bluuebunny/crossref_metadata_2025 huggingface dataset:
Drug repurposing: An approach to tackle drug resistance inS. typhimurium
Authors: Balasundaram Preethi , Veerappapillai Shanthi , Krishnamurthy Suthindhiran , Karuppasamy Ramanathan
Published: October 2017

Drug resistantS. typhimuriumpose important public health problem. The development of effective drugs with novel mechanism(s) of action is needed to overcome issues pertaining to drug resistance. Drug repurposing based on computational analyses is considered a viable alternative strategy to circumvent this issue. In this context, 1309 FDA‐approved drugs molecules from Mantra 2.0 database were analyzed for this study, againstS. typhimurium. Sixteen compounds having similar profiles of gene expression as quinolones were identified from the database, Mantra 2.0. Further, the pharmacophore characteristics of each resultant molecule were identified and compared with the features of nalidixic acid, using the PharamGist program. Subsequently, the activities of these compounds againstS. typhimuriumDNA gyrase were identified, using molecular docking study. Side effects analysis was also performed for the identified compounds. Molecular dynamics simulation was carried out for the compound to validate its binding efficiency. Further, characterization of screened compound revealed IC50 values in micromolar concentration range, of which flufenamic acid showed comparable in vitro activity alongside ciprofloxacin and nalidixic acid. Thus represent interesting starting points for further optimization againstS. typhimuriuminfections. It may be noted that the results we have obtained are the first experimental evidence of flufenamic acid activity againstS. typhimurium.
CpG oligodeoxynucleotide preconditioning improves cardiac function after myocardial infarction via modulation of energy metabolism and angiogenesis
Authors: Zhou Deng‐Cheng , Su Yong‐Hui , Jiang Fu‐Qing , Xia Jing‐Bo , Wu Hai‐Yan , Chang Zao‐Shang , Peng Wen‐Tao , Song Guo‐Hua , Park Kyu‐Sang , Kim Soo‐Ki , Cai Dong‐Qing , Zheng Li , Qi Xu‐Feng
Published: October 2017

Unmethylated CpG oligodeoxynucleotide (CpG‐ODN), a Toll‐like receptor 9 (TLR9) ligand, has been shown to protect against myocardial ischemia/reperfusion injury. However, the potential effects of CpG‐ODN on myocardial infarction (MI) induced by persistent ischemia remains unclear. Here, we investigated whether and how CpG‐ODN preconditioning protects against MI in mice. C57BL/6 mice were treated with CpG‐ODN by i.p. injection 2 hr prior to MI induction, and cardiac function, and histology were analyzed 2 weeks after MI. Both 1826‐CpG and KSK‐CpG preconditioning significantly improved the left ventricular (LV) ejection fraction (LVEF) and LV fractional shortening (LVFS) when compared with non‐CpG controls. Histological analysis further confirmed the cardioprotection of CpG‐ODN preconditioning. In vitro studies further demonstrated that CpG‐ODN preconditioning increases cardiomyocyte survival under hypoxic/ischemic conditions by enhancing stress tolerance through TLR9‐mediated inhibition of the SERCA2/ATP and activation of AMPK pathways. Moreover, CpG‐ODN preconditioning significantly increased angiogenesis in the infarcted myocardium compared with non‐CpG. However, persistent TLR9 activation mediated by lentiviral infection failed to improve cardiac function after MI. Although CpG‐ODN preconditioning increased angiogenesis in vitro, both the persistent stimulation of CpG‐ODN and stable overexpression of TLR9 suppressed the tube formation of cardiac microvascular endothelial cells. CpG‐ODN preconditioning significantly protects cardiac function against MI by suppressing the energy metabolism of cardiomyocytes and promoting angiogenesis. Our data also indicate that CpG‐ODN preconditioning may be useful in MI therapy.
Antiproliferative, Cytotoxic, and Apoptotic Effects of New Benzimidazole Derivatives Bearing Hydrazone Moiety
Authors: Acar Çevik Ulviye , Sağlık Begüm Nurpelin , Korkut Büşra , Özkay Yusuf , Ilgın Sinem
Published: October 2017

In order to take the advantages of the anticancer properties of benzimidazoles and hydrazones, we synthesized new 4‐(5‐chloro‐1H‐benzimidazol‐2‐yl)‐benzoic acid benzylidene hydrazide derivatives (3a–3t) and evaluated their anticancer activity against A549 (human lung adenocarcinoma) and MCF‐7 (human breast adenocarcinoma) cells. The structures of the compounds (3a–3t) were confirmed by IR, 1H‐NMR, 13C‐NMR, mass spectroscopy, and elemental analyses. Antiproliferative activities of the compounds were evaluated using MTT assay, BrdU method, and flow cytometric analysis. In addition, with purpose of determining selectivity the cytotoxic activities of the final compounds were screened against healthy NIH3T3 cell line (mouse vembryonic fibroblast cells). Among the tested compounds 3e and 3f showed significant cytotoxic activity against A549 and MCF‐7 cancer cells with an IC50 value of 0.0316 μM. Furthermore, compound 3p showed remarkable cytotoxic activity against MCF‐7 comparing with standard drug cisplatin. Annexin V‐FITC assay also suggested that this compounds induced cell death by apoptosis.
Design, Synthesis and In Vitro Anti‐mycobacterial Activity of Propylene‐1H‐1,2,3‐triazole‐4‐methylene‐tethered Isatin‐moxifloxacin Hybrids
Authors: Hu Yuan‐Qiang , Fan Jing , Song Xu‐Feng
Published: October 2017

