bluuebunny/crossref_metadata_2025 huggingface dataset:
Age and Growth of Juvenile Atlantic Sturgeon in the Lower Hudson River
Authors: Kehler Thomas , Sweka John A. , Mohler Jerre , Higgs Amanda , Kenney Gregg
Published: April 2018

The precipitous decline of Atlantic Sturgeon Acipenser oxyrinchus oxyrinchus coupled with their recent listing under the U.S. Endangered Species Act necessitates investigations into their population dynamics. Our objectives were to (1) estimate age of juvenile Atlantic Sturgeon by using pectoral spine sections; (2) determine annual growth periodicity in hatchery-reared and recaptured wild Atlantic Sturgeon to validate our aging method; (3) determine growth rates for recaptured juveniles; and (4) back-calculate lengths from ages estimated by using pectoral spine sections from captured juveniles. Fish were captured via gillnetting in Newburgh and Haverstraw bays, Hudson River, during fall 2003, spring and fall 2004, and spring and fall 2005. Two readers agreed upon 91% (n = 474) of ages estimated for juvenile Atlantic Sturgeon, establishing a coefficient of variation of 1.7%. Eight year-classes (ages 1–8) were represented, with age-4 fish making up the largest age-class (39%; n = 203) and age-1 fish being the least represented (<1%; n = 4). Multi-annual oxytetracycline injections in four cohorts of hatchery-reared Atlantic Sturgeon (n = 34) demonstrated a two-part zone for each year of growth, as did four recaptured juveniles that were at liberty for a least 1 year, which exhibited mean growth rates of 0.3 mm/d and 2.4 g/d. We back-calculated median FLs from annulus positioning in ages 2–8 by using dorsal and ventral lobes of pectoral spine sections and compared the results to actual reported lengths. Dorsal and ventral lobes underestimated the median FLs of all age-classes except ages 3 and 7, for which lengths were overestimated. We found statistical differences between dorsal- and ventral-derived median FLs, suggesting that both regions must be evaluated. Our overall goal is to provide researchers with a baseline of age and growth data for future work on juvenile Atlantic Sturgeon.
A study on the S‐version FEM for a dynamic damage model
Authors: Xu Qiang , Chen Jianyun , Yue Hongyuan , Li Jing
Published: April 2018

A mesh superposition technique is developed based on the superimposed version FEM (s‐version FEM) for dynamic analysis of damage to structures. In the proposed technique, the concerned area is discretized as a rough global mesh and is overlaid into a fine local mesh of the proposed s‐version FEM. To describe the small‐scale stress wave, the governing equations for the internal part and boundary of the local region are proposed. The damage evolving constitutive model is substituted into these governing equations to describe the distributions of damage on a small scale. L‐shape domain problem, modal, time history, and damage examples are given for the validations. The results show that the proposed s‐version FEM can refine a global mesh and accurately describe the damage, stress, and deformation of a concerned area of structure on the small scale. The proposed s‐version FEM can be applied to not only a dynamic problem but also a damage analysis of structures.
Expression of RSOsPR10 in rice roots is antagonistically regulated by jasmonate/ethylene and salicylic acid via the activator OsERF87 and the repressor OsWRKY76, respectively
Authors: Yamamoto Takahiro , Yoshida Yuri , Nakajima Kazunari , Tominaga Makiko , Gyohda Atsuko , Suzuki Hiromi , Okamoto Takashi , Nishimura Takeshi , Yokotani Naoki , Minami Eiichi , Nishizawa Yoko , Miyamoto Koji , Yamane Hisakazu , Okada Kazunori , Koshiba Tomokazu
Published: April 2018

Plant roots play important roles in absorbing water and nutrients, and in tolerance against environmental stresses. Previously, we identified a rice root‐specific pathogenesis‐related protein (RSOsPR10) induced by drought, salt, and wounding. RSOsPR10 expression is strongly induced by jasmonate (JA)/ethylene (ET), but suppressed by salicylic acid (SA). Here, we analyzed the promoter activity of RSOsPR10. Analyses of transgenic rice lines harboring different‐length promoter::β‐glucuronidase (GUS) constructs showed that the 3‐kb promoter region is indispensable for JA/ET induction, SA repression, and root‐specific expression. In the JA‐treated 3K‐promoter::GUS line, GUS activity was mainly observed at lateral root primordia. Transient expression in roots using a dual luciferase (LUC) assay with different‐length promoter::LUC constructs demonstrated that the novel transcription factor OsERF87 induced 3K‐promoter::LUC expression through binding to GCC‐cis elements. In contrast, the SA‐inducible OsWRKY76 transcription factor strongly repressed the JA‐inducible and OsERF87‐dependent expression of RSOsPR10. RSOsPR10 was expressed at lower levels in OsWRKY76‐overexpressing rice, but at higher levels in OsWRKY76‐knockout rice, compared with wild type. These results show that two transcription factors, OsERF87 and OsWRKY76, antagonistically regulate RSOsPR10 expression through binding to the same promoter. This mechanism represents a fine‐tuning system to sense the balance between JA/ET and SA signaling in plants under environmental stress.
Circumstances of suicide among individuals with a history of cancer
Authors: Massetti Greta M. , Holland Kristin M. , Jack Shane P.D. , Ragan Kathleen R. , Lunsford Natasha Buchanan
Published: April 2018

Objective

Cancer can trigger psychological distress, which may be associated with risk of suicide. We explored precipitating circumstances of suicides among decedents with and without a history of cancer.

Methods

Coroner or medical examiner and law enforcement narratives of adult suicides were coded from 17 participating states in Centers for Disease Control and Prevention's National Violent Death Reporting System during 2004 to 2013. Bivariate and multivariate analyses examined associations between cancer history and factors that precipitated suicide.

