bcl-6 and T-bet than did IL-21+IFN-γ−CD4+ T cells (p < 0.05). Treatment of the lymphocytes from NP tissues with IL-12 enhanced the production of IL-21 and IFN-γ, especially the frequency of IL-21+IFN−γ+CD4+ T cells (p < 0.05). The blockade of IL-12 inhibited the production of IL-21 and IFN-γ (p < 0.05). These findings indicated that IL-12 positively enhanced the generation of IL-21+IFN-γ+CD4+ T cells having the features of both Tfh and Th1 cells in NP tissues.
Broadband Epsilon-Near-Zero Perfect Absorption in the Near-Infrared
Authors: Yoon Junho , Zhou Ming , Badsha Md. Alamgir , Kim Tae Young , Jun Young Chul , Hwangbo Chang Kwon
Published: August 2015

Perfect absorption (PA) of incident light is important for both fundamental light-matter interaction studies and practical device applications. PA studies so far have mainly used resonant nanostructures that require delicate structural patterning. Here, we realize tunable and broadband PA in the near-infrared region using relatively simple thin film coatings. We adjust the growth condition of an ITO film and control its epsilon-near-zero (ENZ) wavelength. We show that this results in highly tunable PA in the telecommunication window. Then, using an ITO multilayer of different ENZ wavelengths, we demonstrate broadband PA that covers a wide range of near-infrared wavelengths. The use of ENZ coatings makes PA adjustable during the film growth and does not require any structural patterning afterward. It also facilitates the chip-scale integration of perfect absorbers with other device components. Broadband PA relaxes the single wavelength condition in previous PA studies and thus it is suitable for many practical device applications, including sensors, photodetectors and energy harvesting devices.
Systematically Prioritizing Functional Differentially Methylated Regions (fDMRs) by Integrating Multi-omics Data in Colorectal Cancer
Authors: Fan Huihui , Zhao Hongying , Pang Lin , Liu Ling , Zhang Guanxiong , Yu Fulong , Liu Tingting , Xu Chaohan , Xiao Yun , Li Xia
Published: August 2015

While genome-wide differential DNA methylation regions (DMRs) have been extensively identified, the comprehensive prioritization of their functional importance is still poorly explored. Here, we aggregated multiple data resources rooted in the genome, epigenome and transcriptome to systematically prioritize functional DMRs (fDMRs) in colorectal cancer (CRC). As demonstrated, the top-ranked fDMRs from all of the data resources showed a strong enrichment for known methylated genes. Additionally, we analyzed those top 5% DMR-coupled coding genes using functional enrichment, which resulted in significant disease-related biological functions in contrast to the tail 5% genes. To further confirm the functional importance of the top-ranked fDMRs, we applied chromatin modification alterations of CRC cell lines to characterize their functional regulation. Specifically, we extended the utility of the top-ranked DMR-coupled genes to serve as classification and survival biomarkers, which showed a robust performance across diverse independent data sets. Collectively, our results established an integrative framework to prioritize fDMRs, which could help characterize aberrant DNA methylation-induced potential mechanisms underlying tumorigenesis and uncover epigenome-based biomarkers for clinical diagnosis and prognosis.
IRF6 is the mediator of TGFβ3 during regulation of the epithelial mesenchymal transition and palatal fusion
Authors: Ke Chen-Yeh , Xiao Wen-Lin , Chen Chun-Ming , Lo Lun-Jou , Wong Fen-Hwa
Published: August 2015

Mutation in interferon regulatory factor 6 (IRF6) is known to cause syndromic and non-syndromic cleft lip/palate in human. In this study, we investigated the molecular mechanisms related to IRF6 during palatal fusion using palatal shelves organ culture. The results showed that ablation ofIrf6resulted in a delay in TGFβ3-regulated palatal fusion. Ectopic expression of IRF6 was able to promote palatal fusion and rescue shTgfβ3-induced fusion defect. These findings indicate that IRF6 is involved in TGFβ3-mediated palatal fusion. Molecular analysis revealed that ectopic expression of IRF6 increased the expression of SNAI2, an epithelial mesenchymal transition (EMT) regulator and diminished the expression of various epithelial markers, such as E-cadherin, Plakophilin and ZO-1. In addition, knockdown ofIrf6expression decreased SNAI2 expression and restored the expression of ZO-1 and Plakophilin that were diminished by TGFβ3. Blocking ofSnai2expression delayed palatal fusion and abolished the IRF6 rescuing effect associated with shTgfβ3-induced fusion defect. These findings indicate that TGFβ3 increases IRF6 expression and subsequently regulates SNAI2 expression and IRF6 appears to regulate EMT during palatal fusion via SNAI2. Taken together, this study demonstrates that IRF6 is a mediator of TGFβ3, which regulates EMT and fusion process during the embryonic palate development.
Enhanced Broadband Electromagnetic Absorption in Silicon Film with Photonic Crystal Surface and Random Gold Grooves Reflector
Authors: Chen Zhi-Hui , Qiao Na , Yang Yibiao , Ye Han , Liu Shaoding , Wang Wenjie , Wang Yuncai
Published: August 2015