Ten propylene‐1H‐1,2,3‐triazole‐4‐methylene‐tethered isatin‐moxifloxacin hybrids 5a–j were synthesized via Cu‐promoted azide‐alkyne cycloaddition reaction, and screened for their in vitro anti‐mycobacterial activities against Mycobacterium tuberculosis H37Rv and multidrug‐resistant tuberculosis. The results showed that all the synthesized hybrids [minimum inhibitory concentration (MIC): 0.25–4.0 μg/mL] displayed considerable activities against the tested two strains, but all less active than the parent moxifloxacin (MIC: 0.10 and 0.12 μg/mL). The resistance index of the most targets was around 1, suggesting this kind of hybrids could reduce the cross–resistance to some extent. Among them, hybrid 5 g was found most active against Mycobacterium tuberculosis H37Rv with MIC of 0.39 μg/mL, which was comparable with rifampicin (MIC: 0.39 μg/mL), while conjugate 5a (MIC: 0.25 μg/mL) was 128– > 512 times more active than rifampicin (MIC: 32 μg/mL) and isoniazid (MIC: >128 μg/mL) against multidrug‐resistant tuberculosis.
The Combination of icariin and constrained dynamic loading stimulation attenuates bone loss in ovariectomy‐induced osteoporotic mice
Authors: Wang Qiang‐Song , Wang Gui‐Fang , Lu Yu‐Ren , Cui Yuan‐Lu , Li Hao , Li Rui‐Xin , Zhang Xi‐Zheng , Zhang Chun‐Qiu , Liu Tian‐Jun
Published: October 2017

Osteoporosis is a disease characterized by low bone mass and progressive destruction of bone microstructure, resulting in increasing the risk of fracture. Icariin (ICA) as a phytoestrogen shows osteogenic effects, and the mechanical stimulation has been demonstrated the improving effect on osteoporosis. The objective of this study was to investigate the effect of ICA in combination with constrained dynamic loading (CDL) stimulation on osteoporosis in ovariectomized (OVX) mice. The serum hormone levels, bone turnover markers, trabecular architecture, ulnar biomechanical properties, and the expression of osteoblast‐related gene (alkaline phosphatase, ALP; osteocalcin, OCN; bone morphogenetic protein‐2, BMP‐2; Collagen I (α1), COL1; osteoprotegerin, OPG) and osteoclast‐related genes (receptor activators of NF‐κB ligand, RANKL; tartrate‐resistant acid phosphatase, TRAP) were analyzed. The results showed that ICA + CDL treatment could increase the osteocalcin (20.85%), estradiol levels (20.61%) and decrease the TRAP activity (26.27%) significantly than CDL treatment. The combined treatment attenuated bone loss and biomechanical decrease more than single use of CDL treatment. ICA + CDL treatment significantly up‐regulated the level of osteoblast‐related gene expression and down‐regulated the osteoclast‐related genes expression; moreover, the combined treatment increased the ratio of OPG/RANKL significantly compared to ICA (72.83%) or CDL (65.63%) treatment alone. The present study demonstrates that icariin in combination with constrained dynamic loading treatment may have a therapeutic advantage over constrained dynamic loading treatment alone for the treatment of osteoporosis, which would provide new evidence for the clinical treatment of osteoporosis. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:1415–1424, 2018.
Separation of structurally related primary aliphatic amines using hydrophilic interaction chromatography with fluorescence detection after postcolumn derivatization with o‐phthaldialdehyde/mercaptoethanol
Authors: Douša Michal , Doubský Jan
Published: October 2017

The retention behavior of primary aliphatic amines (homologous series of aliphatic alkyl amines and cycloalkyl amines) and positional isomers of alkylamines in the hydrophilic interaction chromatography mode was studied. The study was carried out on a TSKgel Amide‐80 column followed by postcolumn derivatization with fluorescence detection to describe the retention mechanism of tested compounds. The effect of chromatographic conditions including column temperature, acetonitrile content in the mobile phase, mobile phase pH (ranging from 3.5 to 6.8), and salt concentration in the mobile phase was investigated. The final mobile phase consisted of acetonitrile and solution of 20 mM potassium formate pH 3.5 in ratio 80:20 v/v. The analyses were carried out at mobile phase flow rate of 1.0 mL/min and the column temperature of 20°C. The developed method was fully validated in terms of linearity, sensitivity (limit of detection and limit of quantification), accuracy, and precision according to International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use guidelines. The proposed new methods were proved to be highly sensitive, simple, and rapid, and were successfully applied to the determinations of isopropylamine, cyclohexylamine, and cyclopropylamine in relevant active pharmaceutical ingredients.
Viruses on the menu: The appendicularianOikopleura dioicaefficiently removes viruses from seawater
Authors: Lawrence Janice , Töpper Joachim , Petelenz‐Kurdziel Elżbieta , Bratbak Gunnar , Larsen Aud , Thompson Eric , Troedsson Christofer , Ray Jessica Louise
Published: October 2017

