bluuebunny/crossref_metadata_2025 huggingface dataset:
Rationale and design of the randomized multicentre His Optimized Pacing Evaluated for Heart Failure (HOPE‐HF) trial
Authors: Keene Daniel , Arnold Ahran , Shun‐Shin Matthew J. , Howard James P. , Sohaib SM Afzal , Moore Philip , Tanner Mark , Quereshi Norman , Muthumala Amal , Chandresekeran Badrinathan , Foley Paul , Leyva Francisco , Adhya Shaumik , Falaschetti Emanuela , Tsang Hilda , Vijayaraman Pugal , Cleland John G.F. , Stegemann Berthold , Francis Darrel P. , Whinnett Zachary I.
Published: July 2018

Aims

In patients with heart failure and a pathologically prolonged PR interval, left ventricular (LV) filling can be improved by shortening atrioventricular delay using His‐bundle pacing. His‐bundle pacing delivers physiological ventricular activation and has been shown to improve acute haemodynamic function in this group of patients.

In the HOPE‐HF (His Optimized Pacing Evaluated for Heart Failure) trial, we are investigating whether these acute haemodynamic improvements translate into improvements in exercise capacity and heart failure symptoms.

Methods and results

This multicentre, double‐blind, randomized, crossover study aims to randomize 160 patients with PR prolongation (≥200 ms), LV impairment (EF ≤ 40%), and either narrow QRS (≤140 ms) or right bundle branch block. All patients receive a cardiac device with leads positioned in the right atrium and the His bundle. Eligible patients also receive a defibrillator lead. Those not eligible for implantable cardioverter defibrillator have a backup pacing lead positioned in an LV branch of the coronary sinus. Patients are allocated in random order to 6 months of (i) haemodynamically optimized dual chamber His‐bundle pacing and (ii) backup pacing only, using the non‐His ventricular lead.

The primary endpoint is change in exercise capacity assessed by peak oxygen uptake. Secondary endpoints include change in ejection fraction, quality of life scores, B‐type natriuretic peptide, daily patient activity levels, and safety and feasibility assessments of His‐bundle pacing.

Conclusions

Hope‐HF aims to determine whether correcting PR prolongation in patients with heart failure and narrow QRS or right bundle branch block using haemodynamically optimized dual chamber His‐bundle pacing improves exercise capacity and symptoms. We aim to complete recruitment by the end of 2018 and report in 2020.
Synthesis and Characterization of Gold Silyl Compounds with Different Phosphine or Phosphite Groups for Reduction Reactions
Authors: Kenzler Sebastian , Kotsch Matthias , Schnepf Andreas
Published: July 2018

The synthesis and structural characterization of metalloid gold clusters stabilized by sulfur ligands has increased massively in the last decade. The metalloid gold clusters are synthesized via a reduction of a gold precursor and most metalloid gold clusters are stabilized via aryl thiolate ligands. It is also possible to use thiosilyl or phosphine groups as stabilizing ligands. Here, we present a small Au6 cluster as a possible intermediate of the formation of large metalloid clusters, together with the synthesis of a variety of defined AuI precursors that contain a phosphine or a phosphite group as well as a thiosilyl ligand, which can be further used for the synthesis of metalloid gold clusters.
“Zero VOC” Synthetic Strategy – Aromatic Amination Reactions in Deep Eutectic Solvents
Authors: Valvi Arun , Tiwari Shraeddha
Published: July 2018

Rising concern for environment hazards resulting from the use of volatile organic compounds (VOCs) is prompting many chemists to use “green” solvents like water, polyethylene glycol, ionic liquids and deep eutectic solvents (DES). With a few notable exceptions, many of these processes still need to use volatile organic solvents for the workup and isolation of products. In the present report, we demonstrate a “zero VOC” protocol which eliminates the need to use organic solvents for any stage of the reaction. As a proof of concept, nucleophilic aromatic substitution reactions of 1‐halo‐2,4‐dinitrobenzene with secondary amines were carried out in deep eutectic solvents. The reaction workup involved the addition of water for separating the product from the DES. Evaporation of water led to recovery of the DES, which exhibited good recyclability. The reaction in deep eutectic solvents was much faster than that in many other solvents, as confirmed by the kinetic studies. An attempt was made to elucidate the origin of this rate enhancement based on analysis activation parameters and correlation with the polarity parameters. The results show that use of deep eutectic solvents can take chemists a step closer towards the “zero VOC” synthetic strategy.
Efficacy, acceptability and safety of Internet‐delivered psychological therapies for fibromyalgia syndrome: A systematic review and meta‐analysis of randomized controlled trials
Authors: Bernardy K. , Klose P. , Welsch P. , Häuser W.
Published: July 2018