We show a hybrid structure consisting of Si film with photonic crystal surface and random triangular gold grooves reflector at the bottom, which is capable of realizing efficient, broad-band, wide-angle optical absorption. It is numerically demonstrated that the enhanced absorption in a broad wavelength range (0.3–9.9 μm) due to the scattering effect of both sides of the structure and the created resonance modes. Larger thickness and period are favored to enhance the absorption in broader wavelength range. Substantial electric field concentrates in the grooves of surface photonic crystal and in the Si film. Our structure is versatile for solar cells, broadband photodetection and stealth coating.
CD59 mediates cartilage patterning during spontaneous tail regeneration
Authors: Bai Xue , Wang Yingjie , Man Lili , Zhang Qing , Sun Cheng , Hu Wen , Liu Yan , Liu Mei , Gu Xiaosong , Wang Yongjun
Published: August 2015

The regeneration-competent adult animals have ability to regenerate their lost complex appendages with a near-perfect replica, owing to the positional identity acquired by the progenitor cells in the blastema, i.e. the blastemal cells. CD59, a CD59/Ly6 family member, has been identified as a regulator of positional identity in the tail blastemal cells of Gekko japonicus. To determine whether this function of CD59 is unique to the regenerative amniote(s) and how CD59 mediates PD axis patterning during tail regeneration, we examined its protective role on the complement-mediated cell lysis and intervened CD59 expression in the tail blastemal cells using an in vivo model of adenovirus transfection. Our data revealed that gecko CD59 was able to inhibit complement-mediated cell lysis. Meanwhile, CD59 functioned on positional identity through expression in cartilage precursor cells. Intervening positional identity by overexpression or siRNA knockdown of CD59 resulted in abnormal cartilaginous cone patterning due to the decreased differentiation of blastemal cells to cartilage precursor cells. The cartilage formation-related genes were found to be under the regulation of CD59. These results indicate that CD59, an evolutionarily transitional molecule linking immune and regenerative regulation, affects tail regeneration by mediating cartilage patterning.
OsPRR37 and Ghd7 are the major genes for general combining ability of DTH, PH and SPP in rice
Authors: Liu Chuan , Song Gaoyuan , Zhou Yanhao , Qu Xuefeng , Guo Zhibin , Liu Zhenwei , Jiang Daiming , Yang Daichang
Published: August 2015

Artificial selection of high yield crops and better livestock is paramount importance in breeding programs. Selection of elite parents with preferred traits from a phalanx of inbred lines is extremely laborious, time-consuming and highly random. General combining ability (GCA) was proposed and has been widely used for the evaluation of parents in hybrid breeding for more than half a century. However, the genetic and molecular basis of GCA has been largely overlooked. Here, we present two pleotropic QTLs are accounting for GCA of days to heading (DTH), plant height (PH) and spikelet per panicle (SPP) using an F2-based NCII design, the BC3F2 population as well as a set of nearly isogenic lines (NILs) with five testers. Both GCA1 and GCA2 were loss-of-function gene in low-GCA parent and gain-of-function gene in high-GCA parent, encoding the putative Pseudo-Response Regulators, OsPRR37 and Ghd7, respectively. Overexpression of GCA1 in low-GCA parent significantly increases GCA effects in three traits. Our results demonstrate that two GCA loci associate with OsPRR37 and Ghd7 and reveal that the genes responsible for important agronomic traits could simultaneously account for GCA effects.
Low-field Switching Four-state Nonvolatile Memory Based on Multiferroic Tunnel Junctions
Authors: Yau H. M. , Yan Z. B. , Chan N. Y. , Au K. , Wong C. M. , Leung C. W. , Zhang F.Y. , Gao X. S. , Dai J. Y.
Published: August 2015

Multiferroic tunneling junction based four-state non-volatile memories are very promising for future memory industry since this kind of memories hold the advantages of not only the higher density by scaling down memory cell but also the function of magnetically written and electrically reading. In this work, we demonstrate a success of this four-state memory in a material system of NiFe/BaTiO3/La0.7Sr0.3MnO3 with improved memory characteristics such as lower switching field and larger tunneling magnetoresistance (TMR). Ferroelectric switching induced resistive change memory with OFF/ON ratio of 16 and 0.3% TMR effect have been achieved in this multiferroic tunneling structure.
A Systems Level Analysis of Vasopressin-mediated Signaling Networks in Kidney Distal Convoluted Tubule Cells
Authors: Cheng Lei , Wu Qi , Kortenoeven Marleen L. A. , Pisitkun Trairak , Fenton Robert A.
Published: August 2015