Results

Of 90 581 suicides, 4182 decedents (4.6%) had a history of cancer. Significantly more decedents with a history of cancer (versus without) were male, non‐Hispanic white, married, veterans, and aged 55 or older (P < .001). Decedents with a history of cancer were more likely to die of suicide by firearm and less likely to die of suicide by suffocation compared to poisoning. In matched case analyses controlling for demographic and recent circumstances, fewer decedents with a history of cancer had mental health problems, history of suicide attempts, alcohol use problems, intimate partner problems, financial problems, job problems, and recent crisis.

Conclusions

Findings highlight the potential to identify high‐risk populations for suicide prevention in clinical practice.
Electrical dynamics of isolated cerebral and skeletal muscle endothelial tubes: Differential roles of G‐protein‐coupled receptors and K+ channels
Authors: Hakim Md A. , Buchholz John N. , Behringer Erik J.
Published: April 2018

Electrical dynamics of freshly isolated cerebral endothelium have not been determined independently of perivascular nerves and smooth muscle. We tested the hypothesis that endothelium of cerebral and skeletal muscle arteries differentially utilizes purinergic and muscarinic signaling pathways to activate endothelium‐derived hyperpolarization. Changes in membrane potential (Vm) were recorded in intact endothelial tubes freshly isolated from posterior cerebral and superior epigastric arteries of male and female C57BL/6 mice (age: 3‐8 months). Vm was measured in response to activation of purinergic (P2Y) and muscarinic (M3) receptors in addition to small‐ and intermediate‐conductance Ca2+‐activated K+ (SKCa/IKCa) and inward rectifying K+ (KIR) channels using ATP (100 μmol·L−1), acetylcholine (ACh; 10 μmol·L−1), NS309 (0.01‐10 μmol·L−1), and 15 mmol·L−1 KCl, respectively. Intercellular coupling was demonstrated via transfer of propidium iodide dye and electrical current (±0.5‐3 nA) through gap junctions. With similarities observed across gender, peak hyperpolarization to ATP and ACh in skeletal muscle endothelial tubes was ~twofold and ~sevenfold higher, respectively, vs cerebral endothelial tubes, whereas responses to NS309 were similar (from resting Vm ~−30 mV to maximum ~−80 mV). Hyperpolarization (~8 mV) occurred during 15 mmol·L−1 KCl treatment in cerebral but not skeletal muscle endothelial tubes. Despite weaker hyperpolarization during endothelial GPCR stimulation in cerebral vs skeletal muscle endothelium, the capability for robust SKCa/IKCa activity is preserved across brain and skeletal muscle. As vascular reactivity decreases with aging and cardiovascular disease, endothelial K+ channel activity may be calibrated to restore blood flow to respective organs regardless of gender.
Evaluation of movement behaviors to inform toxic baiting strategies for invasive wild pigs (Sus scrofa)
Authors: Lavelle Michael J , Snow Nathan P , Halseth Joseph M , VanNatta Eric H , Sanders Heather N , VerCauteren Kurt C
Published: April 2018

BACKGROUND

Invasive wild pigs damage agriculture, property, and natural ecosystems. To curtail damage, an effective and humane toxic bait containing microencapsulated sodium nitrite is under development. Strategies for delivering the toxic bait are needed to establish adequate spacing of bait sites, and for simultaneously accustoming wild pigs to the novel bait and wild pig‐specific bait stations designed to exclude non‐target species.

RESULTS

We monitored movements of 32 Global Positioning System (GPS)‐collared wild pigs relative to 41 bait sites containing placebo bait. Among the bait sites, we compared three experimental baiting strategies (and a control) to evaluate which strategy led to the most wild pigs accessing the placebo bait inside bait stations. We found that bait sites should be spaced 0.5–1 km apart to maximize opportunities for all wild pigs to find and utilize the bait sites. Baiting strategies that allowed ≥ 15 days for accustoming wild pigs to bait stations were most effective and resulted in nearly 90% of wild pigs accessing the placebo bait inside the bait stations. Bait stations excluded all non‐target animals, except one instance with a raccoon (Procyon lotor).

CONCLUSION

These results demonstrate the potential for toxic bait to be an effective tool for reducing populations of wild pigs with minimal risks to non‐target species, if optimized delivery procedures are followed. © 2018 Society of Chemical Industry
Continuous Wave Terahertz Sensing Using GaN HEMTs
Authors: Javadi Elham , Delgado‐Notario Juan A. , Masoumi Nasser , Shahabadi Mahmoud , Velázquez‐Pérez Jesus E. , Meziani Yahya M.
Published: April 2018

A commercial GaN high electron mobility transistor (HEMT) is investigated as efficient detector of terahertz radiations. Enhancement of the photoresponse in excess of one order of magnitude (up to 1 kV W−1) is obtained when a constant drain‐to‐source current is applied. The photoresponse remains unchanged with chopping frequency up to 5 kHz demonstrating a high‐speed response of GaN HEMT detectors. It is demonstrated that the bounding wires play an important role to couple terahertz radiations to the channel of the device. Terahertz imaging of hidden objects by using GaN HEMTs as a sensor is also demonstrated.
Boost the success of students with disabilities
Authors: Thompson Tom L.
Published: April 2018

If you listen carefully, you can hear groans and sounds of exasperation coming from the offices of senior student affairs professionals. Why? They have just received news from their disability resources and services offices that $25,000 is needed for a book to be produced in Braille, or that a deaf medical student's interpreting and captioning is estimated to cost $40,000.
Follow tips for taking (and enjoying) a vacation
Authors: Costa Karen
Published: April 2018

When I worked full time as a college administrator, I would typically take a two‐week vacation during the summer.
One Pot Synthesis and Biological Evaluation of Some New Pyridine‐3,5‐dicarbonitrile Derivatives
Authors: Joshi Hitendra , Shah Nirav , Sakar Dhiman , Desai N. C. , Jadeja Krunalsinh A.
Published: April 2018