This systematic review aimed at evaluating the efficacy, acceptability and safety of Internet‐based psychological therapies (IPTs) in fibromyalgia syndrome (FMS). Clinicaltrials.gov, Cochrane Library, MEDLINE, PsycINFO and SCOPUS were searched from inception to January 2018. Randomized controlled trials (RCTs) comparing IPTs with controls were analysed. Primary outcomes were ≥50% pain relief, disability, negative mood, acceptability and safety at end of therapy and at 6‐month follow up. Effects were summarized by a random effects model using risk differences (RD) or standardized mean differences (SMD) with 95% confidence intervals (CI). Six RCTs using different types of Internet‐based cognitive‐behavioural therapies [ICBTs] (acceptance‐based; exposure‐based; traditional) with 493 patients were included. At the end of treatment, ICBTs were superior to controls (waiting list, attention control, treatment as usual) in reducing negative mood (SMD −0.51 [95% CI −0.87 to −0.15]) (moderate quality evidence) and disability (SMD −0.56 [95% CI −1.00 to −0.13]) (moderate quality evidence). There were no statistically significant differences between ICBTs and controls in pain relief of 50% or greater (RD 0.09 [95% CI −0.02 to 0.20] (moderate quality evidence) and acceptability (moderate quality evidence). No data on safety and any outcomes at long‐term follow‐up compared to controls were found. The data available did not allow statistical comparisons between unguided and guided ICBTs and of ICBTs versus traditional face‐to‐face therapies. ICBTs provided a clinically relevant benefit over control interventions in reducing negative mood and disability at the end of treatment.

Significance

Internet‐delivered cognitive behavioural therapies provided a clinically relevant benefit in reducing negative mood and disability in patients with FMS at the end of treatment if compared to waiting list, treatment as usual and attention controls.
Predefine resolution of enantiomers in partial filling capillary electrophoresis and two discontinuous function plugs coupling in‐capillary
Authors: Chen Jin , Wang Xiaoqian , Ghulam Murtaza , Chen Hongxu , Qu Feng
Published: July 2018

In common partial filling CE (PF‐CE), the capillary contains the selectors plug between the injection and detector end to avoid the selector going into the detector zone. To expand this method, we propose a mode of two discontinuous function plugs coupling in‐capillary, named as plug–plug PF‐CE (ppPF‐CE). Initially, we present the method to predefine the effective length of chiral selector to meet the requirement of enantiomers' resolution, which could avoid some experimental procedures. With α‐CD as a chiral selector, a satisfactory resolution of enantiomers d,l‐tryptophan and d,l‐tyrosine was obtained with a partial filling α‐CD plug of optimal length and concentration. Subsequently, a second plug containing hydroxypropyl methylcellulose, organic solvents (acetonitrile and methanol), anionic and cationic surfactants (SDS and CTAB), and different concentrations of sodium phosphate buffer was inserted after the selector plug. Effects of plug–plug filling on enantiomers' migration and resolution are discussed. The ppPF‐CE might be a new flexible mode for CE application.
Delayed effects and complex life cycles: How the larval aquatic environment influences terrestrial performance and survival
Authors: Rumrill Caitlin T. , Scott David E. , Lance Stacey L.
Published: July 2018

Species with complex life cycles are susceptible to environmental stressors across life stages, but the carryover and latent effects between stages remain understudied. For species with biphasic life histories, such as pond-breeding amphibians, delayed effects of aquatic conditions can influence terrestrial juveniles and adults directly or indirectly, usually mediated through fitness correlates such as body size. We collected adult southern toads (Anaxyrus terrestris) from 2 source populations—a natural reference wetland and a metal-contaminated industrial wetland—and exposed their offspring to 2 aquatic stressors (a metal contaminant, copper [Cu], and a dragonfly predator cue) in outdoor mesocosms (n = 24). We then reared metamorphs in terraria for 5 mo to examine delayed effects of early life stage environmental conditions on juvenile performance, growth, and survival. Larval exposure to Cu, as well as having parents from a contaminated wetland, resulted in smaller size at metamorphosis—a response later negated by compensatory growth. Although Cu exposure and parental source did not affect larval survival, we observed latent effects of these stressors on juvenile survival, with elevated Cu conditions and metal-contaminated parents reducing postmetamorphic survival. Parental source and larval Cu exposure affected performance at metamorphosis through carryover effects on body size but, 1 mo later, latent effects of parental source and larval predator exposure directly (i.e., not via body size) influenced performance. The carryover and latent effects of parental source population and aquatic Cu level on postmetamorphic survival and juvenile performance highlight the importance of conducting studies across life stages and generations. Environ Toxicol Chem 2018;37:2660–2669. © 2018 SETAC
Determination of subcatchment and watershed boundaries in a complex and highly urbanized landscape
Authors: Kayembe Aimé , Mitchell Carl P. J.
Published: July 2018