Appendicularians are planktonic marine tunicates with elaborate filter‐feeding houses that can efficiently trap particles as small as 0.2 μm. While marine viruses are seldom considered outside their role in disease transmission, we conducted a controlled laboratory experiment to determine if the appendicularianOikopleura dioicacan trap and ingest theEmiliania huxleyivirus (EhV; 160–180 nm diameter). Removal and retention of EhV during 2.5 h and overnight incubations at 15°C were measured using flow cytometry and quantitative polymerase chain reaction specific for themcpgene of EhV. The fate of retained EhV was tested by quantifying EhV DNA in three biological compartments: house‐trapping, ingestion/digestion, and defecation. Clearance rates for EhV varied from approximately 2 mL ind−1d−1to 50 mL ind−1d−1, with highest rates for 4–5 d‐old animals. EhV particles were cleared byO. dioicaat rates similar to those reported for larger food particles, with mean clearance rates in the 2.5 h incubations ranging from approximately 2 mL ind−1d−1to 50 mL ind−1d−1. This demonstrates efficient virus removal byO. dioicaand a previously overlooked link between the microbial loop and the classical marine food web. EhV DNA was readily detectable above background levels inO. dioicahouses, gut contents, and faecal pellets, suggesting that appendicularian houses and faecal pellets may contribute to the dispersal of viruses. Furthermore, clearance of EhV and presumably other viruses byO. dioicamay be a significant sink for viruses and thus an important factor in regulating the population dynamics of viruses and their hosts.
Soil organic carbon variability in Australian temperate freshwater wetlands
Authors: Pearse Alex L. , Barton Jan L. , Lester Rebecca E. , Zawadzki Atun , Macreadie Peter I.
Published: October 2017

Globally, there is little information on freshwater (non‐tidal) wetland below ground soil organic carbon (SOC) stocks, sequestration rates and, in particular, their within‐wetland variation. This basic information is critical for designing programs to sample SOC stocks and identifying areas that sequester large amounts of carbon so that they can be managed to prevent degradation and carbon loss. Here, focusing on temperate seasonally inundated freshwater wetlands in south‐eastern Australia, we compared SOC stocks and sequestration rates (via radiometric dating) among wetlands, within wetland locations (High water mark, Edge and Middle), and with adjacent terrestrial locations. SOC stocks varied most among wetlands but also varied inconsistently within wetlands. Wetland SOC stocks (20.4 ± 0.1 kg C m−2) were significantly greater than adjacent terrestrial locations (13.3 ± 0.1 kg C m−2). Wetland SOC sequestration rates were similar among all locations (i.e., within a wetland, ranging from 70 g C m−2 yr−1 to 87 g C m−2 yr−1). The relative lack of difference in SOC stocks among wetland locations allows for reduced within‐wetland sampling and subsequently greater replication at the wetland level, at least for temperate ephemeral freshwater wetlands, although these findings need to be confirmed over a range of wetland types. This study also produced the first estimates of temperate freshwater wetland SOC stocks and sequestration rates in Australia, and is among the first studies globally to demonstrate that seasonally inundated wetlands can sequester carbon at significant rates. It therefore provides important justification to support the protection and rehabilitation of temperate freshwater wetlands worldwide.
Swimming and rafting of E.coli microcolonies at air–liquid interfaces
Authors: Sinibaldi Giorgia , Iebba Valerio , Chinappi Mauro
Published: October 2017

The dynamics of swimming microorganisms is strongly affected by solid‐liquid and air‐liquid interfaces. In this paper, we characterize the motion of both single bacteria and microcolonies at an air‐liquid interface. Both of them follow circular trajectories. Single bacteria preferentially show a counter‐clockwise motion, in agreement with previous experimental and theoretical findings. Instead, no preferential rotation direction is observed for microcolonies suggesting that their motion is due to a different physical mechanism. We propose a simple mechanical model where the microcolonies move like rafts constrained to the air‐liquid interface. Finally, we observed that the microcolony growth is due to the aggregation of colliding single‐swimmers, suggesting that the microcolony formation resembles a condensation process where the first nucleus originates by the collision between two single‐swimmers. Implications of microcolony splitting and aggregation on biofilm growth and dispersion at air‐liquid interface are discussed.
secA, secD, secF, yajC, and yidC contribute to the adhesion regulation of Vibrio alginolyticus
Authors: Guo Lina , Huang Lixing , Su Yongquan , Qin Yingxue , Zhao Lingmin , Yan Qingpi
Published: October 2017

Vibrio alginolyticus caused great losses to aquaculture. Adhesion is an important virulence factor of V. alginolyticus. In this study, the relationship between V. alginolyticus adhesion and type II secretion system genes (secA, secD, secF, yajC, and yidC) was determined using gene silencing, qRT‐PCR and in vitro adhesion assay. The results showed that the expression of target genes and the bacterial adhesion exhibited significant decreases after transient gene silencing and stable gene silencing, which indicated that secA, secD, secF, yajC, and yidC played roles in the bacterial adhesion of V. alginolyticus. The expression of secA, secD, secF, yajC, and yidC were significantly influenced by temperature, salinity, pH and starvation. The results indicated that the expression of secA, secD, secF, yajC, and yidC were sensitive to different environmental factors, whereas environmental factors can affect V. alginolyticus adhesion via the expression of secA, secD, secF, yajC, and yidC.
Educational Needs and Considerations for a Visual Educational Tool to Discuss Parkinson's Disease
Authors: Udow Sean J. , Hobson Douglas E. , Kleiner Galit , Masellis Mario , Fox Susan H. , Lang Anthony E. , Marras Connie
Published: October 2017

Background

In our clinical experience, people with Parkinson's disease (PwP) and their caregivers have difficulty understanding the complexities of the disease, which has a multitude of symptoms and involved therapies. We undertook a needs assessment to understand the need for, and to guide the development of, an educational tool.

Methods

We invited PwP, caregivers and health care providers (HCP) from across Canada to participate in an online survey to determine the need and desired content for such a tool.

Results

Respondents included 450 PwP, 335 caregivers, and 96 HCP from across Canada. 86.5% of HCP reported that it was “very important” for patients to understand issues in PD and 84.4% would use a visual aid to explain these issues. Results showed that 81.9–95.7% of caregivers and PwP were not “very satisfied” with the explanations of all domains in PD. Non‐motor symptoms and cognitive issues were highly ranked by all groups as difficult to understand or explain. Older PwP (those with PD for less than 5 years and those who reported that their HCP spent less than 15 minutes counselling in each clinic visit) were less likely to fully understand and be satisfied with the explanations of most issues in PD.

