bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design of a novel optical sensor for determination of trace amounts of copper by UV–visible spectrophotometry in real samples
Authors: Pourbasheer Eslam , Morsali Somayeh , Azari Zhila , Karimi Mohammad Ali , Ganjali Mohammad Reza 
Published: November 2017

A new optical chemical sensor is established for sensitive and selective spectrophotometric detection of copper based on the immobilization of 3‐(2‐methyl‐2,3‐dihydro‐1,3‐benzothiezol‐2‐yl)‐2H‐chromen‐2‐one on a triacetylcellulose membrane. Copper ions react with the immobilized ligand and cause an increase in the absorption of the membrane at 550 nm in universal buffer solution at pH = 6. The effects of pH, indicator concentration and reaction time on the immobilization of the ligand were studied. This optode exhibits a linear range of 7.0 × 10−7 to 1 × 10−4 mol l−1 of copper ion concentration with a limit of detection of 3.0 × 10−7 mol l−1. The response time of the newly designed optode is within 3 min. The effect of different possible interfering species was investigated and it was found that the sensor has very good selectivity. The proposed sensor benefits from advantages such as low cost, high stability, low detection limit, fast response time, reproducibility, relatively long lifetime, and good selectivity for Cu2+ ion determination among a large number of alkali, alkaline earth, transition and heavy metal ions. The sensor can readily be regenerated with thiourea solution and its response is reversible and reproducible (relative standard deviation < 1.4%). The proposed optode was applied successfully for the determination of Cu(II) in various samples.
Axial base‐controlled catalytic activity, oxidative stability and product selectivity of water‐insoluble manganese and iron porphyrins for oxidation of styrenes in water under green conditions
Authors: Zakavi Saeed , Hashemi‐Amiri Akbar , Asadi Fatemeh 
Published: November 2017

A series of water‐insoluble iron(III) and manganese(III) porphyrins, FeT(2‐CH3)PPCl, FeT(4‐OCH3)PPCl, FeT(2‐Cl)PPCl, FeTPPCl, MnT(2‐CH3)PPOAc, MnT(4‐OCH3)PPOAc, MnT(2‐Cl)PPOAc and MnTPPOAc, in the presence of imidazole (ImH), F−, Cl−, Br− and acetate were used as catalysts for the aqueous‐phase heterogeneous oxidation of styrenes to the corresponding epoxides and aldehydes with sodium periodate. Also, the effect of various reaction parameters such as reaction time, molar ratio of catalyst to axial base, type of axial base, molar ratio of olefin to oxidant and nature of metal centre on the activity and oxidative stability of the catalysts and the product selectivity was investigated. Higher catalytic activities were found for the iron complexes. Interestingly, the selectivity towards the formation of epoxide and aldehyde (or acetophenone) was significantly influenced by the type of axial base. Furthermore, Br− and ImH were found to be the most efficient co‐catalysts for the oxidation of olefins performed in the presence of the manganese and iron porphyrins, respectively. The optimized molar ratio of catalyst to axial base was different for various axial bases. Also, the order of co‐catalyst activity of the axial bases obtained in aqueous medium was different from that reported for organic solvents. The use of a convenient axial base under optimum reaction catalyst to co‐catalyst molar ratio in the presence of the manganese porphyrin gave the oxidative products with a conversion of ca 100% in a reaction time of less than 3 h. However, the catalytic activity of the iron porphyrins could not be effectively improved by increasing the catalyst to co‐catalyst molar ratio.
Green synthesis and characterization of silver nanoparticles by Allium cepa L. to produce silver nano‐coated fabric and their antimicrobial evaluation
Authors: Sharma Prashansa , Pant Suman , Rai Shambhavi , Yadav Renu Bala , Sharma Swapnil , Dave Vivek 
Published: November 2017