Urban development significantly alters the landscape by introducing widespread impervious surfaces, which quickly convey surface run‐off to streams via stormwater sewer networks, resulting in “flashy” hydrological responses. Here, we present the inadequacies of using raster‐based digital elevation models and flow‐direction algorithms to delineate large and highly urbanized watersheds and propose an alternative approach that accounts for the influence of anthropogenically modified land cover. We use a semi‐automated approach that incorporates conventional drainage networks into overland flow paths and define the maximal run‐off contributing area. In this approach, stormwater pipes are clustered according to their slope attributes, which define flow direction. Land areas drained by each cluster and contributing (or exporting) flow to a topographically delineated catchment were determined. These land masses were subsequently added or removed from the catchment, modifying both the shape and the size. Our results in a highly urbanized Toronto, Canada, area watershed indicate a moderate net increase in the directly connected watershed area by 3% relative to a topographically forced method; however, differences across three smaller scale subcatchments are greater. Compared to topographic delineation, the directly connected watershed areas of both the upper and middle subcatchments decrease by 5% and 8%, respectively, whereas the lower subcatchment area increases by 15%. This is directly related to subsurface storm sewer pipes that cross topographic boundaries. When directly connected subcatchment area is plotted against total streamflow and flashiness indices using this method, the coefficients of variation are greater (0.93 to 0.97) compared to the use of digital elevation model‐derived subcatchment areas (0.78 to 0.85). The accurate identification of watershed and subcatchment boundaries should incorporate ancillary data such as stormwater sewer networks and retention basin drainage areas to reduce water budget errors in urban systems.
Cellulose emulsions and their hydrolysis
Authors: Alfassi Gilad , Rein Dmitry M , Cohen Yachin
Published: July 2018

BACKGROUND

The abundance and bio‐renewability of cellulose renders it as a sustainable source for bio‐fuels, yet its potential is not fully exploited. There is current interest in combined enzymatic processes in emulsified systems. Previous work described the formation of a stable non‐crystalline cellulose coating on emulsified oil droplets. This raises significant questions regarding enzyme–substrate interactions in such systems. The aim of this work is to evaluate the ability of the enzyme to attack the cellulose shell on the surface of an oil droplet. This ability is foreseen to be relevant for advanced cellulose conversion processes, such as in the simultaneous extraction of reaction products and/or esterification.

RESULTS

Cellulose amphiphilicity was harnessed to fabricate oil‐in‐water emulsions using aqueous hydrogel dispersion fabricated from conventional alkaline solution. The cellulose shell on the surface of the oil droplets presents a huge non‐crystalline surface. Altering the cellulose/oil ratio effects the emulsion dimensions and the rate of enzymatic hydrolysis, where the conversion of emulsions having lower oil content proved similar to that of regenerated cellulose gels (81 and 77% hydrolyzed cellulose after 4 h, respectively).

CONCLUSION

Cellulose‐coated oil‐in‐water emulsion droplets are introduced as a novel substrate for cellulose hydrolysis for advanced conversion processes. © 2018 Society of Chemical Industry
A prospective “test‐and‐treat” demonstration project among people who inject drugs in Vietnam
Authors: Nguyen Hai H , Bui Duong D , Dinh Thuy TT , Pham Loc Q , Nguyen Van TT , Tran Tram H , Pham Thang H , Nguyen Sang M , Suthar Amitabh B , Do Nhan T , Ford Nathan , Lo Ying‐Ru , Nguyen Long Hoang , Giang Le M , Kato Masaya ,   the team for the implementation research project “Vietnam HIV early antiretroviral therapy with regular HIV testing (V‐HEART)”
Published: July 2018

Introduction

Modelling suggests that early diagnosis and immediate antiretroviral therapy (ART) among key populations would have a substantial impact in reducing HIV transmission and mortality in Vietnam. An implementation research project of “test‐and‐treat” among people who inject drugs (PWID) was developed to inform effective roll‐out of such interventions.