Interpretation

There is a need for better patient education when discussing PD issues in the clinical setting. Older PwP that have been recently diagnosed have the greatest educational needs. Potential users indicate that a visual aid would help and non‐motor symptoms, particularly cognitive issues, need to be a focus of such a tool.
The fabrication of 3D surface scaffold of collagen/poly (L‐lactide‐co‐caprolactone) with dynamic liquid system and its application in urinary incontinence treatment as a tissue engineered sub‐urethral sling: In vitro and in vivo study
Authors: Zhang Kaile , Cao Nailong , Guo Xuran , Zou Qingsong , Zhou Shukui , Yang Ranxing , Zhao Weixin , Mo Xiumei , Liu Wei , Fu Qiang
Published: October 2017

Aims

To fabricate a novel nanoyarn biomaterial via a dynamic liquid electrospinning system, and to simultaneously evaluate whether nanoyarn is capable of being applied as a urinary sling for future clinical transfer.

Methods

Nanoyarn was cultured with adipose‐derived stem cells (ADSCs). Cell morphology and function were observed on nanoyarn. Female rats that underwent vagina dilatation (VD) and bilateral ovarian resection (BOR) were used as the urinary incontinence model. After 2 weeks, the cells‐sling was fixed to the suburethra. A commercial sling that tension‐free vaginal tape‐obturator (TVT‐O) was used as a control. The urodynamic test for leak point pressure (LPP) and histological tests were used to evaluate the sling's performance in vivo.

Results

The nanoyarn possessed beneficial properties and the actin filament from ADSCs, which is very similar to muscle. Rats that underwent VD and BOR maintained a low LPP, whereas the LPP in rats with VD alone recovered to normal levels within 2 weeks. LPP in the nanoyarn group gradually decreased on the three urodynamic tests post‐suburethral surgery, however, the cell‐laden nanoyarn maintained LPP at normal levels for 8 weeks; the TVT‐O group showed a significant increase in LPP at 8 weeks. Cell‐laden nanoyarn was infiltrated with more cells, collagen, and vessels than the controls.

Conclusions

The nanoyarn showed sufficient efficacy to maintain LPP in urinary incontinence rat model. In addition, it improved cell infiltration, collagen and muscle development compared to TVT‐O. Thus, the combination of ADSCs and a nanoyarn scaffold could be a promising tissue‐engineered sling for the treatment of urinary incontinence.
New mutations in the SLC7A7 gene of two chinese sisters with lysinuric protein intolerance
Authors: Zhang Guoqing , Cao Ling
Published: October 2017

Lysinuric protein intolerance (LPI) is an inherited aminoaciduria with an autosomal recessive mode of inheritance.The first two cases of sisters being diagnosed with LPI in China is contained within this report. In our cases, there were two heterozygous mutations in the SLC7A7 gene of the two sisters: deletion of c.1387: del C and IVS4+1C>T. One patient was treated with inhaled rGM‐CSF for 1.5 years at 5 μg/kg two times a day. Her condition is improving with no side effects.
PCSK9 inhibitors: when statins aren't enough
Authors: Chaplin Steve
Published: October 2017

The proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors, evolocumab and alirocumab, are novel lipid‐lowering agents that can produce a further substantial reduction in LDL cholesterol in patients who cannot reach target using standard therapy with statins and ezetimibe. This article examines the current approaches to lipid‐lowering for primary and secondary prevention of cardiovascular disease and the place of these new agents in therapy.
Traumatic left main bronchial rupture: delayed but successful outcome of robotic‐assisted reconstruction
Authors: Wang Hu‐Lin C. , How Cheng‐Hung , Lin Heng‐Fu , Lee Jang‐Ming
Published: October 2017

Tracheobronchial injuries are rare but life‐threatening conditions in patients with blunt thoracic trauma. The diagnosis and management of such injury may often be delayed due to other concomitant severe injuries. No reported case of a robotic‐assisted bronchial reconstruction has ever been performed for a traumatic bronchial injury. A 23‐year‐old male suffered from traumatic left main bronchial (LMB) rupture with an initial presentation of pneumothorax and pneumomediastinum that eventually progressed to left main bronchus fibrosis and total obstruction, which led to left lung atelectasis and consolidation. Minimally invasive robotic‐assisted sleeve surgery, 33 days after the initial trauma, successfully reconstructed the left main bronchus with satisfactory morphological and functional results. Recognition of a bronchial injury and precise localization of the lesion is mandated to ensure a prompt and adequate salvage surgical procedure in order to help patients recover from this critical condition.
Electrochemical Investigation of Glucose Oxidation on a Glassy Carbon Electrode Using Voltammetric, Amperometric, and Digital Simulation Methods
Authors: Raziq Abdul , Tariq Muhammad , Hussian Riaz , Mehmood Muhammad Haris , Khan Muhammad Saleem , Hassan Ayaz
Published: October 2017

In this paper, we report the use of glassy carbon electrode for electrochemical oxidation of glucose in basic medium. The effect of glucose concentration, scan rate, and point potential was studied. Heterogeneous electron transfer parameters such as standard electron transfer rate constant (k0), transfer coefficient (α), and E0 were calculated using cyclic voltammetry (CV), semi integration of cyclic voltammetry (SICV), semi differentiation of cyclic voltammetry (SDCV), and digital simulation techniques. Amperometric experiments were performed for determination of glucose concentration in basic media. These experiments show a broad linear concentration range, up to 11 mM with a sensitivity of 927.96 μAmM−1cm−2. The lower detection limit (LOD) and Lower Quantification limit (LOQ) were found to be 50 μM and 0.5 mM, respectively. Effect of interfering species such as uric acid, ascorbic acid, acetaminophen, and chloride ion on the electrocatalytic behavior of glassy carbon electrode (GCE) was also studied.
Screening of Activation Tools to Design Sulfated Saccharides
Authors: Ledru Hélène , D'Attoma Joseph , Bostyn Stéphane , Routier Sylvain , Buron Frédéric , Lopin‐Bon Chrystel
Published: October 2017