We have developed eco‐friendly route for the synthesis of title compounds by using simple compounds like aromatic aldehydes, malononitrile, 4‐bromothiophenol and NaHCO3. In continuation to this, a series of pyridine‐3,5‐dicarbonitriles were synthesized with excellent yields and assessed for their in vitro antitubercular and antimicrobial activity. The results of the antimicrobial study showed potent antimicrobial activity as compared to the standard drugs (Chloramphenicol and Griseofulvin). It was noticed that the presence of electron donating groups significantly increases the antibacterial activity of the newly synthesized compounds. The title compounds further evaluated for antitubercular activity and from the promising results, they were found to possess significant biological activity against M. tuberculosis.
Carbon‐Nanotube‐Encapsulated LiTiOPO4 Composite Electrode for Aqueous Rechargeable Battery Applications
Authors: Puttaswamy Rangaswamy , Suresh Gurukar Shivappa , Mahadevan Kittappa Malavalli , Arthoba Nayaka Yanjerappa
Published: April 2018

A Single‐walled carbon nanotube (SWCNTs)‐encapsulated orthorhombic LiTiOPO4 (LTOP) anode material was explored for use in an aqueous electrolyte. The aqueous rechargeable Li‐ion battery was constructed by using LTOP/SWCNTs anode and LiFePO4@C (LFP@C) as a cathode in sat. Li2SO4 aqueous electrolyte. The LTOP has been synthesized by using a very simple method through a single‐step procedure. Quantitative structural and morphological features of LTOP have been studied via X‐ray diffraction, Raman spectra, scanning electron microscopic, energy dispersive X‐ray analysis, BET surface area analysis and transmission electron microscopy studies. The electrochemical properties and performance of the battery have been evaluated in half‐cell (LTOP/SWCNTs vs. SCE) as well as a full‐cell configuration with LFP@C as a cathode. Cyclic voltammetry (CV) was carried out to determine the redox properties and stability. After the CV, electrochemical performance and properties of LTOP/SWCNTs were evaluated through galvanostatic cycling with potential limitation and electrochemical impedance spectroscopic techniques. Further, we have also demonstrated the electrochemical performance and properties of LTOP/SWCNTs composite in the non‐aqueous electrolyte.
Electrical Nucleotide Sensor Based on Synthetic Guanine‐Receptor‐Modified Electrodes
Authors: Ohshiro Takahito , Verma Rajiv Kumar , Yokota Kazumichi , Tsutsui Makusu , Mukherjee Sanjukta , Kawai Tomoji , Nakatani Kazuhiko , Taniguchi Masateru
Published: April 2018

Methyl 2‐carbamate‐1,8‐naphthyridine thiophenolate derivative (NCTP) has been designed and synthesized, which can selectively bind to guanine derivatives. We immobilized NCTP on gold electrode and performed cyclic voltammetry analysis for guanosine sensing. The current blockage data obtained from these NCTP immobilized electrodes suggest that electrodes have higher selectivity for 2’‐deoxyguanosine monophosphate (dGMP) than 2’‐deoxythymidine monophosphate (dTMP), 2’‐deoxycytidine monophosphate (dCMP), and 2’‐deoxyadenosine monophophate (dAMP). Thus, synthetic reader molecule NCTP, which has complementary hydrogen bonding surface for guanine derivatives, could be useful for the sensing of guanosine mononucleotides and polynucleotides.
Enhanced Charge Transfer Aptitude Resulting in Remarkable Chromogenic F‐ Sensing in a Naphthalene‐Benzocaine Platform by Simple Atomic Substitution: Azo Dye versus Schiff‐Base
Authors: Bhattacharyya Arghyadeep , Makhal Subhash Chandra , Ghosh Soumen , Guchhait Nikhil
Published: April 2018

We hereby report two compounds, (E)‐1‐(2‐(4) phenyldiazenyl) naphthalen‐2‐ol (AD) and (E)‐ethyl 4‐((2‐hydroxynaphthalen‐1yl) methyleneamino) benzoate (SB) and compared their respective responses towards F− ion. AD being an azo dye acts as a chromogenic sensor for F− and displays a color change from yellow to purple and can also detect F− in a mixture of anions. On the other hand, SB (a Schiff base) shows a deepening of its already existing yellow color in presence of F− but in presence of mixture of anions the response is very poor. The theoretically optimized structural analyses of AD and SB show that the extended intramolecular charge transfer (ICT) present in AD is accountable for the successful sensing of F−. The limits of detection for SB and AD were calculated to be 483 ppb and 18.3 ppb respectively. Thus, by simple manipulation of a functional group an efficient chromogenic F− sensor could be constructed, thereby establishing the superiority of azo dye over Schiff base as far as Fluoride sensing is concerned.
α‐Fe2O3/TiO2 Hybrids with Tunable Morphologies as Efficient Photocatalysts and Positive Electrodes for Supercapacitors
Authors: Chakravarty Mayukh , Das Anupam , Sarma Chitralee , Roy Poulomi
Published: April 2018

Herein, we report the fabrication of α‐Fe2O3/TiO2 hybrid structures in the form of microrods, microtubes and nanorods by co‐precipitation method and via wet chemical method. The combination of α‐Fe2O3 and mixed phase (anatase and rutile) TiO2 as hybrid structure not only enhances the light absorption ability but also facilitates charge separation resulting effective dye degradation. The detailed studies of photocatalytic dye degradation on α‐Fe2O3/TiO2 system were carried out to understand the mechanism. The α‐Fe2O3/TiO2 hybrid nanorods exhibited the best performances as photocatalyst as well as supercapacitor electrode with excellent stability in both cases. The α‐Fe2O3/TiO2 hybrid nanorods exhibited efficient 88% dye degradation after 120 min as photocatalyst and a specific capacitance value of 478.40 F g−1 was achieved at current density of 1 A g−1 with a capacity retention value of 92% at 2 A g−1 after 1000 cycles. It is anticipated that the anisotropic structure as well as the synergistic effect of α‐Fe2O3 and TiO2 make the hybrid material a promising photocatalyst as well as potential electrode for supercapacitor.
Induction of Catalytic Activity in ZnO Loaded Cobalt Based MOF for the Reduction of Nitroarenes
Authors: Kaur Rupinder , Chhibber Manmohan , Mahata Partha , Mittal Susheel K.
Published: April 2018