Methods

“Test‐and‐treat” was offered to PWID in two high burden provinces, Thai Nguyen and Thanh Hoa. The interventions comprised the offer of biannual HIV testing and immediate ART, irrespective of CD4 count. PWID were enrolled between April 2014 and July 2015 and followed up for 12 months, and retention, HIV viral load (VL) and risk behaviours were assessed. Retention in care of this prospective cohort was compared with the retention among men enrolled in care in the preceding period (April 2012 to March 2013) at the same clinics when ART was initiated at CD4 cell count ≤350 cells/mm3.

Results

In total, 287 HIV positive PWID started immediate ART. The majority (98%) were men; median age was 34; and median (interquartile range) CD4 count was 199 (50 to 402) cells/mm3. After 12 months, 238 participants (83%) were retained on ART, and 205 achieved viral suppression (<1000 copies/mL) (92% among those in whom VL was measured, 71% overall). Baseline CD4 count ≤100 cells/mm3 and history of imprisonment were associated with lower retention and viral suppression, while engagement in methadone maintenance was associated with higher retention. Retention in care was higher in the “test‐and‐treat” cohort (83%) compared with men enrolled in care in the preceding period (78%), primarily because lost‐to‐follow‐up during pre‐ART care was eliminated. No decline in consistent condom use and clean needle use was observed.

Conclusions

Early ART initiation resulted in successful treatment outcomes among PWID, with no observed increase in self‐reported risk behaviours, suggesting feasibility and potential effectiveness of “test‐and‐treat” approach. The results also call for differentiated care for PWID, including promoting early diagnosis and engagement in methadone maintenance therapy while enhancing care for those with advanced HIV disease and history of imprisonment.
Medication use to manage comorbidities for people with dementia: a systematic review
Authors: Page Amy , Etherton‐Beer Christopher , Seubert Liza J. , Clark Vaughan , Hill Xaysja , King Stephanie , Clifford Rhonda M.
Published: July 2018

Aim

People with dementia commonly live with multiple comorbidities. This review aimed to review medications to manage chronic conditions in people who also have a diagnosis of dementia. The secondary aim was to determine whether drug utilisation for other conditions change as a result of dementia diagnosis.

Methods

Data source: We included experimental and observational studies where participants with dementia were diagnosed and treated for one or more comorbid conditions that reported health outcomes or drug utilisation. Study selection: MedLine and Embase databases were searched from inception to March 2016 (updated September 2016). Three researchers screened titles, abstracts and full‐text articles, then extracted data using a data extraction sheet.

Results

Six studies met inclusion criteria with 51 696 participants (mean age 81.1 ± 2.0 years, 78% female). One experimental study compared bisphosphonate use with placebo in people with mid‐stage dementia and found reduced risk of non‐vertebral fractures (OR = 0.27, 95% CI 0.12–0.61) in the bisphosphonate group. Five observational studies reported drug utilisation for people with dementia to treat comorbidities, namely depression, osteoporosis, diabetes and cardiovascular disease. Drug utilisation was found to be similar for depression, diabetes and cardiovascular disease for people with and without dementia, although bisphosphonate use was significantly reduced.

Conclusion

Evidence on medication use for comorbidities in people with dementia is currently limited to drug utilisation patterns and treatment of one comorbidity: osteoporosis. Comorbidities for people with dementia appear to be managed pharmacologically until the late stages of disease without considering time to benefit or that it is a life‐limiting condition.
SERS and DFT study of 5F‐PB‐22
Authors: Alkaseem Mohammad , Baron Mark
Published: July 2018