O‐Sulfonation of saccharides using thermal, microwave and flow chemistry activation modes is described. To this end, we studied the exhaustive monosulfation at position 4 and disulfation at positions 4,6 of several monosaccharides bearing a large variety of protecting groups. Additionally the regioselective 6‐O sulfonation of 4,6‐diol was explored. It is demonstrated that microwave and flow chemistry activation provide significant benefits compared to classical thermal O‐sulfonation, drastically reducing the reaction time and/or the amount of sulfating reagent. To prove the versatility of the strategy, one example of 6‐O‐sulfonation of a disaccharide is also reported.
Synthesis, X‐ray Structure, Spectral and Electrochemical Properties of Aza‐BODIPY‐Metal Dipyrrinyl Conjugates
Authors: Kumar Ankit , Ravikanth Mangalampalli
Published: October 2017

Aza‐boron‐dipyromethene (aza‐BODIPY) derivative 4 (β‐Dipyrrinyl aza‐BODIPY) was prepared readily from β‐formyl aza‐BODIPY and used as a key synthon for the preparation of aza‐BODIPY‐metal dipyrrinyl conjugates. Three aza‐BODIPY‐metal dipyrrinyl conjugates (M=Re(I), Ni(II) and Zn(II)) were prepared by treating β‐dipyrrinyl aza‐BODIPY with appropriate metal salts at reflux temperature followed by column chromatographic purification. The aza‐BODIPY‐metal dipyrrinyl conjugates were freely soluble in common organic solvents and stable in solid and in solution states. The conjugates were characterized in detail by HR‐MS, 1D & 2D NMR, absorption, electrochemical and fluorescence techniques and the structure of the one of the conjugate was deduced by X‐ray crystallography. The X‐ray structure revealed that 1,3,5,7‐tetratolyl aza‐BODIPY and Re(I) dipyrrinyl moieties in aza‐BODIPY−Re(I) dipyrrinyl conjugate were perpendicular to each other with a dihedral angle of 89°. The absorption and electrochemical studies revealed that the aza‐BODIPY and dipyrrinyl moieties in conjugates interact weakly and retain their individual properties. The aza‐BODIPY‐metal dipyrrinyl conjugates were very weakly fluorescent.
Understanding the Intramolecular Diels‐Alder Reactions of N‐Substituted N‐Allyl‐Furfurylamines: An MEDT Study
Authors: Hallooman Dhanashree , Cudian Davina , Ríos‐Gutiérrez Mar , Rhyman Lydia , Alswaidan Ibrahim A. , Elzagheid Mohamed I. , Domingo Luis R. , Ramasami Ponnadurai
Published: October 2017

The intramolecular Diels‐Alder (IMDA) reactions of N‐allyl‐furfurylamine (1a) and N‐trityl‐allyl‐furfurylamine (1b), were studied within the molecular electron density theory (MEDT) using density functional theory method [B3LYP/6‐31G(d)]. In spite of the high activation enthalpies, the low unfavourable activation entropies associated to these intramolecular processes permit these IMDA reactions to take place. The IMDA reaction of 1a is thermodynamically unfavourable. The presence of the bulky −CPh3 group in the amine nitrogen atom that destabilises the extended conformation of 1b turns the process into an exergonic one. This behaviour does not only affect the thermochemistry of the reaction, but also the kinetic parameters, thus accelerating the reaction. Electron localisation function topological analysis of the C−C single bond formation along the IMDA reaction of 1a shows a bonding pattern similar to non‐polar intermolecular Diels‐Alder reactions. The present MEDT study explains the experimental results; although the steric buttress is able to change the direction of these reversible IMDA reactions, this change is only possible due to the aromatic nature of the furanyl diene system.
On‐Skin Triboelectric Nanogenerator and Self‐Powered Sensor with Ultrathin Thickness and High Stretchability
Authors: Chen Xiangyu , Wu Yali , Shao Jiajia , Jiang Tao , Yu Aifang , Xu Liang , Wang Zhong Lin
Published: October 2017

Researchers have devoted a lot of efforts on pursuing light weight and high flexibility for the wearable electronics, which also requires the related energy harvesting devices to have ultrathin thickness and high stretchability. Hence, an elastic triboelectric nanogenerator (TENG) is proposed that can serve as the second skin on human body. The total thickness of this TENG is about 102 µm and the device can work durably under a strain of 100%. The carbon grease is painted on the surface of elastomer film to work as stretchable electrode and thus the fine geometry control of the electrode can be achieved. This elastic TENG can even work on the human fingers without disturbing body movement. The open‐circuit voltage and short‐circuit current from the device with a contact area of 9 cm2 can reach 115 V and 3 µA, respectively. Two kinds of self‐powered sensor systems with optimized identification strategies are also designed to demonstrate the application possibility of this elastic TENG. The superior characteristics of ultrathin thickness, high stretchability, and fine geometry control of this TENG can promote many potential applications in the field of wearable self‐powered sensory system, electronics skin, artificial muscles, and soft robotics.
Grouping environmental factors influencing individual decision‐making behavior in software projects: A cluster analysis
Authors: Jia Jingdong , Mo Hanlin , Capretz Luiz Fernando , Chen Zupeng
Published: October 2017