Amalgamating the robust structures of metal organic frameworks with nanoparticles is one of the most devisable and logical approach in order to enhance their applicability. We report herein an easy wet impregnation method for loading ZnO nanoparticles with tunable sizes and shapes on a cobalt based metal organic framework constructed by using CoCl2.6H2O and 4, 4’‐oxy‐bis (benzoic acid) (OBA). The size, composition and morphology of nanoparticles were characterized using powder X‐ray diffraction (P‐XRD), energy dispersive X‐ray spectroscopy (EDX), high resolution transmission electron microscopy (HR‐TEM), Raman spectroscopy, X‐ray Photoelectron spectroscopy (XPS) and UV‐Diffuse reflectance spectroscopy. The incorporation of nanoparticles does not affect the overall structural integrity of the framework whereas it induces the heterogenous catalytic capability for the reduction of nitro aromatics to their corresponding amines under benign conditions, which cannot be realized using bare MOF.
TiN‐Cu Heterogeneous Nanocatalysts for Effective Depolymerisation of Oxidised Lignin
Authors: Rashidi Masih , Konarova Muxina , Aslam Waqas , Beltramini Jorge Norberto
Published: April 2018

Lignin is one of the important resource for production of aromatics from lignocellulosic biomass. Effective depolymerisation of lignin is dependent on improvement of successful strategies for production of lower blocks of chemicals from lignin. Herein, a successful strategy for lignin depolymerisation is proposed based on, a two‐step selective oxidation and hydrogenolysis sequence, which efficiently cleaves lignin intermolecular bonds. The first step of this procedure is selective oxidation of lignin, which facilitates the lignin cleavage. The second step is hydrogenolysis conducted in the presence of titanium nitride supported copper (TiN−Cu) nanocatalysts. This two‐step lignin depolymerization produced more than 56 wt % valuable single‐ring aromatic compounds. The TiN−Cu nanocatalysts synthesised were inexpensive, effective and proven to have superior activity comparable to traditional noble metal based catalysts.
Consistent Binding Aptitude of Halides and Oxyanions via Cooperative vs. Non‐Cooperative Binding Modes by Neutral Napthyl Bis‐Urea Receptors
Authors: Nayak Biswajit , Manna Utsab , Das Gopal
Published: April 2018

Two electron‐rich napthyl ring containing bisurea receptor derived fromortho(L1) andmeta(L2)‐phenylenediamine moiety were designed and synthesized for investigating their anion coordination behavior.L1self‐assembled in presence of organic terephthalate anion into a dimeric pseudo‐capsular host‐assembly sealed by tetrabutylammonium counter cation (Complex1 c). However,L2self‐assembled in 2:4 host‐guest fashions (Complex2 d) with H‐bonded dihydrogenphosphate tetrameric anionic guest in the presence of excessn‐TBA (H2PO4). Further, receptorL1has been found to self‐assembled into unimolecular cooperative 1:1 complex in presence of spherical Chloride anion (Complex1 a) and planar Acetate anion (Complex1 b). Moreover, receptorL2forms similar kind of non‐capsular host‐guest assembly in presence of spherical halides like Cl−, Br−, and F−. To validate the result obtained in the solid state studies,1H‐NMR titration experiments have also been performed usingn‐TBA salts of anions to inspect the solution state anion binding behavior of isomeric receptorsL1andL2.
Glycerol‐K2CO3 Deep Eutectic Solvent as Environmentally Friendly Media with Basic and Dehumidifier Synergistic Effect for Running of Willgerodt‐Kindler Reaction
Authors: Radfar Iman , Abbasi Sepideh , Miraki Maryam Kazemi , Yazdani Elahe , Karimi Meghdad , Heydari Akbar
Published: April 2018

In this report, a different green method of thioamidation promoted an almost quitted procedure: Willgerodt‐Kindler (W‐K) reaction. In order to eliminate the major problems in the W‐K process: H2S releasing and also high‐temperature condition, a known Deep Eutectic Solvent (DES) exhibited a solution for such concerns. Use of Glycerol‐K2CO3 as a DES (Gly‐K2CO3 DES; 10:1 (mL: mmol)) is respect to its basic besides dehumidifying nature. Our next focus dedicated to the synthesis of new derivatives by altering acetophenone (as an alkyl aryl ketones) and secondary‐type amines. The efficient and optimized circumstances were assigned 30 min to 5 hours for reaction time and at 80°C to 100°C led to 71–88% yields for final thioamides.
From Dual to Discriminatory Sensing of CN‐/F‐Using Isomeric Molecules and Ascertained by Spectroscopic and DFT Methods
Authors: Sharma Sanyog , Singh Sran Balkaran , Singh Narinder , Hundal Geeta
Published: April 2018

A series of three anthracene anchored dipodal chromogenic sensors appended with hydroxyl groups with different arrangements with respect to each other i. e., ortho (1), meta (2) and para (3) have been synthesized and evaluated as F− and CN− ion sensors. These sensors show variation in their selectivity response i. e. (1) equally responds to F− and CN− ions, (2) mainly responds to F− ion with slight interference from CN− while (3) totally discriminates between the two, being highly selective to F− ions only. This selectivity has been attributed to the acid‐base phenomenon which affects reactivity, sensitivity and selectivity of the sensors.
Thermal Energy Storage Capability of Polyurethane Foams Incorporated with Microencapsulated Phase Change Material
Authors: Qu Lijie , Li Aiming , Gu Jinjia , Zhang Chunling
Published: April 2018