In this work, a joint experimental and theoretical study on the synthetic cannabinoid, 5F‐PB‐22 (1‐(5‐fluoropentyl)‐8‐quinolinyl ester‐1H‐indole‐3‐carboxylic acid) is reported. The molecular vibrations of 5F‐PB‐22 were investigated by Raman and surface‐enhanced Raman spectroscopy (SERS) spectroscopies. In parallel, quantum chemical calculations based on density functional theory (DFT) with the hybrid B3LYP exchange‐correlation functional coupled with the standard 3‐21G basis set were used to determine the geometrical and vibrational characteristics of 5F‐PB‐22 and to predict the adsorption geometry of the molecule on the silver colloidal surface. The SERS spectrum of 5F‐PB‐22 was recorded using a 532‐nm laser line and a hydroxylamine phosphate reduced silver colloid as the SERS substrate. SERS and Raman spectral bands have been assigned by comparison with the DFT calculated spectrum. A self‐aggregation spectrum was obtained, but in order to obtain a spectrum with NaCl as the aggregating agent, a two‐step procedure was developed. It was found that 10‐mM NaCl can be used as a trigger for aggregation before adding 5F‐PB‐22 followed by the addition of 20‐ to 100‐mM NaCl to complete aggregation. Using this procedure, 5F‐PB‐22 was easily detected at 2.12 × 10−8 M. Based on a predicted molecular adsorption geometry from the calculated molecular electrostatic potential and the SERS spectrum, it is proposed that the quinoline moiety of the molecule lies in a preponderant parallel orientation to the silver surface with the plane of the indole ring being perpendicular to the surface. The molecular orientation is affected by the surface coverage by 5F‐PB‐22 and the presence of Cl−.
Morphology Transition of Dual‐Responsive ABC Terpolymer in Water: Effect of Hydrophobic Block
Authors: Luo Chunhui , Wei Ning , Luo Xiaofang , Luo Faliang
Published: July 2018

To reveal the importance of hydrophobic block in morphology transition of responsive copolymers, four well‐defined ABC terpolymers with the same poly(dimethylamino ethyl methacrylate) (PDMAEMA) and PEG segments are synthesized by sequential RAFT polymerization. Poly (n‐hexyl methacrylate) (PnHMA), poly(n‐butyl methacrylate) (PnBMA), poly(ethyl methacrylate) (PEMA), and poly(methyl methacrylate) (PMMA), with glass transition temperatures of −5, 20, 65, and 100 °C, respectively, are selected as hydrophobic segments. The structures and compositions of four terpolymers, that is, mPEG45‐b‐PnHMA29‐b‐PDMAEMA28(EHD), mPEG45‐b‐PnBMA28‐b‐PDMAEMA32 (EBD), mPEG45‐b‐PEMA31‐b‐PDMAEMA30 (EED), and mPEG45‐b‐PMMA30‐b‐PDMAEMA29 (EMD), are confirmed by gel permeation chromatography and 1H NMR. Their morphology transitions in water are investigated via a combination of UV‐vis spectroscopy, light scattering, zeta potential measurements, and cryogenic transmission electron microscopy. All terpolymers can form spherical micelle by direct dissolution in acidic water. However, the spherical micelles of EBD and EHD progressively switch to cylinders and vesicles upon variations of external pH and temperature. In contrast, the spherical micelles of EMD and EED reversibly form larger aggregates when the temperature is above the cloud point of PDMAEMA in basic water. This study demonstrates the importance of hydrophobic block on the morphology transition of responsive copolymers.
Simple Strategy for Dual Control of Crystallization and Thermal Property on Polyesters by Dispersing Metal Salts Via Multiple Coordination Bonds
Authors: Hayashi Mikihiro , Shibata Keisuke , Kawarazaki Isamu , Takasu Akinori
Published: July 2018

In this study, metallo‐supramolecular polyesters with multiple coordination bonds along the chains are prepared, to demonstrate a simple strategy to control both the thermal property and crystallizability. Firstly, polyesters with multiple pyridine‐ligands are synthesized through melt polycondensation and subsequent Michael addition reaction. By adding a metal salt (ZnCl2), the fraction of metal‐coordinated pyridine‐ligands is systematically increased with increasing the Zn2+/pyridine‐ligands mole ratio according to Fourier transform infrared spectroscopy (FT‐IR) measurements, which is found to play a role in tuning the glass transition temperature. The metal‐ligand coordination simultaneously causes the disappearance of crystallization/melting peaks in differential scanning calorimetry (DSC) thermograms, and scattering measurements also indicate the disappearance of crystalline domains. A transparent film is thus obtained after blending small amounts of ZnCl2 (≪10 wt%), although the neat crystalline sample is highly opaque. This non‐crystallization phenomenon is induced by inhibition of the chain arrangement due to the existence of metal salts dispersed via coordination with pyridine‐ligands. By changing the fraction of pyridine‐ligands in the chain, it is found that the wider temperature range Tg tuning can be achieved for samples with higher ligand fractions.
Strategy for Preparing Mechanically Strong Hyaluronic Acid–Silica Nanohybrid Hydrogels via In Situ Sol–Gel Process
Authors: Lee Ho‐Yong , Kim Jinyoung , Hwang Chang‐Ha , Kim Hyoun‐Ee , Jeong Seol‐Ha
Published: July 2018