The kidney distal convoluted tubule (DCT) plays an essential role in maintaining body sodium balance and blood pressure. The major sodium reabsorption pathway in the DCT is the thiazide-sensitive NaCl cotransporter (NCC), whose functions can be modulated by the hormone vasopressin (VP) acting via uncharacterized signaling cascades. Here we use a systems biology approach centered on stable isotope labeling by amino acids in cell culture (SILAC) based quantitative phosphoproteomics of cultured mouse DCT cells to map global changes in protein phosphorylation upon acute treatment with a VP type II receptor agonist 1-desamino-8-D-arginine vasopressin (dDAVP). 6330 unique proteins, containing 12333 different phosphorylation sites were identified. 185 sites were altered in abundance following dDAVP. Basophilic motifs were preferential targets for upregulated sites upon dDAVP stimulation, whereas proline-directed motifs were prominent for downregulated sites. Kinase prediction indicated that dDAVP increased AGC and CAMK kinase families’ activities and decreased activity of CDK and MAPK families. Network analysis implicated phosphatidylinositol-4,5-bisphosphate 3-kinase or CAMKK dependent pathways in VP-mediated signaling; pharmacological inhibition of which significantly reduced dDAVP induced increases in phosphorylated NCC at an activating site. In conclusion, this study identifies unique VP signaling cascades in DCT cells that may be important for regulating blood pressure.
Real-Time MRI-Guided Catheter Tracking Using Hyperpolarized Silicon Particles
Authors: Whiting Nicholas , Hu Jingzhe , Shah Jay V. , Cassidy Maja C. , Cressman Erik , Zacharias Millward Niki , Menter David G. , Marcus Charles M. , Bhattacharya Pratip K.
Published: August 2015

Visualizing the movement of angiocatheters during endovascular interventions is typically accomplished using x-ray fluoroscopy. There are many potential advantages to developing magnetic resonance imaging-based approaches that will allow three-dimensional imaging of the tissue/vasculature interface while monitoring other physiologically-relevant criteria, without exposing the patient or clinician team to ionizing radiation. Here we introduce a proof-of-concept development of a magnetic resonance imaging-guided catheter tracking method that utilizes hyperpolarized silicon particles. The increased signal of the silicon particles is generated via low-temperature, solid-state dynamic nuclear polarization and the particles retain their enhanced signal for ≥40 minutes—allowing imaging experiments over extended time durations. The particles are affixed to the tip of standard medical-grade catheters and are used to track passage under set distal and temporal points in phantoms and live mouse models. With continued development, this method has the potential to supplement x-ray fluoroscopy and other MRI-guided catheter tracking methods as a zero-background, positive contrast agent that does not require ionizing radiation.
Protein-Based Three-Dimensional Whispering-Gallery-Mode Micro-Lasers with Stimulus-Responsiveness
Authors: Sun Yun-Lu , Hou Zhi-Shan , Sun Si-Ming , Zheng Bo-Yuan , Ku Jin-Feng , Dong Wen-Fei , Chen Qi-Dai , Sun Hong-Bo
Published: August 2015

For the first time, proteins, a promising biocompatible and functionality-designable biomacromolecule material, acted as the host material to construct three-dimensional (3D) whispering-gallery-mode (WGM) microlasers by multiphoton femtosecond laser direct writing (FsLDW). Protein/Rhodamine B (RhB) composite biopolymer was used as optical gain medium innovatively. By adopting high-viscosity aqueous protein ink and optimized scanning mode, protein-based WGM microlasers were customized with exquisite true 3D geometry and smooth morphology. Comparable to previously reported artificial polymers, protein-based WGM microlasers here were endowed with valuable performances including steady operation in air and even in aqueous environments and a higher quality value (Q) of several thousands (without annealing). Due to the “smart” feature of protein hydrogel, lasing spectrum was responsively adjusted by step of ~0.4 nm blueshift per 0.83-mmol/L Na2SO4 concentration change (0 ~ 5-mmol/L in total leading to ~2.59-nm blueshift). Importantly, other performances including Q, FWHM, FSR, peak intensities, exhibited good stability during adjustments. So, these protein-based 3D WGM microlasers might have potential in applications like optical biosensing and tunable “smart” biolasers, useful in novel photonic biosystems and bioengineering.
Lycorine suppresses RANKL-induced osteoclastogenesis in vitro and prevents ovariectomy-induced osteoporosis and titanium particle-induced osteolysis in vivo
Authors: Chen Shuai , Jin Gu , Huang Kang-Mao , Ma Jian-Jun , Wang Qiang , Ma Yan , Tang Xiao-Zhen , Zhou Zhi-Jie , Hu Zhi-Jun , Wang Ji-Ying , Qin An , Fan Shun-Wu
Published: August 2015