Polyurethane (PU) foam composites with improved thermal energy storage capability were fabricated. Composites were designed based on PU and microencapsulated phase change materials (microPCMs) with poly (methyl methacrylate) (PMMA) shell and n‐octadecane core. MicroPCMs prepared with three kinds of emulsifiers were investigated and compared. Styrene and maleic anhydride (SMA) copolymers were the most efficient emulsifiers, because they resulted in the formation of distinct spherical morphologies and high encapsulation rate (48.92%) of microPCM(SMA). The thermal energy storage property of the microPCM(SMA)/PU foam composites with added microPCM(SMA) was determined and improved, with melting and crystalline enthalpy increased to 8.6 J g−1. Thermogravimetry analysis showed the thermal stability of the materials, and the residue left was promoted to 17.8 wt.%. Therefore, PU foam composites with microPCMs have excellent potential for thermal energy storage applications.
Facile Fabrication of Organic‐Inorganic Hybrid Material Based on Well‐Dispersed AuNPs on Organo‐Functionalised Zn‐Al‐Layered Double Hydroxides for Hydroamination of 1‐Hexene
Authors: Sahoo Mitarani , Parida Kulamani
Published: April 2018

A pioneering technique has been developed to design an organic‐inorganic hybrid material where small sized gold nano particles (2‐5 nm AuNPs) are uniformly dispersed on organo functionalized Zn−Al layered double hydroxide (LDH). Primarily a novel clay based hybrid material can be synthesized by grafting of organo silane groups (i. e. amino propyl triethoxy silane (APTS) and (3‐Mercaptopropyl) trimethoxy silane (MPTS)) onto the LDH layer. This hybrid material can control the crystal growth of AuNPs to generate a very small particle size and lock the position of consecutive AuNPs which prevent agglomeration. A regular characterisation was performed by various techniques. The TEM image revealed the formation of well dispersed AuNPs (having average particle sizes is 2–5 nm) on functionalised LDH. Diffuse reflectance spectra confirmed that the nucleation of AuNPs forms without any aggregation. Successful grafting of APTS and MPTS onto the LDH layers is confirmed from FTIR and NMR spectroscopy. The heterogeneous catalyst proves an excellent catalytic activity towards hydroamination reaction of 1‐hexene (addition of amine to inactivated alkenes). Interestingly AuNPs on organo functionalised LDH showed better catalytic activity and stability as compared to that of parent ZnAl‐LDH. Superior catalytic activity was generally endorsed to the small particle size of gold which is due to the synergistic effect between AuNPs with amine or thiol pendant of organic moiety APTS or MPTS respectively. The heterogeneous catalysts, i. e. AuNPs on thiol functionalized LDH, show 92% product yield and AuNPs on amine functionalized afford 95% product yield towards hydroamination reaction without the requisite of any acid promoters. The hybrid material can be recovered and reused, which is a green and economical process for commercial application.
Study on the Preparation and Characterizations of an Improved Porous Ti/TiO2/CdS‐CNT/C3N4 Photoelectrode and Photoelectric Catalytic Degradation of Methylene Blue
Authors: Shen Jia , Chen Donghui , Zhao Wei , Zhang Wen wen , Zhou Huipin
Published: April 2018

The porous Ti/TiO2/CdS‐CNT/C3N4 photoelectrode were successfully fabricated via anodic oxidation method, chemical electrodeposition and dip‐coating method, respectively. The morphology, crystal structure and elements of the photoelectrodes were characterized by scanning electron microscopy (SEM), X‐ray diffraction (XRD), energy‐dispersive spectroscopy (EDS) and X‐ray photoelectron spectroscopy (XPS) respectively. The cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), linear sweep voltammograms curves (LSV), mott‐schottky (MS) and chronoamperometric curves were applied to research the oxidation‐reduction quality, resistance, carriers concentration and photocurrent stability respectively. Addtionally, the service lifetime of electrodes were measured in accelerated life test. The photo‐ electrocatalytic (PEC) performance of the photoelectrodes were evaluated in the degradation experiment of methylene blue. Compared with the Ti/TiO2 and Ti/TiO2/CdS‐CNT electrode, the Ti/TiO2/CdS‐CNT/C3N4 electrode possesses smaller grain size on the surface, more uniform crystal morphology, lower resistance, bigger photocurrent density, oxygen evolution potential and photogenerated carriers concentration and performed higher PEC activity. Moreover, the generation of much holes, H2O2, and ⋅OH can promote the PEC degradation of organic pollutants. Particularly, C3N4 can further increase ⋅OH generation capacity.
In Situ Silication of Polymer Nanofibers to Engineer Multi‐Biofunctional Composites
Authors: Meka Sai Rama Krishna , Kumar Verma Shailendra , Agarwal Vipul , Chatterjee Kaushik
Published: April 2018

The critical role of silica in bone homeostasis has motivated the development of silica‐based biomaterials for orthopedic applications. Whereas polymer nanofibers have emerged as promising substrates for orthopedic applications, nanoparticle agglomeration precludes the preparation of silica containing composite nanofibers by electrospinning. This work presents a facile sol‐gel process to fabricate electrospun nanocomposite fibers by in situ silica gelation in poly (ϵ‐caprolactone) (PCL) solution. Citric acid is shown to be more effective than acetic acid as the pH catalyst for gelation by rapidly yielding near uniform nanoparticles (150+50 nm). The composite nanofibers exhibited increased water wettability than neat PCL with sustained release of silicon ions. The composite fibers induced early apatite formation in simulated body fluid. Quantitative characterization of the tubular networks formed by human umbilical cord vascular endothelial cells revealed that the eluted silicon ions and citric acid in fibers synergistically promoted angiogenic activity, which was corroborated by increased gene and protein expressions of several known angiogenic markers. Furthermore, silicate fibers augmented osteogenesis of human mesenchymal stem cells as measured by the increased mineral deposition and increased gene and protein expression of osteogenic markers. Thus, the in situ silicated fibers are promising multi‐biofunctional materials for orthopedic applications.
Magnesium Bonds: From Divalent Mg Centres to Trigonal and Tetrahedral Coordination
Authors: Grabowski Sławomir J.
Published: April 2018