An individual's decision‐making behavior is heavily influenced by and adapted to external environmental factors. Given that software development is a human‐centered activity, individual decision‐making behavior may affect the software project quality. Although environmental factors affecting decision‐making behavior in software projects have been identified in prior literature, there is not yet an objective and a full taxonomy of these factors. Thus, it is not trivial to manage these complex and diverse factors. To address this deficiency, we first design a semantic similarity algorithm between words by utilizing the synonymy and hypernymy relationships in WordNet. Further, we propose a method to measure semantic similarity between phrases and apply it into k‐means clustering algorithm to group these factors. Subsequently, we obtain a taxonomy of the environmental factors affecting individual decision‐making behavior in software projects, which includes 11 broad categories, each containing 2 to 5 sub‐categories. The taxonomy presented herein is obtained by an objective method, and quite comprehensive, with appropriate references provided. The taxonomy holds significant value for researchers and practitioners; it can help them to better understand the major aspects of environmental factors, also to predict and guide the behavior of individuals during decision making towards a successful completion of software projects.
Desizability of the Grafted Starches Used as Warp Sizing agents
Authors: Liu Fengdan , Zhu Zhifeng , Xu Zhenzhen , Zhang Xun
Published: October 2017

An attempt is made to examine the effect of the consitituent units in the branches grafted onto the backbones of starch on the desizability of grafted starches for warp sizing. The starches investigated include starch‐g‐polyacrylamide, starch‐g‐poly(acrylic acid), starch‐g‐polyacrylate, and starch‐g‐polymethacrylate, which are synthesized via graft copolymerization in water using Fe2+‐H2O2 initiators. The desizability is evaluated by enzyme, alkali, and oxidant desizings in terms of desizing efficiency, water swellability of starch film, and the time for breaking the starch film in water. It is found that the constituent units play an important role in desizability. Hydrophilic units are superior to hydrophobic ones in improving desizability. For the (meth)acrylate units, the increase in the number of carbon atoms in alkyl esters and the presence of α‐methyl show adverse impact on desizability. An increase in the grafting ratio of starch‐g‐polyacrylamide favors improvement of the desizabity whereas the increase in the ratio of starch‐g‐poly(methyl acrylate) reduces the desizabity. Of the three desizing methods considered here, oxidant and enzyme desizings have superior desizability to alkali one.
Mimicking Base Interaction with Acidic Sites [Si–O(H)–Al] of Zeolites in Molecular Models
Authors: Lokare Kapil Shyam , Wittwer Philipp , Braun‐Cula Beatrice , Frank Nicolas , Hoof Santina , Braun Thomas , Limberg Christian
Published: October 2017

LiAlH4, LiAlMe4, or NaAlH4 react with commercially available HOSiR3, (–OSiR3 = –OSitBuMe2, –OSiPh3) to afford [Li(THF)2][Al(OSitBuMe2)4] (1), [Na(THF)2][Al(OSitBuMe2)4] (2), and [Li(THF)4][Al(OSiPh3)4] (3). Ligand exchange reactions at the alkali metal ions in 1 and 3 with pyridine, 2,2′‐bipyrimidine, and water yielded complexes [Li(py)2][Al(OSitBuMe2)4] (4), [Al(OSitBuMe2)4Li(H2O)]2(bpym) (5), and [Li(THF)(H2O)][Al(OSiPh3)4] (6). The X‐ray crystal structures of complexes 1, 3, 4, 5, and 6 are presented. The complex [quinuclidineH][Al(OSitBuMe2)4] (7), was produced via reaction of quinuclidine·hydrochloride with 2. It features a hydrogen bonding interaction between an N–H group with a Si–O–Al unit, as proposed for the surfaces of zeolites after base treatment.
Effect of manipulating animal stocking rate on the carbon storage capacity in a degraded desert steppe
Authors: Wang Zhongwu , Han Guodong , Hao Xiying , Zhao Mengli , Ding Haijun , Li Zhiguo , Wang Jing , Hamilton Alistair , Liu Yongzhi , A Lata , Hexige Baoyin
Published: October 2017

Managing the stocking rate is considered one of the most important practices influencing carbon storage on rangeland. The effects of four stocking rates consisting of a non‐grazed control (CK), light (0.15 sheep ha−1month−1), moderate (0.30 sheep ha−1month−1) and heavy (0.45 sheep ha−1month−1) were evaluated for impacts on carbon storage taking place on the Desert Steppe of Inner Mongolia, China. Carbon storage was measure in aboveground vegetation, roots and soil in August of 2009, 2011 and 2013. Both aboveground biomass (AGB) and below‐ground biomass (BGB) increased significantly as stocking rate decreased. Stocking rate also had a significant effect on both the aboveground and below‐ground carbon storage in plant biomass, but had no effect on the soil carbon. Compared to the heavy stocking rate typically practiced by local herders, lower stocking rates increased the total above‐ and below‐ground biomass carbon storage by ≥ 7%. Over the 3 year study, compared to the moderate stocking rate, the rate of carbon sequestration with a light stocking rate was 0.7 Mg C ha−1year−1. Thus, reducing stocking rate has the potential to increase C sequestration and storage, as well as maintaining animal numbers at a more sustainable level suitable for the Desert Steppe ecosystem.
Facies Analysis of Pleistocene Limestones from Neil West Coast Formation, Neil Island, Ritchie’s Archipelago of South Andaman, India
Authors: Chakraborty Arindam , Ghosh Amit K. , Mazumder Abhijit
Published: October 2017