Osteoclasts play an important role in diseases involving bone loss. In this study, we assessed the effect of a plant-derived natural alkaloid (lycorine, or LY) on osteoclastogenesis in vitro and in vivo. Our in vitro study showed that receptor activator of nuclear factor-κB ligand (RANKL)-induced osteoclastogenesis could be inhibited by LY; this effect was due to inhibition of mitogen-activated protein kinase (MAPK) signalling via MAP kinase kinases (MKKs). The MAPK agonist anisomycin could partially rescue the inhibitory effect of LY. Furthermore, LY also played a protective role in both a murine ovariectomy (OVX)-induced osteoporosis model and a titanium particle-induced osteolysis model. These results confirmed that LY was effective in preventing osteoclast-related diseases in vivo. In conclusion, our results show that LY is effective in suppressing osteoclastogenesis and therefore could be used to treat OVX-induced osteoporosis and wear particle-induced osteolysis.
Vitroprocines, new antibiotics against Acinetobacter baumannii, discovered from marine Vibrio sp. QWI-06 using mass-spectrometry-based metabolomics approach
Authors: Liaw Chih-Chuang , Chen Pei-Chin , Shih Chao-Jen , Tseng Sung-Pin , Lai Ying-Mi , Hsu Chi-Hsin , Dorrestein Pieter C. , Yang Yu-Liang
Published: August 2015

A robust and convenient research strategy integrating state-of-the-art analytical techniques is needed to efficiently discover novel compounds from marine microbial resources. In this study, we identified a series of amino-polyketide derivatives, vitroprocines A-J, from the marine bacterium Vibrio sp. QWI-06 by an integrated approach using imaging mass spectroscopy and molecular networking, as well as conventional bioactivity-guided fractionation and isolation. The structure-activity relationship of vitroprocines against Acinetobacter baumannii is proposed. In addition, feeding experiments with 13C-labeled precursors indicated that a pyridoxal 5′-phosphate-dependent mechanism is involved in the biosynthesis of vitroprocines. Elucidation of amino-polyketide derivatives from a species of marine bacteria for the first time demonstrates the potential of this integrated metabolomics approach to uncover marine bacterial biodiversity.
Aerogel Poly(butylene succinate) Biomaterial Substrate for RF and Microwave Applications
Authors: Habib Ullah M. , Mahadi W. N. L. , Latef T. A.
Published: August 2015

Polybutylene succinate (PBS) has become a potential candidate, similar to polypropylene (PP) and acrylonitrile butadiene styrene (ABS), for use as an organic plastic material due to its outstanding mechanical properties as well as high thermal deformation characteristics. A new composition of silica aerogel nanoparticles extracted from rice waste with PBS is proposed for use as a dielectric (εr = 4.5) substrate for microwave applications. A microstrip patch antenna was fabricated on the proposed dielectric substrate for multi-resonant ultra-wideband (UWB) applications. The performance characteristics of the proposed biomaterial-based antenna were investigated in a far-field measurement environment. The results indicate that the proposed biocompatible material-based antenna covered a bandwidth of 9.4 (2.3–11.7) GHz with stop bands from 5.5 GHz to 5.8 GHz and 7.0 GHz to 8.3 GHz. Peak gains of 9.82 dBi, 7.59 dBi, 8.0 dBi and 7.68 dBi were measured at resonant frequencies of 2.7 GHz, 4.6 GHz, 6.3 GHz and 9.5 GHz, respectively.
Hyperconjugation in diethyl ether cation versus diethyl sulfide cation
Authors: Morita Masato , Matsuda Yoshiyuki , Endo Tomoya , Mikami Naohiko , Fujii Asuka , Takahashi Kaito
Published: August 2015

Electron donation from the CH bond to the single occupied orbital is observed through the large red shift in the CH stretching band for the diethyl ether cation.
The springtail cuticle as a blueprint for omniphobic surfaces
Authors: Hensel René , Neinhuis Christoph , Werner Carsten
Published: August 2015

Robust omniphobic surface coatings inspired by the cuticular structure of springtails (Collembola).
Immobilisation of a molecular epoxidation catalyst on UiO-66 and -67: the effect of pore size on catalyst activity and recycling
Authors: Kaposi Marlene , Cokoja Mirza , Hutterer Christine H. , Hauser Simone A. , Kaposi Tobias , Klappenberger Florian , Pöthig Alexander , Barth Johannes V. , Herrmann Wolfgang A. , Kühn Fritz E.
Published: August 2015

Amino-functionalised metal–organic frameworks UiO-66 and -67 were post-synthetically modified with a Mo(vi) compound and applied in epoxidation catalysis.
Colorimetric and fluorimetric detection of fluoride and cyanide ions using tri and tetra coordinated boron containing chromophores
Authors: Misra Rajneesh , Jadhav Thaksen , Dhokale Bhausaheb , Mobin Shaikh M.
Published: August 2015

Two organoboron based fluorophores pyrazabole 3 and BODIPY 4 have been designed and synthesized by the Pd-catalyzed Sonogashira cross-coupling reaction and successfully employed for fluoride and cyanide ion sensing.
Particle emissions from microalgae biodiesel combustion and their relative oxidative potential
Authors: Rahman M. M. , Stevanovic S. , Islam M. A. , Heimann K. , Nabi M. N. , Thomas G. , Feng B. , Brown R. J. , Ristovski Z. D.
Published: August 2015