ωB97XD/aug‐cc‐pVTZ calculations were performed for MgXY complexes (X=Cl, Br; Y=Cl, Br, CH3, C2H5, C6H5) with one or two H2O or (CH3)2O ligands to mimic interactions of Grignard reagents in solvents. The magnesium Lewis acid centre interacts in these complexes with the Lewis base O‐centre and the corresponding Mg…O link may be classified as the magnesium bond (Mg‐bond). This interaction is characterized by properties similar to those of the hydrogen bond; however it also possesses few unique features. The Mg‐centres of isolated MgXY species are characterized by ring regions of a positive electrostatic potential (EP) that determines their acidic properties. The linear geometry of the MgXY unit is disturbed in complexes with H2O or (CH3)2O species where the Mg‐centres are closer to trigonal and to tetrahedral configurations in complexes with one and two ligands, respectively; such centres also possess regions of positive EP.
High Catalytic Behavior of Activated Carbon‐Supported K‐Fe‐Ni Based Catalysts for 1,6‐Hexanedinitrile Hydrogenation under Mild Conditions
Authors: Lv Yang , Liu Pingle , Hao Fang , Xiong Wei , Luo He'an
Published: April 2018

Activated carbon supported potassium and iron doped nickel‐based catalysts were prepared and characterized by XRD, chemisorption of H2, H2‐TPR, XPS, N2 adsorption‐desorption analysis, NH3‐TPD, SEM, TEM, HRTEM and HAADF‐STEM. The catalytic behaviors were conducted on the hydrogenation of 1,6‐Hexanedinitrile to 6‐aminohexanenitrile and 1,6‐hexanediamine under 338 K‐358 K and 2 MPa hydrogen pressure. It can be deduced that the reducibility of the nickel oxide, the surface of the Ni0+ content and the dispersibility of nickel nanoparticles can be significantly enhanced by doping a certain amount of iron as the results of the synergetic effect between nickel and iron. Moreover, the introduction of potassium not only can effectively increase the alkaline site of the catalyst so as to inhibit the formation of by‐products, but also improve the dispersion of nickel nanoparticles by suppressing the sintering effect. However, the addition of excessive potassium is unfavorable to the nickel oxide reduction. It can be seen that activated carbon supported potassium and iron doped nickel‐based catalyst gives better catalytic performance of 91.32% conversion of 1,6‐Hexanedinitrile and 91.82% selectivity to 6‐aminohexanenitrile and 1,6‐hexanediamine under mild conditions of 348 K and 2 MPa.
One‐Pot Cascade Synthesis of 2‐Cyanoacrylamides via Sn‐Catalyzed Acetic Acid Free Selective Monohydration of Dinitrile
Authors: Shaikh Taufeekaslam M. Y. , Mulla Shafeek A. R.
Published: April 2018

The simple, mild, novel and an efficient new protocol has been developed for the straightforward synthesis of 2‐cyanoacrylamides. This is the first report in which Sn‐catalyzed acetic acid free selective monohydration of dinitrile was achieved for a one pot cascade synthesis of 2‐cyanoacrylamides in good to excellent yield via condensation of various aldehydes, heterocyclic aldehydes with malononitrile.
Silica‐Impregnated Polyphosphoric Acid Catalyzed an Eco‐Friendly Rapid Synthesis of Functionalized Tetrahydroquinolines and Quinazolin‐4‐ones in Water
Authors: Ansari Mohd. Imran , Hussain Mohd. Kamil , Hajela K.
Published: April 2018

A metal‐free, mild, eco‐friendly and efficient method has been developed for the synthesis of functionalized tetrahydroquinolines, quinazolin‐4(1H)‐ones and quinazolin‐4(3H)‐ones using metal‐free and economically viable heterogeneous catalyst PPA‐SiO2 in water preferentially forming cis‐isomer. Both electron withdrawing and electron donating groups were found to be well tolerated and isolated products were obtained in good yields. Cis‐isomer was predominant in case of electron donating substrate in water.
Methanol Oxidation Reaction Performance on Graphene‐Supported PtAg Alloy Nanocatalyst: Contrastive Study of Electronic and Geometric Effects Induced from Ag Doping
Authors: Zhang Rui , Xia Wenfang , Kang Wenjun , Li Rui , Qu Konggang , Zhang Yingtian , Chen Baoli , Wang Huaisheng , Sun Yongfu , Li Haibo
Published: April 2018

In Pt‐based alloy catalyst, the electrocatalytic performance is highly related to the Pt d‐band center, whose position can be modulated by the synergetic interaction of electronic and geometric effects. In this study, graphene‐supported PtAg (PtAg/graphene) alloy nanocatalyst was prepared by a facile galvanic replacement reaction. Due to the introduction of Ag component, the PtAg/graphene exhibits a higher specific/mass activity (1.48 mA cm–2, 580 mA mgPt–1) and better CO tolerance (CO stripping potential: 0.45 V vs. Ag/AgCl) than those of commercial Pt/C catalyst (0.86 mA cm–2, 270 mA mgPt–1, 0.50 V vs. Ag/AgCl) when being applied for catalyzing methanol oxidation reaction (MOR). On the basis of component and structure characterization, the PtAg alloy catalyst model was constructed, and first‐principles density function theory calculation was applied to study the relative influence of electronic and geometric effects on the Pt d‐band center and CO binding energy, respectively. It is found that the electronic effect, i. e. the charge transfer from Ag to Pt, is the decisive factor to enhance the electrocatalytic performance of PtAg alloy towards MOR.
KCC‐1 Supported Cu(II)‐β‐Cyclodextrin Complex as a Reusable Catalyst for the Synthesis of 3‐Aryl‐2‐oxazolidinones from Carbon Dioxide, Epoxide, Anilines
Authors: Sadeghzadeh Seyed Mohsen , Zhiani Rahele , Moradi Marjan
Published: April 2018