Petrographic thin section analysis of the samples collected from the type section of Neil West Coast Formation, situated in the west coast of Neil Island yielded moderately preserved coralline red algae, benthic and planktic foraminifers, coral fragments, echinoid spines and gastropod shells. The coralline red algae are represented by both non-geniculate and geniculate forms. The non-geniculate forms belong to melobesids, lithophylloids and mastophoroides. The geniculate forms are represented by species of Amphiroa, Corallina, and Jania. However, the diversity and abundance of coralline algal forms are less in comparison to the benthic foraminifers those are represented by Amphistegina, Neorotalia, Ammonia, Elphidium, Operculina, Assilina, Amphisorus and texularids. Planktic foraminifers like Globigerinoides and other biogenic components viz., gastropod shells, echinoid spines and coral fragments are also common. A foraminiferal-algal grainstone facies has been recognized as observed in the field as well as in thin section analysis. The overall assemblage of the biogenic components and facies analysis indicate intertidal to near shore environment of deposition with high energy condition and increased hydrodynamic activity.
Hydrogeological Characterization of Aquifer in Palla Flood Plain of Delhi Using Integrated Approach
Authors: Kumar Suman , Sarkar Aditya , Thakur Sachin Kumar , Shekhar Shashank
Published: October 2017

The Yamuna flood plains spread across the northern part of Indian subcontinent is home to millions of people. The ever-growing population in these plains make it difficult to sustain the demand of freshwater resources. However, the productive aquifers of flood plains could provide solution for these issues. In this context, it is necessary to understand the aquifer characteristics. Thus, the paper attempts to characterize the aquifer in Palla area of the flood plain using integrated approach. Besides, grain size analysis and site-litholog study, the nature of aquifer material was also ascertained from bulk mineralogy of the sediments using X-Ray Diffraction. The aquifer parameters were estimated with help of long duration pumping test data. Moreover, the effect of pumping on salinity variation and hydrochemical facies evolution was also examined. The sand dominant, unconfined aquifer was estimated to have horizontal hydraulic conductivity in the range of 25 m/day and vertical hydraulic conductivity of 6-7 m /day. While the specific yield of the aquifer was estimated in the range of 0.07-0.08 .It is observed that under conducive active flood plain environment, the given sand mineralogy at the site does not allow salinity increase in groundwater even after more than a decade of groundwater pumping. In fact, over years, hydrochemical facies have evolved towards Bicarbonate type. These things put together make the active flood plain aquifer a sustainable groundwater resource.
Integrated Petrographic, Mineralogical, and Geochemical Study of the Upper Kaimur Group of Rocks, Son Valley, India: Implications for Provenance, Source Area Weathering and Tectonic Setting
Authors: Quasim M. A. , Khan Imran , Ahmad A. H. M.
Published: October 2017

The upper Kaimur Group (UKG) of the Vindhyan Supergroup in central India, primarily consists of three rock types-Dhandraul sandstone, Scarp sandstone and Bijaigarh shale. The present study aims to reconstruct the parent rock assemblages, their tectonic provenance, mineralogy, weathering intensity, hydraulic sorting and depositional tectonic setting. Samples from the UKG rocks representing the Dhandraul sandstone, Scarp sandstone and Bijaigarh shale were studied using a combination of petrographic, mineralogical, and geochemical techniques. Texturally, medium to coarse grained UKG sandstones are mature and moderate to well sorted. Deficiency of feldspars in these sandstones indicates that the rocks are extensively recycled from distant sources. Their average modal composition for Scarp (avg. Qt99F0.2L0.8) and Dhandraul (avg. Qt99 F0.1L0.8) sandstones, classifies them as quartz arenite to sub-litharenite types, which is consistent with geochemical study. Major element concentrations revealed that sandstones have high SiO2, K2O > Na2O, and low Fe2O3, which are supported by the modal data. On the other hand, sandstone samples are enriched in most trace elements such as Ce, Sr, V, Sc and Zr and depleted in U and Th. The CIA values (43.17-76.48) of the UKG rocks indicate low to moderate weathering, either of the original source or during transport before deposition, which may have related to low-relief and humid climatic conditions in the source area. Further, petrographic and geochemical interpretations indicate that they are derived from craton interior to quartzose recycled sedimentary rocks and deposited in a passive continental margin. Therefore, granitic and low grade metamorphic rocks of Mahakoshal Group and Chotanagpur granite-gneiss, situated on the southern and south-eastern side of the Vindhyan basin are suggested as possible provenance for the UKG rocks.
Depositional Conditions, Characteristics and Source of Rare Earth Elements in Carbonate Strata of the Albian Asu River Group, Middle Benue Trough, North Central Nigeria
Authors: Idakwo S. O.
Published: October 2017

Major, trace and rare earth elements (REE) concentrations in limestone beds of the Asu River Group within the Middle Benue Trough were measured to understand the depositional conditions, characteristics and source of REE. The limestone has high content of CaO (Average of 46.55%), followed by SiO2 (Average of 7.90 %), Fe2O3(t), MgO and Al2O3. The limestones are depleted in most of the trace elements (Co, V, Rb, Ba, Zr, Y, Nb, Hf and Th) when compared with the Post-Archean Australian Shale (PAAS). The observed large variations in ΣREE contents among various limestones of the present study (12.22 to 142.53ppm) are mainly due to the amount of terrigenous matter present in them. The characteristics of non-seawater-like REE patterns, elevated REE concentrations, high LaN/YbN ratios and low Y/Ho ratios, suggest that the observed variations in ΣREE contents are mainly controlled by the amount of detrital sediments in the limestones of the Asu River Group in the middle Benue trough. The observed variations in Ce contents and Ce anomalies in the studied samples resulted from detrital input. The limestones show positive Mn* values (0.30 to 0.78) and low contents of U (∼0.60-3.20 ppm) suggesting that they were deposited under oxygen-rich environment.
Determinants of compulsive buying behavior among young adults: The mediating role of materialism
Authors: Islam Tahir , Wei Jiuchang , Sheikh Zaryab , Hameed Zahid , Azam Rauf I.
Published: October 2017