A hybridization method to prepare a hyaluronic acid (HA)‐based nanohybrid hydrogel is proposed that introduces an additional inorganic silica network via an in situ sol–gel process. HA hydrogels have been extensively studied because of their excellent biocompatibility and biological functions; however, their poor mechanical strength hinders their use in tissue engineering applications. In the present work, the sol–gel technique is employed to achieve the formation of a structurally organized silica network in the HA hydrogel matrix rather than mixing of discrete particles with the HA polymer matrix. Importantly, the silica densification process results in significant enhancement of the mechanical properties. In addition, the nanohybrid hydrogels exhibit great degradation resistance and bioactivity on both fibroblast and pre‐osteoblast cells. Moreover, the physical characteristics and biological properties can be modulated by varying the silica content; these materials thus show great potential for a wide range of applications for soft and hard tissues.
Glyco‐pseudodendrimers on a Polyester Basis: Synthesis and Investigation of Protein–Pseudodendrimer Interaction
Authors: Firdaus Shamila , Geisler Martin , Friedel Peter , Banerjee Susanta , Appelhans Dietmar , Voit Brigitte , Lederer Albena
Published: July 2018

Molar mass and end group number of a hyperbranched polyester are significantly increased by its transformation to a pseudodendrimer. Three generations of pseudodendrimers are obtained from hyperbranched aliphatic polyester core by modification with a protected AB*2 monomer. A sequence of protection and deprotection steps leads to OH‐terminated pseudodendrimers. NMR studies confirm maximum degree of branching in the first generation, which slightly decreases in the next two generations. Uniform, dense molecular structure formation was confirmed by MD simulation. Further modification to glyco‐pseudodendrimers was performed with α‐D‐mannose leading to high molar masses and dense distribution of sugar units. The interaction of these sugar units with a plant lectin concanavalin A (Con A) was investigated using dynamic light scattering and cryogenic transmission electron microscopy. The protein‐interaction studies of the glyco‐pseudodendrimers confirm a loose network with Con A. The interaction activity depends on the generation number and modification degree.
High‐throughput Docking and Molecular Dynamics Simulations towards the Identification of Novel Peptidomimetic Inhibitors against CDC7
Authors: Makhouri Farahnaz Rezaei , Ghasemi Jahan B.
Published: July 2018

Inhibition protein‐protein interactions (PPIs) using small molecules, that interfere with the formation of these complexes, modulates critical regulatory pathways and has therapeutic significance. DBF4‐dependent kinase CDC7 is the S‐phase checkpoint pathway target, which plays an important role for a proper response to DNA damage and replicative stress in multiple organisms. Overexpression of CDC7 and its protein regulator DBF4 is highly neurotoxic and promotes cancer and neurodegeneration. In the present study, virtual screening of inhibitor scaffolds mimicking DBF4 pharmacophoric properties was carried out and evaluation of their potential inhibitory activity toward CDC7 was performed using high‐throughput docking and molecular dynamics simulations. The calculations identified five small molecules exhibiting a high affinity to the active site region of the CDC7 protein.
A hybrid ensemble method for improved prediction of slope stability
Authors: Qi Chongchong , Tang Xiaolin
Published: July 2018

Accurate prediction of slope stability is a significant issue in geomechanics with many artificial intelligence (AI) techniques being utilised. However, the application of AI has not reached its full potential because of the lack of more robust algorithms. In this paper, we proposed a hybrid ensemble method for the improved prediction of slope stability using classifier ensembles and genetic algorithm. Gaussian process classification, quadratic discriminant analysis, support vector machine, artificial neural networks, adaptive boosted decision trees, and k‐nearest neighbours were chosen to be individual AI techniques, and the weighted majority voting was used as the combination method. Validation method was chosen to be the 10‐fold cross‐validation, and performance measures were selected to be the accuracy, the receiver operating characteristic curve, and the area under the receiver operating characteristic curve (AUC). Grid search and genetic algorithm were used for the hyperparameter tuning and weight tuning respectively. The results show that the proposed hybrid ensemble method has great potential in improving the prediction of slope stability. Compared with individual classifiers, the optimum ensemble classifier achieved the highest AUC value (0.943) and the highest accuracy (0.902) on the testing set, denoting that the predictive performance has been improved. The optimum ensemble classifier with the Youden's cut‐off was recommended for slope stability prediction with respect to the AUC value, the accuracy, the true positive rate, and the true negative rate. This research indicates that the use of the classifier ensembles, rather than the search for the ideal individual classifiers, might help for the slope stability prediction.
Mechanical properties prediction of polypropylene/short coir fibers composites using a self‐consistent approach
Authors: Semlali Aouragh Hassani Fatima‐Zahra , Ouarhim Wafa , Bensalah Mohammed Ouadi , Essabir Hamid , Rodrigue Denis , Bouhfid Rachid , Qaiss Abou el Kacem
Published: July 2018