Microalgae are considered to be one of the most viable biodiesel feedstocks for the future due to their potential for providing sustainable and cleaner alternatives to petroleum diesel.
Toxicity of 12 metal-based nanoparticles to algae, bacteria and protozoa
Authors: Aruoja Villem , Pokhrel Suman , Sihtmäe Mariliis , Mortimer Monika , Mädler Lutz , Kahru Anne
Published: August 2015

Common toxicity patterns emerge across toxicity tests with species from different trophic levels.
Carbon nanotube-immobilized super-absorbent membrane for harvesting water from the atmosphere
Authors: Roy Sagar , Hussain Chaudhery Mustansar , Mitra Somenath
Published: August 2015

This paper describes the development of a carbon nanotube (CNT)-immobilized membrane for harvesting pure water from air.
Modeling low impact development in two Chicago communities
Authors: Martin A. R. , Ahiablame L. M. , Engel B. A.
Published: August 2015

Sustainable practices that will aid in reducing runoff volume and nutrient loading during storm events are needed in many urban areas.
Direct transformation of carbohydrates to the biofuel 5-ethoxymethylfurfural by solid acid catalysts
Authors: Li Hu , Saravanamurugan Shunmugavel , Yang Song , Riisager Anders
Published: August 2015

Biomass-based mono-, di- and polysaccharides are directly converted to the biofuel 5-ethoxymethylfurfural (EMF) in ethanol by solid acid zeolite catalysts or by a combined zeolite–Amberlyst catalyst system in a one-pot, two-step process.
Geometrical and morphological optimizations of plasmonic nanoarrays for high-performance SERS detection
Authors: Li W. Q. , Wang G. , Zhang X. N. , Geng H. P. , Shen J. L. , Wang L. S. , Zhao J. , Xu L. F. , Zhang L. J. , Wu Y. Q. , Tai R. Z. , Chen G.
Published: August 2015

The effect of the geometry and morphology of the nanoarray and hybrid nanoarray substrates on their SERS performance is comprehensively studied.
A highly sensitive, low-cost, wearable pressure sensor based on conductive hydrogel spheres
Authors: Tai Yanlong , Mulle Matthieu , Aguilar Ventura Isaac , Lubineau Gilles
Published: August 2015

Wearable pressure sensing solutions have promising future for practical applications in health monitoring and human/machine interfaces.
Quantification and modification of the equilibrium dynamics and mechanics of a viral capsid lattice self-assembled as a protein nanocoating
Authors: Valbuena Alejandro , Mateu Mauricio G.
Published: August 2015

The equilibrium dynamics and mechanics of a viral capsid lattice that serves as a protein-based nanocoating can be quantified by AFM and chemically manipulated to increase mechanical strength and flexibility.
Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols
Authors: Choudhury Sumit , Ahmad Saeed , Khan Faiz Ahmed
Published: August 2015

An acid-catalysed Grob fragmentation over suitably functionalized norbornyl ketones allows for a new entry to substituted halophenols and eventually demonstrates the crucial effect of bridgehead substituents in the overall transformation.
Copper catalyzed oxygen assisted C(CNOH)–C(alkyl) bond cleavage: a facile conversion of aryl/aralkyl/vinyl ketones to aromatic acids
Authors: Sathyanarayana Pochampalli , Ravi Owk , Muktapuram Prathap Reddy , Bathula Surendar Reddy
Published: August 2015

An innovative Cu-catalyzed, molecular oxygen supported C(CNOH)–C(alkyl) bond cleavage reaction of aryl/aralkyl/vinyl tethered ketones for the synthesis of benzoic or acrylic acids.
Preparation of core–shell particles by surface-initiated cycloketyl radical mediated living polymerization
Authors: Huang Xianguang , Wang Li , Yang Wantai
Published: August 2015

Core–shell particles were prepared by surface-initiated cycloketyl radical mediated living polymerization, achieving deliberate control over the particle size and uniformity. It has significant potential for industrial application.
Influence of 2-(diisopropylamino)ethyl methacrylate on acid-triggered hydrolysis of cyclic benzylidene acetals and their importance in efficient drug delivery
Authors: Tang Minjie , Yang Zheng , Feng Zujian , Zhou Junhui , Liu Jinjian , Liu Jianfeng , Wang Weiwei , Zhao Junqiang , Dong Anjie , Deng Liandong
Published: August 2015

The introduction of DPA units into a PECD copolymer has an amphoteric effect on the hydrolysis behavior of CBAs under acidic conditions.
Polymeric ionic liquids for CO2 capture and separation: potential, progress and challenges
Authors: Zulfiqar Sonia , Sarwar Muhammad Ilyas , Mecerreyes David
Published: August 2015

This review presents the potential of polymeric ionic liquids for CO2 capture whose sorption efficiency surpasses that of molecular ionic liquids.
Fenton oxidative treatment of petroleum refinery wastewater: process optimization and sludge characterization
Authors: Diya'uddeen B. H. , Rahim Pouran Shima , Abdul Aziz A. R. , Daud W. M. A. W.
Published: August 2015