This research work was proposed to study the antimicrobial activity of the silver nanocoated fabric with the purpose of producing good dressing and clothing material. We synthesized simple, ecofriendly, cost‐effective and sustainable silver nanoparticles by using the aqueous extract of Allium cepa L. Here, A. cepa L. acts as a good reducing and capping agent that produced stable silver nanoparticles having particle size of range 36 ± 1 to 98 ± 2 nm, Poly dispersiblity index 0.234 ± 0.61 to 1.023 ± 0.33 and Zeta potential ‐12 ± 1.5 mV to ‐26 ± 1.2 mV. The effect of temperature and extract volume used was considered for optimization of synthetic procedure. The nanocoated fabric was characterized for morphological study, size (using transmission electron microscopy (TEM) and field emission scanning electron microscopy (FE‐SEM) and zeta‐potential (Zeta Potentiometer). The presence of functional groups were observed by using attenuated total reflection‐Fourier transform infrared (ATR‐FTIR) and Raman spectroscopy. The crystallinity and structural property of the synthesized silver nanoparticles were studied in terms of Powder X‐ray diffraction (PXRD). An IC50 value and zone of inhibition was studied which demonstrate that the silver nanocoated fabric have an excellent antibacterial property against Gram‐negative (Escherichia coli) and Gram‐positive (Staphylococcus aureus) bacteria. Further nanocoated fabric material was washed (with function of time 0, 10, 25, and 50 laundry cycles) and still retained their anti‐bacterial activity towards both strain. Initially there was 52 μg/ml of silver nanoparticles on the cotton fabric but after 50 laundry cycle in 500 ml of distilled water the fabric showed 92% efficiency against gram positive and 90% efficacy toward gram negative bacteria. It was found that 4.16 μg/ml nano particles leached in case of S. Aureus and 5.2 μg/mL silver nanoparticles leached in case of E. coli. Nanocoated fabric material synthesized using green synthesis was found to be economical with good resistance to washing.
A new approach for the optimization of nonsharp distillation superstructures
Authors: Pirhoushyaran T. , Shafiei S. 
Published: November 2017

AbstractIn general, the optimization problem of the separation of a multicomponent feed stream into two or more multicomponent products with the use of nonsharp distillation columns is an MINLP with a nonlinear objective function. Due to the high number of variables and the high degree of nonlinearity, the presentation of a comprehensive and simple three‐phase approach was considered to solve the Mixed Integer Nonlinear Programming (MINLP) using the combination of mathematical and stochastic methods. In the method, the variables are classified into two groups: A set of variables are optimized by genetic algorithm as a stochastic algorithm; doing so converts MINLP to Linear Programming (LP), and the remaining variables are managed by solving an LP problem for known values of the former set by a regular and quick mathematical method such as simplex search. One advantage of this study is that it extracts some essential relationships between the first set of variables by the mathematical operations on the nonlinear constraints of the main problem as these variables are not optimized altogether; instead, some of them are optimized and the rest are obtained with the assistance of those relationships. Thus, the optimization workload (in both parts of GA and LP problem) is very low and the best structure can be obtained in a very short time (less than 2 min). Also, the study applies the lowest reduction on the main superstructure than previous works and therefore, the generalization of the problem is further preserved. Three published examples are used to verify the proposed method.
Experimental studies on coal water slurries prepared from coal gasification wastewater
Authors: Li Dedi , Liu Jianzhong , Wang Jinqian , Bai Qingcheng , Cheng Jun , Cen Kefa 
Published: November 2017

AbstractCoal gasification wastewater (CGW) contains high concentrations of pollutants and varying chemical components and thus is difficult to treat. CGW slurry (CGWS), which is prepared by blending coal, CGW, and additives, is a new wastewater utilization technology that can be used to efficiently and conveniently treat CGW. This work mainly investigated the slurryability, rheology, stability, and combustion properties of CGWS prepared from Shenhua and Yima coals. Results showed that (a) the maximum solid loading of CGWS was slightly lower than that of ordinary coal–water slurry (CWS), but CGWS exhibited better pseudoplastic rheology and stability than CWS; moreover, increasing the solid loading of CGWS resulted in an increasingly pseudoplastic trend and enhanced stability; (b) CGW strengthened the combustion capacity of coke and CGWS demonstrating better ignition, burning, and burnout properties than CWS. These findings suggest that the use of CGWS technology in CGW treatment is beneficial economically and environmentally.
Pre‐Zika descriptive epidemiology of microcephaly in Texas, 2008–2012
Authors: Hoyt Adrienne T. , Canfield Mark A. , Langlois Peter H. , Waller Dorothy K. , Agopian A. J. , Shumate Charles J. , Hall Noemi B. , Marengo Lisa K. , Ethen Mary K. , Scheuerle Angela E. 
Published: November 2017