Short coir fibers composite of thermoplastic polypropylene (PP) matrix was successfully prepared by using a twin‐screw extruder and an injection molding machine. In order to provide a better understanding of the effect of fiber orientation and concentration (2.5, 5, and 10 wt%) on the mechanical properties of short coir fibers reinforced PP, a self‐consistent approach was developed based on a modified Hirsch model by taking the empirical parameter (x) proportionally to the fiber orientation factor (α). Finally, the results are compared with other models (Hirsch and Tsai‐Pagano) and validated with experimental data. Overall, our approach was found to better predict the mechanical results in terms of Young's modulus, tensile strength and torsion modulus. POLYM. COMPOS., 40:1919–1929, 2019. © 2018 Society of Plastics Engineers
Modeling of ethylene copolymerization in nonisothermal high‐pressure reactors using bifunctional initiators
Authors: Khazraei P. K. F. , Dhib R.
Published: July 2018

Enhancing the performance of high‐pressure LDPE process is valuable for polymer industry. However, the severe thermodynamics requirement of high pressure and temperature hinders the reaction process from getting simultaneously high monomer conversion and polymer molecular weights. Bifunctional peroxides used as initiators can boost the polymerization rate and alter rheological polymer properties. This article proposes a new kinetics model of ethylene/butyl acrylate copolymerization with bifunctional initiators in a high‐pressure nonisothermal tubular reactor. Model predictions are compared with available data. A SQP optimization scheme is employed to determine a suitable wall temperature for each zone along the nonisothermal tubular reactor. In comparison with the monofunctional TBPPI peroxide, a lower amount of the bifunctional DHBPPI peroxide is needed to get a higher conversion in shorter residence time, but at the expense of higher thermal energy. The results also showed that polymers produced with bifunctional peroxides are significantly more branched. POLYM. ENG. SCI., 59:74–85, 2019. © 2018 Society of Plastics Engineers
Internal Temperature and Pressure and the Rate of Mass Loss from Hand Thrown Smoke Grenades
Authors: Williams Mike R. , Vrcelj Ranko M.
Published: July 2018

The functioning of commercially available coloured smoke grenades were analysed and compared to the underlying physical processes occurring within the pyrotechnic device. Measurements of exit and external temperatures mirrored data acquired of internal temperatures, leading to a strong qualitative correspondence between the sets of measurements. Simple modelling qualitatively describes the burning process, yielding back‐engineering information regarding the types of dyes used within the coloured smokes and shows that these are a good benchmark against which other typical studies ought to be developed. Measurements of internal pressures, coupled with those of the internal temperatures are used to model the mass loss of the grenade. This more complex simulation shows good quantitative correspondence with the experimental mass loss and promises to be the basis for more rigorous studies in the future for any type of pyrotechnic based smoke system.
Calcination Temperature Effect on Citrate‐Capped Iron Oxide Nanoparticles as Lithium‐Storage Anode Materials
Authors: Jung Won Sik , Oh Hang‐Deok , Kadam Abhijit N. , Lee Sang‐Wha
Published: July 2018

In this work, citrate‐capped magnetites (cit‐Fe3O4) are facilely synthesized according to a modified co‐precipitation method, and the resulting cit‐Fe3O4 underwent thermal calcination under N2 flow for 2 h. The calcined cit‐Fe3O4 at 500 °C, so‐called C‐Fe3O4 (500 °C), exhibits the XRD patterns attributed mainly to the fcc crystalline phases of magnetite (Fe3O4). On the other hand, the calcined cit‐Fe3O4 at 700 °C, so‐called C‐Fe2O3 (700 °C), exhibits the X‐ray diffraction (XRD) patterns attributed mostly to hexagonal crystalline phases of hematite (α‐Fe2O3). The iron oxides calcined at different temperatures (500, 600, 700 °C) are employed as active anode materials for Li‐ion batteries. After 80 cycles at the current rate of 0.1 C, the C‐Fe2O3 (700 °C) exhibits the higher reversible capacity by ≈200% than that of the C‐Fe3O4 (500 °C). The improved reversible capacity of the C‐Fe2O3 (700 °C) is attributed to the transformation of magnetite phases into hematite phases with higher crystallinity, which is more beneficial for faster transfer of charge carriers and structural stability.
White Neutron Holography in Pulsed Neutron Facilities
Authors: Ohoyama Kenji , Hayashi Kouichi
Published: July 2018