This research seeks to determine what makes young adults materialistic. The study examines the mediating role of materialism between the contextual factors and compulsive buying. Data was gathered from 219 Pakistani undergraduate university students. Partial Least Square (PLS) technique was used to analyze the data. The study confirms the intuition that more materialistic young adults are more likely to be involved in compulsive buying than are less materialistic young adults. The results were similar with the previous literature conducted in the western culture, indicating that also applies in a modern Islamic society. The findings of the study reveal that materialism mediated the relationship between certain sociological factors (i.e., group, media Celebrity endorsement, and TV advertisement) and compulsive buying. The study highlights the importance of understanding young adults' materialistic attitudes and consumption decisions and provides key knowledge for researchers, policymakers, and managers of leading brands.
Benefits and obstacles of sustainable product development methods: a case study in the field of urban mobility
Authors: Stark Rainer , Buchert Tom , Neugebauer Sabrina , Bonvoisin Jérémy , Finkbeiner Matthias
Published: October 2017

In the last few years, numerous approaches have been introduced for supporting design engineers in developing more sustainable products. However, so far, these efforts have not led to the establishment of a commonly acknowledged standard methodology for Sustainable Product Development (SPD). This brings into question the relevance of developing new methods and calls for more efforts in testing the available ones. This article provides a reflection about the benefits and obstacles of applying existing SPD approaches to a real product development project. It reports the results of a project aimed at developing a new mobility solution under the constraints of sustainability-related targets. This project has led to the development of a new pedelec concept, focusing on the substitution of small passenger cars with the help of three SPD methods – Design for Sustainability Guidelines, Product Sustainability Index, and Life Cycle Sustainability Assessment. These methods have proved to be generally beneficial, thanks to a combination of qualitative and quantitative perspectives. However, the multitude of criteria offered by the methods put forth difficulties in evaluating which sustainability aspects are relevant and therefore lead to higher effort for information retrieval analysis and decision processes. Furthermore, the methods still lack an integrated perspective on the product, the corresponding services and the overarching system.
An Examination of Tail Dependence in Bordeaux Futures Prices and Parker Ratings
Authors: Cyr Don , Kwong Lester , Sun Ling
Published: October 2017

This paper explores the nonlinearities of the bivariate distribution of Bordeauxen primeur, or wine futures, prices and Parker “barrel ratings” for the period of 2004 through 2010. In particular, copula-function methodology is introduced and employed to examine the nature of the bivariate distribution. Our results show a significant nonlinear relationship between Parker ratings and wine prices, characterized by significant positive tail dependence and higher correlation between high ratings and high prices. Marginal distributions for Parker ratings and wine prices are then identified and Monte Carlo simulation is employed to operationalize the relationship for risk-management purposes. (JEL Classifications: C19, G13, L66)
PRICING EUROPEAN OPTIONS ON REGIME-SWITCHING ASSETS: A COMPARATIVE STUDY OF MONTE CARLO AND FINITE-DIFFERENCE APPROACHES
Authors: ZENG X. C. , GUO I. , ZHU S. P.
Published: October 2017

A numerical comparison of the Monte Carlo (MC) simulation and the finite-difference method for pricing European options under a regime-switching framework is presented in this paper. We consider pricing options on stocks having two to four volatility regimes. Numerical results show that the MC simulation outperforms the Crank–Nicolson (CN) finite-difference method in both the low-frequency case and the high-frequency case. Even though both methods have linear growth, as the number of regimes increases, the computational time of CN grows much faster than that of MC. In addition, for the two-state case, we propose a much faster simulation algorithm whose computational time is almost independent of the switching frequency. We also investigate the performances of two variance-reduction techniques: antithetic variates and control variates, to further improve the efficiency of the simulation.
Kindness toward One’s Self and Body: Exploring Mediational Pathways between Early Memories and Disordered Eating
Authors: Ferreira Cláudia , Oliveira Sara , Mendes Ana Laura
Published: October 2017

Recent literature has emphasized the role played by early emotional experiences on body image and eating-related psychopathology. Nevertheless, the mechanisms underlying the link between positive rearing experiences and eating psychopathology remain scarcely explored. Thus, this study aimed to explore a model in which it was hypothesized that early emotional experiences, characterized by warmth, safeness, and soothing, are negatively associated with disordered eating through higher levels of self-compassion and a more positive and caring relationship with one’s own body. The study’s sample comprised 490 women who completed an Internet based survey comprising self-report measures of interest. Path analysis’ results revealed that self-compassion and body appreciation fully mediated the impact of early positive emotional memories on eating psychopathology, when controlling the effect of age and Body Mass Index. The plausibility of the path model was examined by the Chi-Square and the several fit indicators which revealed a very good fit, accounting for 49% of eating psychopathology’s variance. Specifically, results demonstrated that 13% of self-compassion’s variance was explained by positive early emotional memories. Also, early positive memories showed both direct and indirect (via self-compassion) positive effects on body appreciation, accounting for 34% of its variance. Additionally, results revealed that positive early emotional experiences predicted lower levels of disordered eating, via higher levels of self-compassion and body appreciation. By emphasizing the importance role of self-compassion and body appreciation against body image and eating psychopathology, the current study may offer important insights for future research and for the development of intervention programs.