AbstractBackgroundThere are limited population‐based studies on microcephaly. We characterized the epidemiology of microcephaly in Texas during a 5‐year period (2008–2012), prior to the Zika epidemic in the Western hemisphere (2015). The associations of suspected risk factors were compared across four clearly defined case groups.MethodsData from the Texas Birth Defects Registry were used to calculate the prevalence of congenital microcephaly and crude and adjusted prevalence ratios using Poisson regression. Twelve maternal and infant factors were assessed across case groups, which included total (explained + unexplained), explained (e.g., syndromic), unexplained, and severe unexplained microcephaly (head circumference <3rd percentile).ResultsThe birth prevalence for total and total severe microcephaly were 14.7 and 4.8 per 10,000 livebirths, respectively. For explained and unexplained cases, significantly elevated risks were noted for mothers who were older (35+), less educated (≤12 years), diabetic (pre‐pregnancy or gestational), or had a preterm delivery. Unlike explained cases, however, mothers who were non‐White or smoked had an increased risk for unexplained microcephaly. Furthermore, young maternal age (<20), multiparity, and higher BMI reduced the risk for unexplained microcephaly. For severe unexplained cases, the risk profile was similar to that for all unexplained cases—with the exception of null associations noted for diabetes and birth year.ConclusionsWe found that risk patterns for microcephaly varied across case groupings. Risk factors included maternal race/ethnicity, age, and smoking during pregnancy. Among severe unexplained cases, notable positive associations were seen among mothers who were non‐Hispanic Black or less educated, while inverse associations were noted for obesity.
The JUPITER registry: One‐year outcomes of transapical aortic valve implantation using a second generation transcatheter heart valve for aortic regurgitation
Authors: Silaschi Miriam , Conradi Lenard , Wendler Olaf , Schlingloff Friederike , Kappert Utz , Rastan Ardawan J , Baumbach Hardy , Holzhey David , Eichinger Walter , Bader Ralf , Treede Hendrik 
Published: November 2017

AbstractObjectivesWe present 1‐year outcomes of the post‐market registry of a next‐generation transcatheter heart valve used for aortic regurgitation (AR).BackgroundTranscatheter aortic valve replacement (TAVR) is routine in high‐risk patients with aortic stenosis but is not recommended for AR. The JenaValve™ (JenaValve Technology GmbH, Munich, Germany) overcomes technical challenges in AR patients through a leaflet clipping mechanism.MethodsThe JenaValve EvalUation of Long Term Performance and Safety In PaTients with SEvere Aortic Stenosis oR Aortic Insufficiency (JUPITER) Registry is a European study to evaluate safety and effectiveness of this THV. From 2012‐2015, 30 patients with AR were enrolled.ResultsMean age was 74.4 ± 9.3 years. Procedural success was 96.7% (29/30). One patient was converted to open surgery. No annular rupture or coronary ostia obstruction occurred. Mortality at 30 days was 10.0% (3/30). Combined safety endpoint was met in 13.3% (4/30). Paravalvular regurgitation was not present/trivial in 84.6% (22/26) and mild in 15.4% (4/26). Rate of permanent pacemaker implantation was 3.8% (1/26). One‐year Kaplan‐Meier survival was 79.9%, one‐year combined efficacy was 73.1% (19/30). No further strokes were observed during 1 year of follow‐up.ConclusionsThe JenaValve overcomes technical challenges of TAVR in AR through a clipping mechanism. We report satisfactory outcomes of a multicenter registry using the JenaValve for predominant AR, as rate of THV embolization, residual AR and permanent pacemaker implantation was low. One‐year results using the JenaValve for AR encourage its use for this indication.
Comparison of left atrial pressure monitoring with dedicated catheter versus steerable guiding catheter during transcatheter mitral valve repair
Authors: Eleid Mackram F. , Reeder Guy S. , Rihal Charanjit S. 
Published: November 2017

AbstractObjectiveThe objective of this study was to determine the accuracy of left atrial pressure (LAP) measurement through the manufacturer provided steerable guiding catheter (SGC) during transcatheter mitral valve repair (TMVR).BackgroundLAP measurement during TMVR has been shown to be associated with clinical improvement when measured through a dedicated catheter.MethodsSimultaneous LAP was performed in consecutive patients using an independent fluid‐filled 4F multipurpose catheter and compared to LAP waveforms measured through the manufacturer‐provided MitraClip SGC during TMVR (Abbott, Santa Clara, CA).ResultsMean age of 10 consecutive subjects with primary mitral regurgitation undergoing TMVR was 83 ± 3 years (60% female). Left atrial v wave and mean pressures through the dedicated catheter were 42 ± 7 and 24 ± 3 mmHg vs. 35 ± 7 and 23 ± 3 mmHg through the SGC (P < 0.001 and P = 0.23, respectively). Mean differences in v wave and mean LAP were 8 ± 4 and 1.0 ± 2.4 mmHg (percent difference 19 and 3%), respectively. SGC waveform overdamping was observed in all cases.ConclusionsLeft atrial v wave pressure measurement through a dedicated catheter with sideholes during TMVR has superior accuracy compared to the manufacturer provided SGC, which results in waveform overdamping and a significant underestimation of v wave pressure. These data have important implications for clinical practice.
Fulminant hemolysis in glucose‐6‐phosphate dehydrogenase deficiency
Authors: Moiz Bushra , Ali Sidra Asad 
Published: November 2017