This study investigated the potential application of an efficient, easily recoverable, and reusable KCC‐1 nanoparticle catalyst, which supported Cu (II)‐β‐cyclodextrin complex for 3‐aryl‐2‐oxazolidinones synthesis from CO2, ethylene oxide, and anilines. KCC‐1/β‐CD/Cu (II) NPs were thoroughly characterized by using TEM, SEM, TGA, FT‐IR, ICP‐MS, and BET. The observations were exploited in the direct and selective chemical fixation of CO2 to afford high degrees of CO2 capture and conversion. Analysis of the recycled catalyst by ICP‐MS revealed only minor changes in its morphology after the reaction and thus confirmed the robustness of the catalyst.
Exploring Solvent Effects on the Dialysis‐Induced Self‐Assembly of Nanostructured Tetra(aniline)
Authors: Lyu Wei , Yu Mengting , Feng Jiangtao , Yan Wei
Published: April 2018

One‐pot simple dialysis process was employed to explore the self‐assembly behavior of Ph/NH2‐capped tetra(aniline) (TANI) in five different solely organic solvents. Multi‐morphologies of supramolecular were assembled including nanoparticles, nanocapsules, hierarchical nanoflowers and nanowires. The solvent effects on the self‐assembly behavior were studied by differential scanning calorimetry (DSC), thermogravimetric analyzer (TGA), FT‐IR and UV‐Vis spectroscopies, 1H NMR and powder X‐ray diffraction (PXRD), as well as density functional theory (DFT) calculations. Investigations suggested that the increase of solvent polarity facilitated the formation of hydrogen bonding between solute‐solvate. Moreover, dialysis process was found to have a profound effect on forming intermolecular π‐π stacking interaction. Such results provided not only an insight into the formation mechanism and design rule of self‐assembly behavior of nanostructured oligo(aniline)s in organic solvent‐containing complex system, but also further understanding of dialysis‐induced self‐assembly system for other nanomaterials.
Biodiesel Production from Recycled Grease Trap Waste: A Case Study in South Australia. Part 2: Optimization of The Transesterification Process
Authors: Tran Nghiep N. , McMurchie Edward J. , Ngothai Yung
Published: April 2018

This study aimed to investigate the conversion of the pre‐treated oil, which was originally extracted from grease trap waste (GTW), to biodiesel via a transesterification reaction. The pre‐treated oil, which consists of approximately 80% free fatty acid ethyl esters (FAEEs) and 18% of glycerides, was obtained through the esterification of GTW reported in a previous study. Response Surface Methodology (RSM) based on Central Composite Design (CCD) was applied to determine the optimum conditions for the transesterification reaction through four process variables, these being: the molar ratio of ethanol to oil, reaction time, reaction temperature, and base catalyst loading. A set of 30 experiments were conducted in duplicate to study the interactive effects of the above parameters on the ester yield. A maximum ester yield of 96.7% was obtained at the optimum conditions, which were: 4:1 ethanol to oil molar ratio, 1 hr reaction time, 65 °C reaction temperature, and 1 wt% KOH loading per oil weight. In order to reduce the excess ethanol used, a modification was applied to the experimental design of the transesterification reaction, resulting in a 30% reduction in ethanol used, while the same ester yield could be obtained.
Insight of Diversified Reactivity and Theoretical Study of Mixed‐Phase Titanium Dioxide for the Photoactivation of Small Molecules
Authors: Olowoyo Joshua O. , Hernández Norge Cruz , Kumar Manoj , Jain Suman L. , Babalola Jonathan O. , Kumar Umesh
Published: April 2018

The mixed‐phase titanium dioxide (TiO2) nanoparticles were prepared by two different methods; sonothermal (S) and sonothermal followed by hydrothermal (SH). The TiO2 prepared by SH has shown a superior hydrogen (H2) generation via photocatalytic splitting of water (H2O) and formic acid (FA) as well as photocatalytic reduction of carbon dioxide (CO2) to methanol (MeOH). The H2 production rate under UVA from H2O and FA was 0.02 and 3.91 mmol g−1 h−1 respectively while MeOH formation rate was 1.97 mmol g−1 h−1 from CO2. The DFT calculations of the reactants and products were also investigated.
Experimental Analysis on the Probability Density Distribution of Methane Hydrate Induction Times in Porous Media
Authors: Wang Shanrong , Yang Mingjun , Li Kehan
Published: April 2018

Hydrate‐based natural‐gas transport and storage have been proposed and developed because of the high safety and low cost, and hydrate reformation is a serious barrier for high‐efficiency natural‐gas hydrate exploitation. The hydrate formation induction time is a crucial kinetic parameter for both of the two fields. To clarify the hydrate formation and/or reformation induction characteristics, the effects of sub‐cooling, particle size, initial water saturation and memory effect on the stochastic induction time patterns are experimentally investigated. In total, 22 cases were performed, and each case was repeated in 20–30 runs under identical conditions. The experimental results show that the distribution of CH4 hydrate induction times can be properly fitted to a lognormal distribution function. Larger sub‐cooling leads to shorter induction time and more repeatable experimental results. It is also found that shorter induction time and repeatable results can be obtained with bigger particle size. The experimental results show that 70% water saturation can be considered a critical value for hydrate formation. Memory effect of water is existed in the experiments, which can help reducing the induction time and its stochastic nature. It can be considered that the memory effect on the induction time is dominant compared with the other factors (sub‐cooling, particle size and initial water saturation).
Environmentally Benign Deep Eutectic Solvent for Synthesis of 1,3‐Thiazolidin‐4‐ones
Authors: Yedage Dattatray B. , Patil Dattatray V.
Published: April 2018