Good sedimentation and compaction properties of the Fenton generated sludge shows its easy handling.
The luminescence inner filter effect of Mn2+-doped (ZnS)2·octylamine inorganic/organic hybrid thin films and their sensor application for environmental contaminants
Authors: Chen Yu , Wang Jinhui , Li Jing , Li Xinxin , Wei Shuo
Published: August 2015

The inner filter effect (IFE) for Mn2+luminescence of (ZnS:Mn)2·octylamine hybrid thin film was investigated and verified by detecting three selected environmental contaminant species, which indicated that it was a good IFE-based fluorescence sensor.
Facile nanoparticle dispersion detection in energetic composites by rare earth doped in metal oxide nanostructures
Authors: Draper Robert E. , Reid David L. , Sakthivel Tamil S. , Sammet Thomas , Demko Andrew , Petersen Eric L. , Seal Sudipta
Published: August 2015

Visible-light method utilizing consumer grade digital photography to characterize the dispersion properties of metal-oxide nanoparticles in a polymer matrix.
Simultaneous removal of organic matter and nitrate from bio-treated leachate via iron–carbon internal micro-electrolysis
Authors: Wu Liang , Chen Shanping , Zhou Jingshu , Zhang Cheng , Liu Jianyong , Luo Jinghuan , Song Guangyu , Qian Guangren , Song Lijie , Xia Min
Published: August 2015

Both nitrate and organic matter could be reduced by iron–carbon internal micro-electrolysis by electron competition. The main mechanisms of COD removal include adsorption and coagulation.
Host–guest interactions in an inverted cucurbit[7]uril with α,ω-alkyldiammonium guests
Authors: Li Qing , Qiu Sheng-Chao , Lu Ji-Hong , Xue Sai-Feng , Xiao Xin , Tao Zhu , Zhu Qian-Jiang
Published: August 2015

Host–guest interactions in an aqueous solution of an inverted cucurbit[7]uril (iQ[7]) with α,ω-alkyldiammonium guests (H3N(CH2)xNH3Cl2, x = 2, 4, 6, 8, 10, and 12 named 1–6) were investigated by nuclear magnetic resonance (NMR) and isothermal titration calorimetry (ITC).
Synthesis and characterization of two novel biological-based nano organo solid acids with urea moiety and their catalytic applications in the synthesis of 4,4′-(arylmethylene)bis(1H-pyrazol-5-ol), coumarin-3-carboxylic acid and cinnamic acid derivatives under mild and green conditions
Authors: Zolfigol Mohammad Ali , Ayazi-Nasrabadi Roya , Baghery Saeed
Published: August 2015

Green and straight-forward syntheses of 4,4′-(arylmethylene)bis(1H-pyrazol-5-ol) derivatives using nano structure organocatalysts, namely 2-carbamoylhydrazine-1-sulfonic acid and carbamoylsulfamic acid, have been developed.
Creative exercises (CEs) in the biochemistry domain: an analysis of students' linking of chemical and biochemical concepts
Authors: Warfa Abdi-Rizak M. , Odowa N.
Published: August 2015

Creative exercises (CEs), a specific form of open-ended assessment tools, have been shown to promote students' linking of prior and newly learned concepts within a course. In this study, we examined how often students in an upper-division undergraduate biochemistry course linked prior chemical concepts to biochemical ones in response to CE prompts. Thematic analysis of participant responses showed students making in response to the CEs multiple connections between prior chemical concepts and biomolecule structure, thermodynamics and enzyme kinetics. In the case of thermodynamics and enzyme kinetics CEs, most students tended to rely on contexts and concepts focused on specific materials from their current course whereas responses to biomolecule structure CEs mostly invoked foundational concepts in acid–base and organic chemistry, such as pH/pKa, pI, ionization, stereochemistry, and organic functional groups. Invoking the cognitive resources activation framework in discussing the findings, we highlight the utility and relevance of CEs in upper division courses that rely on the application of prior chemical knowledge to explain new ones as well as the implications of the findings for research and teaching.
The origin of surfactant amphiphilicity and self-assembly in protic ionic liquids
Authors: Dolan Andrew , Atkin Rob , Warr Gregory G.
Published: August 2015

Surfactant alkyl chain, head-group and counterion solvation in protic ionic liquids differs from water, affecting micelle formation and structure.
Catalytic asymmetric direct aldol reaction of α-alkyl azlactones and aliphatic aldehydes
Authors: Zheng Yang , Deng Li
Published: August 2015

An unprecedented diastereoselective and enantioselective catalytic direct aldol reaction generating β-hydroxy-α-amino acid derivatives with alkyl-substituted adjacent quaternary-tertiary stereocenters.
Full wetting of plasmonic nanopores through two-component droplets
Authors: Chen Chang , Xu XiuMei , Li Yi , Jans Hilde , Neutens Pieter , Kerman Sarp , Vereecke Guy , Holsteyns Frank , Maes Guido , Lagae Liesbet , Stakenborg Tim , van Dorpe Pol
Published: August 2015