Key Clinical MessageGlucose‐6‐phosphate dehydrogenase (G6PD) deficiency is an X‐linked disorder affecting some 400 million people worldwide. Though clinically silent, it may result in hemolysis on oxidative stress induced by drugs or infections. Viral hepatitis A with coexisting G6PD deficiency can be devastating associated with severe hemolysis, anemia, renal failure, and hepatic encephalopathy.
Power Generation from Coke Oven Gas Using Chemical Looping Combustion: Thermodynamic Simulation
Authors: Luo Ming , Wang Chao , Yi Yang , Liu Ke , Cai Jianjun , Wang Qian 
Published: November 2017

AbstractA chemical looping combustion (CLC) combined cycle with coke oven gas as fuel and NiO/NiAl2O4 as an oxygen carrier is proposed. The system was simulated by Aspen Plus® and the oxygen carrier circulation ratio was calculated. The effects of key operational temperatures and different gas turbines on the system performance were investigated. Under optimized conditions, a high CO2 capture efficiency could be achieved. To capture CO2 thoroughly, the PG6561B gas turbine can be employed, allowing for nearly 100 % CO2 capture efficiency.
Aromatic Compounds from Lignin Liquefaction over ZSM‐5 Catalysts in Supercritical Ethanol
Authors: Fan Di , Xie Xinan , Li Yan , Li Lu , Sun Jiao 
Published: November 2017

AbstractA systematic research about the liquefaction of alkali lignin in supercritical ethanol using ZSM‐5 zeolite catalysts is reported, which includes the synergistic effect of temperature, catalytic content, and reaction time on product yield and distribution. Fourier transform infrared and gas chromatography‐mass spectrometry analysis were carried out to evaluate the compositions of bio‐oil and solid residue. Under moderate condition, maximum conversion and yield of bio‐oil were satisfactorily high. With the help of ZSM‐5 catalyst, lignin could be successfully converted into aromatic compounds.
The Mutation in the Single‐Crystal Structural Transformation Process, Induced by the Combined Stimuli of Temperature and Solvent
Authors: Zhang Chuanlei , Li Yanle , Xu Heng , Ma Jing , Zheng Hegen 
Published: November 2017

AbstractA 2D coordination polymer containing a free ligand (Lf), fixed by hydrogen bonds, transformed into a 3D metal–organic framework (MOF) in a single‐crystal to single‐crystal fashion. This transformation occurs through the combined stimuli of temperature and solvent. From 50 to 90 °C, a series of changes take place in a gradual form: the Lf is slowly moved to the cobalt center, which is accompanied by a contraction of unit cell and hydrogen bond. When the temperature rises to 95 °C, the hydrogen bond is destroyed, and Lf is suddenly combined with the cobalt ion to form an intricate 3D structure. This mutation process is irreversible and cannot occur just with the stimulus of either temperature or solvent. Notably, even under the combined stimuli, this mutation phenomena is difficult to reproduce when the solvent species and proportions change. DFT calculations were used to try to explain the nature of the phenomenon.
8‐Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase
Authors: Dennis Matthew L. , Lee Michael D. , Harjani Jitendra R. , Ahmed Mohamed , DeBono Aaron J. , Pitcher Noel P. , Wang Zhong‐Chang , Chhabra Sandeep , Barlow Nicholas , Rahmani Raphaël , Cleary Ben , Dolezal Olan , Hattarki Meghan , Aurelio Luigi , Shonberg Jeremy , Graham Bim , Peat Thomas S. , Baell Jonathan B. , Swarbrick James D. 
Published: November 2017