This paper explores the versatility and effectiveness of Deep Eutectic Solvent (DES) as an efficient catalyst cum reaction media for the preparation of biologically important 1,3‐ thiazolidin‐4‐one derivatives. This methodology was objected to overcome the limitations of the previously reported methods such as the use of expensive and toxic solvents, long reaction time and low yield. This protocol is rapid, environmentally benign, with good to high yield of products. The DES media could be reused up to five times without any appreciable decrease in the yield.
Synthesis and Structure of Ru(II) Complexes of Thiosemicarbazone: Highly Selective Catalysts for Oxidative Scission of Olefins to Aldehydes
Authors: Muthumari Subramanian , Ramesh Rengan
Published: April 2018

New Ru(II)‐TSC complexes of the type [RuH(TSC)(CO)(PPh3)2] (where TSC= monobasic bidentate anthracenealdehyde thiosemicarbazone ligands) were synthesized and characterized by means of elemental analysis, IR, UV−vis, and NMR spectral methods. Molecular structures of the complexes were determined by single crystal X‐ray crystallography, which prove the coordination mode of the ligands and reveal the presence of a distorted octahedral geometry around the Ru ion. The synthesized complexes were developed as catalysts for selective oxidative cleavage of a wide range of alkenes as well as alkynes to the corresponding aldehydes/ diketones in acetonitrile/ water in the presence of NaIO4 at room temperature. The maximum yield was obtained up to 99% using 0.5 mol% of catalyst loading without any over oxidation byproducts. The effect of substituents of the ligand, solvents, reaction temperature and catalyst loading on the catalytic activity of the complexes is also investigated.
2,4‐Disubstituted Phenylhydrazonopyrazolone and Isoxazolone Derivatives as Antibacterial Agents: Synthesis, Preliminary Biological Evaluation and Docking Studies
Authors: Oraby Ahmed K. , Abdellatif Khaled R. A. , Abdelgawad Mohamed A. , Attia Khadiga M. , Dawe Louise N. , Georghiou Paris E.
Published: April 2018

A series of new 2,4‐ disubstituted phenylhydrazonopyrazolone and isoxazolones have been synthesized and evaluated for antibacterial activity. These compounds incorporated the bioactive moieties 3‐methyl isoxazolone and 3‐methyl pyrazolone. Based on the preliminary results, evaluation of these new compounds as potential antimicrobial agents revelead that four of them which incorporate the isoxazolone moiety exhibited selective antimicrobial activity against Gram‐positive bacteria with MICs for S. aureus in the 50–100 μgmL−1 range. Additionally, docking studies were performed in order to explore the possible binding poses in the MurB protein of S. aureus and the results were correlated to the antimicrobial results reported herein.
Copper Catalyzed Regioselective N – Alkynylation of Pyrazoles and Evaluation of the Anticancer Activity of Ethynyl‐ Pyrazoles
Authors: Sau Mohan Chandra , Rajesh Y. , Mandal Mahitosh , Bhattacharjee Manish
Published: April 2018

A copper‐catalyzed regioselective N‐alkynylation of unsymmetrically substituted pyrazoles from the reactions of pyrazoles with aromatic and aliphatic terminal alkynes under aerobic condition is reported here. The single crystal XRD structures of the N‐substituted pyrazoles confirm the regioselectivity. The cytotoxicity towards MDA‐MB 231 breast cancer cells of three of the alkynyl pyrazoles has been investigated.
Studies towards the Total Synthesis of Aspergillide‐B
Authors: Bhavani Kanugula , GyanChander Eppa , Das Saibal , Yadav Jhillu Singh
Published: April 2018

A formal, stereoselective synthesis of Aspergillide‐B is described. A highly diastereoselective Pd(0)‐B(OPh)3 mediated syn‐vic‐diol formation from epoxy unsaturated ester used for the creation of C3‐C4 centres. Iodine catalyzed allylation used for synthesis of trans‐2,6‐disubstitutedtetrahydro‐2H‐Pyran. Cross‐ metathesis, Yamaguchi macrolactonization are the other key features of the synthesis.
Methane Dissociation on Bimetallic AuNi3, Au2Ni2 and Au3Ni Clusters‐A DFT Study
Authors: Roy Ghanashyam , Chattopadhyay Asoke Prasun
Published: April 2018

The effect of gold atom for the dissociation of methane on tetrahedral bimetallic AuxNiy (x+y=4; x,y=1‐3) clusters are introduced using density functional theory method. The binding energy and HOMO‐LUMO gap fluctuate with odd‐even number of gold atoms. The clusters, AuNi3 and Au3Ni, containing odd number of doped gold atoms, which causes open shell configuration, are exceptionally stable and highly resistance to carbon deposition, whereas closed shell Au2Ni2 cluster is less stable. As the number of doped Au atom increases in the clusters, adsorption or binding energy of methane increases. The dissociation of methane is a four elementary steps process, and first step of dissociation, CH4→CH3, is not the rate determining step, and thermodynamically favorable at room temperature and pressure for the clusters due to adsorption. Whereas, the dissociation of CH→C, coke formation step 4, is the rate determining step due to highest energy barrier for all the clusters. The calculated activation energies for the rate determining step are 0.92 eV, 0.41 eV and 1.64 eV for AuNi3, Au2Ni2 and Au3Ni clusters, respectively. In addition, the dissociation temperature for all the intermediates, e. g., CH3, CH2 and CH are 450 K(CH3 and CH2) and 650 K(CH) on AuNi3 cluster; 450 K(CH3) and 550 K(CH2 and CH) on Au2Ni2 cluster; and 650 K(CH3), 750 K(CH2) and 950 K(CH) on Au3Ni cluster. Thus, the coke resistivity decreases as Au3Ni >AuNi3>Au2Ni2 and corresponding coke resistance temperatures are 950 K, 650 K and 550 K, respectively. The charge tranfer to the clusters during adsorption is negative, and is positive in the dissociation steps. Thus, the number of doped gold atom not only influences the stability of bimetallic Au−Ni clusters, but also their reactivity towards methane, which can provide some new insight for the design of coke resistant catalysts for methane reforming.