By placing a drop of wine near the sub-10 nm gold nanopore to generate a Marangoni flow, we can finally overcome the wetting problem and make the nanopore perform excellently for molecular sensing in aqueous solutions.
Revealing the trehalose mediated inhibition of protein aggregation through lysozyme–silver nanoparticle interaction
Authors: Siddhanta Soumik , Barman Ishan , Narayana Chandrabhas
Published: August 2015

We propose a facile and robust carbohydrate-mediated method for the prevention of nanoparticle induced denaturation and aggregation of proteins.
Targeted capture and pressure/temperature-responsive separation in flexible metal–organic frameworks
Authors: Li Libo , Wang Yong , Yang Jiangfeng , Wang Xiaoqing , Li Jinping
Published: August 2015

Pressure-responsive CO2 and CH4 targeted separation was studied on flexible Metal–Organic Frameworks (MOFs) under dynamic conditions.
A shortcut to garnet-type fast Li-ion conductors for all-solid state batteries
Authors: Afyon Semih , Krumeich Frank , Rupp Jennifer L. M.
Published: August 2015

Scanning transmission electron microscopy (STEM) images and elemental mapping of cubic c-Li6.4Ga0.2La3Zr2O12 powders (synthesized at 650 °C) indicating the homogeneous distribution of Zr (red), La (green) and Ga (blue) over the nanostructures.
Highly porous nanostructured polyaniline/carbon nanodots as efficient counter electrodes for Pt-free dye-sensitized solar cells
Authors: Lee Kisu , Cho Sunghun , Kim Minkyu , Kim Jihoo , Ryu Jaehoon , Shin Keun-Young , Jang Jyongsik
Published: August 2015

A novel method to synthesize highly porous polyaniline (PANI) using carbon nanodots (CNDs) is reported. PANI-CND nanocomposite films exhibited high electrical conductivity (774 S cm−1) and excellent performance as counter electrodes in dye-sensitized solar cells (η = 7.45%).
Ultra-bright near-infrared-emitting HgS/ZnS core/shell nanocrystals for in vitro and in vivo imaging
Authors: Yang Jing , Hu Yaoping , Tan Jiangwei , Jia Li , Zhu Yu-Hua , Yu Jun-Sheng
Published: August 2015

Novel ultra-bright, stable NIR-emitting HgS/ZnS core/shell NCs with good biocompatibility for in vitro and in vivo imaging.
A zinc complex of a neutral pyridine-based amphiphile: a highly efficient and potentially therapeutic bactericidal material
Authors: Goswami Sudeep , Thiyagarajan Durairaj , Samanta Soham , Das Gopal , Ramesh Aiyagari
Published: August 2015

The complexation of Zn(ii) with a neutral pyridine-based amphiphile generates a potent bactericidal material for potential antibacterial and antibiofilm therapy.
New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells
Authors: Ramu Vadde , Ali Firoj , Taye Nandaraj , Garai Bikash , Alam Aftab , Chattopadhyay Samit , Das Amitava
Published: August 2015

Specific imaging of lipid dense regions of live MCF-7 cells is achieved with two new Ru(ii)-polypyridyl complexes 1 and 2. These visible light excitable reagents are stable towards photo-bleaching and large Stokes shifts are observed. Interestingly, these reagents were localized in the cell nucleus in PFA fixed MCF-7 cells.
Controlling crystallization to improve charge mobilities in transistors based on 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene
Authors: Adhikari Jwala M. , Vakhshouri Kiarash , Calitree Brandon D. , Hexemer Alexander , Hickner Michael A. , Gomez Enrique D.
Published: August 2015

We demonstrate that melting followed by quenching at a fixed temperature can obviate prior processing, control the crystallization process, and lead to enhanced charge mobilities in thin-film transistors based on C8-BTBT active layers.
Liquid crystals: emerging materials for use in real-time detection applications
Authors: Wang Ding , Park Soo-Young , Kang Inn-Kyu
Published: August 2015

With the rapid advances in liquid crystal (LC) material technology over recent decades, many different practical devices have been developed and commercialized.
VUV-vis photoluminescence, X-ray radioluminescence and energy transfer dynamics of Ce3+ and Pr3+ doped LiCaBO3
Authors: Zhou Weijie , Hou Dejian , Pan Fengjuan , Zhang Bingbing , Dorenbos Pieter , Huang Yan , Tao Ye , Liang Hongbin
Published: August 2015

This work highlights the studies on Ce3+/Pr3+ f–d transitions and energy transfer dynamics in LiCaBO3.
New possibilities for efficient laser surface treatment by diode‐pumped kW‐class lasers
Authors: Brajer J. , Svabek R. , Rostohar D. , Divoky M. , Lucianetti A. , Mocek T. , Madl J. , Pitrmuc Z.
Published: August 2015