AbstractDihydropteroate synthase (DHPS) is an enzyme of the folate biosynthesis pathway, which catalyzes the formation of 7,8‐dihydropteroate (DHPt) from 6‐hydroxymethyl‐7,8‐dihydropterin pyrophosphate (DHPPP) and para‐aminobenzoic acid (pABA). DHPS is the long‐standing target of the sulfonamide class of antibiotics that compete with pABA. In the wake of sulfa drug resistance, targeting the structurally rigid (and more conserved) pterin site has been proposed as an alternate strategy to inhibit DHPS in wild‐type and sulfa drug resistant strains. Following the work on developing pterin‐site inhibitors of the adjacent enzyme 6‐hydroxymethyl‐7,8‐dihydropterin pyrophosphokinase (HPPK), we now present derivatives of 8‐mercaptoguanine, a fragment that binds weakly within both enzymes, and quantify sub‐μm binding using surface plasmon resonance (SPR) to Escherichia coli DHPS (EcDHPS). Eleven ligand‐bound EcDHPS crystal structures delineate the structure–activity relationship observed providing a structural framework for the rational development of novel, substrate‐envelope‐compliant DHPS inhibitors.
Structure–Activity Relationships for Pt‐Free Metal Phosphide Hydrogen Evolution Electrocatalysts
Authors: Owens‐Baird Bryan , Kolen'ko Yury V. , Kovnir Kirill 
Published: November 2017

AbstractIn the field of renewable energy, the splitting of water into hydrogen and oxygen fuel gases using water electrolysis is a prominent topic. Traditionally, these catalytic processes have been performed by platinum‐group metal catalysts, which are effective at promoting water electrolysis but expensive and rare. The search for an inexpensive and Earth‐abundant catalyst has led to the development of 3d‐transition‐metal phosphides for the hydrogen evolution reaction. These catalysts have shown excellent activity and stability. In this review, we discuss the electronic and crystal structures of bulk and surface of selected Fe, Co, and Ni phosphides, and their relationships to the experimental catalytic activity. The various synthetic protocols towards the state‐of‐the‐art transition metal phosphide electrocatalysts are also discussed.
Computational predictions of damage propagation preceding dissection of ascending thoracic aortic aneurysms
Authors: Mousavi S. Jamaleddin , Farzaneh Solmaz , Avril Stéphane 
Published: November 2017

AbstractDissections of ascending thoracic aortic aneurysms (ATAAs) cause significant morbidity and mortality worldwide. They occur when a tear in the intima‐media of the aorta permits the penetration of the blood and the subsequent delamination and separation of the wall in 2 layers, forming a false channel. To predict computationally the risk of tear formation, stress analyses should be performed layer‐specifically and they should consider internal or residual stresses that exist in the tissue. In the present paper, we propose a novel layer‐specific damage model based on the constrained mixture theory, which intrinsically takes into account these internal stresses and can predict appropriately the tear formation. The model is implemented in finite‐element commercial software Abaqus coupled with user material subroutine. Its capability is tested by applying it to the simulation of different exemplary situations, going from in vitro bulge inflation experiments on aortic samples to in vivo overpressurizing of patient‐specific ATAAs. The simulations reveal that damage correctly starts from the intimal layer (luminal side) and propagates across the media as a tear but never hits the adventitia. This scenario is typically the first stage of development of an acute dissection, which is predicted for pressures of about 2.5 times the diastolic pressure by the model after calibrating the parameters against experimental data performed on collected ATAA samples. Further validations on a larger cohort of patients should hopefully confirm the potential of the model in predicting patient‐specific damage evolution and possible risk of dissection during aneurysm growth for clinical applications.
Complementary Strategies Toward the Aqueous Processing of High‐Voltage LiNi0.5Mn1.5O4 Lithium‐Ion Cathodes
Authors: Kuenzel Matthias , Bresser Dominic , Diemant Thomas , Carvalho Diogo Vieira , Kim Guk‐Tae , Behm R. Jürgen , Passerini Stefano 
Published: November 2017

AbstractIncreasing the environmental benignity of lithium‐ion batteries is one of the greatest challenges for their large‐scale deployment. Toward this end, we present herein a strategy to enable the aqueous processing of high‐voltage LiNi0.5Mn1.5O4 (LNMO) cathodes, which are considered highly, if not the most, promising for the realization of cobalt‐free next‐generation lithium‐ion cathodes. Combining the addition of phosphoric acid with the cross‐linking of sodium carboxymethyl cellulose by means of citric acid, aqueously processed electrodes with excellent performance are produced. The combined approach offers synergistic benefits, resulting in stable cycling performance and excellent coulombic efficiency (98.96 %) in lithium‐metal cells. Remarkably, this approach can be easily incorporated into standard electrode preparation processes with no additional processing step.