The newly developed so call multy‐slab laser at premise of the research centre HiLASE is already recognized as a potential new source for efficient laser surface treatments. Once the system is in full operation the pulses of up to 100J with pulse duration of 2‐10 ns will be delivered with repetition rate of 10 Hz. In this paper the status of this new laser system is presented. Additionally the design of a new experimental station for laser surface treatments is also discussed. According to preliminary plans the station will be ready for first experiments in 2016.
The Renner-Teller effect in HCCCN+(X̃2Π) studied by zero-kinetic energy photoelectron spectroscopy and theoretical calculations
Authors: Dai Zuyang , Sun Wei , Wang Jia , Mo Yuxiang
Published: August 2015

The spin-vibronic energy levels of the cyanoacetylene cation have been measured using the one-photon zero-kinetic energy (ZEKE) photoelectron spectroscopic method. All three degenerate vibrational modes showing vibronic coupling, i.e., Renner-Teller (RT) effect, have been observed. All the splitting spin-vibronic energy levels of the fundamental H—C≡C bending vibration (v5) have been determined. The spin-vibronic energy levels of the degenerate vibrational modes have also been calculated using a diabatic model in which the harmonic terms as well as all the second-order vibronic coupling terms are used. The theoretical predictions are in good agreement with the experimental data and are used to assign the ZEKE spectrum. It is found that the RT effects for the H—(CC)—CN bending (v7) and the C—C≡N bending (v6) vibrations are weak, whereas they are strong for the H—C≡C bending (v5) vibration. The cross-mode RT couplings between any of the two degenerate vibrations are strong. The spin-orbit resolved fundamental vibrational energy levels of the C≡N stretching (v2) and C—H stretching (v1) vibrations have also been observed. The spin-orbit energy splitting of the ground state has been determined for the first time as 43 ± 2 cm−1, and the ionization energy of HCCCN is found to be 93 903.5 ± 2 cm−1.
Inverse problem with transmission eigenvalues for the discrete Schrödinger equation
Authors: Aktosun Tuncay , Papanicolaou Vassilis G.
Published: August 2015

The discrete Schrödinger equation with the Dirichlet boundary condition is considered on a half-line lattice when the potential is real valued and compactly supported. The inverse problem of recovery of the potential from the corresponding transmission eigenvalues is analyzed. The Marchenko method and the Gel’fand-Levitan method are used to solve the inverse problem uniquely, except in one “unusual” case where the sum of the transmission eigenvalues is equal to a certain integer related to the support of the potential. It is shown that in the unusual case, there may be a unique potential corresponding to a given set of transmission eigenvalues, there may be a finite number of distinct potentials for a given set of transmission eigenvalues, or there may be infinitely many potentials for a given set of transmission eigenvalues. The theory presented is illustrated with several explicit examples.
Optimizing the performance of bandpass photon detectors for inverse photoemission: Transmission of alkaline earth fluoride window crystals
Authors: Thiede Christian , Schmidt Anke B. , Donath Markus
Published: August 2015

Bandpass photon detectors are widely used in inverse photoemission in the isochromat mode at energies in the vacuum-ultraviolet spectral range. The energy bandpass of gas-filled counters is usually formed by the ionization threshold of the counting gas as high-pass filter and the transmission cutoff of an alkaline earth fluoride window as low-pass filter. The transmission characteristics of the window have, therefore, a crucial impact on the detector performance. We present transmission measurements in the vacuum-ultraviolet spectral range for alkaline earth fluoride window crystals in the vicinity of the transmission cutoff as a function of crystal purity, surface finish, surface contamination, temperature, and thickness. Our findings reveal that the transmission characteristics of the window crystal and, thus, the detector performance depend critically on these window parameters.
Tensor space representations of Temperley–Lieb algebra via orthogonal projections of rank r ≥ 1
Authors: Bytsko Andrei
Published: August 2015

Unitary representations of the Temperley–Lieb algebra TLN(Q) on the tensor space (ℂn)⊗N are considered. Two criteria are given for determining when an orthogonal projection matrix P of a rank r gives rise to such a representation. The first of them is the equality of traces of certain matrices and the second is the unitary condition for a certain partitioned matrix. Some estimates are obtained on the lower bound of Q for a given dimension n and rank r. It is also shown that if 4r > n2, then Q can take only a discrete set of values determined by the value of n2/r. In particular, the only allowed value of Q for n = r = 2 is Q=2. Finally, properties of the Clebsch–Gordan coefficients of the quantum Hopf algebra Uq(su2) are used in order to find all r = 1 and r = 2 unitary tensor space representations of TLN(Q) such that Q depends continuously on q and P is the projection in the tensor square of a simple Uq(su2) module on the subspace spanned by one or two joint eigenvectors of the Casimir operator C and the generator K of the Cartan subalgebra.
Comment on “Superposition of elliptic functions as solutions for a large number of nonlinear equations” [J. Math. Phys. 56, 032104 (2015)]
Authors: Zhang Yi , Li Ji-Bin
Published: August 2015

By using the method of planar dynamical systems, we solve exactly a nonlinear Schrödinger (NLS) equation discussed by Khare and Saxena [J. Math. Phys. 56, 032104 (2015)], and give the exact explicit parametric representations of all the traveling wave solutions.