Slight changes in atomic structures by doping foreign elements in materials play an important role in functionality. This article presents a review of the newly developed technique, white neutron holography, which is an effective probe for investigations of effects of doping on atomic structures, particularly for light elements. The principle and advantages of white neutron holography are explained. Observations of local structures around the dopant in B‐doped Si, Eu‐doped CaF2 and other materials have already been succeeded, meaning that white neutron holography can be applied to various fields in materials science.
Bayesian basket trial design with exchangeability monitoring
Authors: Hobbs Brian P. , Landin Rick
Published: July 2018

Precision medicine endeavors to conform therapeutic interventions to the individuals being treated. Implicit to the concept of precision medicine is heterogeneity of treatment benefit among patients and patient subpopulations. Thus, precision medicine challenges conventional paradigms of clinical translational which have relied on estimates of population‐averaged effects to guide clinical practice. Basket trials comprise a class of experimental designs used to study solid malignancies that are devised to evaluate the effectiveness of a therapeutic strategy among patients defined by the presence of a particular drug target (often a genetic mutation) rather than a particular tumor histology. Acknowledging the potential for differential effectiveness on the basis of traditional criteria for cancer subtyping, evaluations of treatment effectiveness are conducted with respect to the “baskets” which collectively represent a partition of the targeted patient population consisting of discrete subtypes. Yet, designs of early basket trials have been criticized for their reliance on basketwise analysis strategies that suffered from limited power in the presence of imbalanced enrollment as well as failed to convey to the clinical community evidentiary measures for consistent effectiveness among the studied clinical subtypes. This article presents novel methodology for sequential basket trial design formulated with Bayesian monitoring rules. Interim analyses are based a novel hierarchical modeling strategy for sharing information among a collection of discrete potentially nonexchangeable subtypes. The methodology is demonstrated by analysis as well as permutation and simulation studies based on a recent basket trial designed to estimate the effectiveness of vemurafenib in BRAFV600 mutant non‐melanoma among six primary disease sites and histologies.
NIR Fluorescent AzaBODIPY‐Based Probe for the Specific Detection of L–Lysine
Authors: Jiang Xin‐Dong , Yue Shuai , Jia Lei , Li Shuang , Li Congling , Li Qian , Xiao Linjiu
Published: July 2018

With 1‐(5‐chloro‐thiophen‐2‐yl)‐ethanone as the starting material, 3,5‐dichloro‐azaBODIPY 2 was successfully prepared. AzaBODIPY can be modified by nucleophilic monosubstitution with N‐nucleophile at room temperature. Since the previous work on specifically detecting L‐lysine (Lys) is scarce, dichloro‐azaBODIPY 2 is valuable as a probe for detecting Lys. Probe 2 was found to be selective and sensitive to Lys. Moreover, probe 2 can be used to detect Lys in PC3 cells, indicating its potential application for studying the effect of Lys in biological systems.
Synthesis, Characterization and Nanochemistry of Novel Antibacterial Copper (II) Semicarbazone Complexes
Authors: Dhanwe Vaishali P. , Joshi Prasad G. , Kshirsagar Anuraj S. , Dhapte Vividha V. , Khanna Pawan K.
Published: July 2018

First report on copper (II) complexes (Cu (II)) of unsubstituted cyclic aliphatic semicarbazones is presented. Copper (II) complexes with semicarbazone derivatives of cyclopentanone (C5), cyclohexanone (C6), cycloheptanone (C7) and cyclooctanone (C8) are synthesized and characterized by physico‐chemical techniques such as melting point, Ultra Violet‐Visible, Diffuse Reflectance (UV‐Vis‐DRS), Fourier Transform Infra Red (FTIR), FT‐Raman, proton nuclear magnetic resonance (1HNMR) spectroscopy and Mass spectrometry. The electrochemical behavior of the complexes was studied using cyclic voltammetry revealing Cu (II) to Cu (I) redox couple. The molar conductance study of copper complexes showed non‐electrolytic nature. As‐synthesized ligands and their complexes were evaluated against gram ‐ve bacteria Escherichia coli. The antibacterial results of the ligands and complexes were compared. The copper complexes were found more effective against bacterial growth than ligands. As‐synthesized cyclooctanone copper complex (CC8) was successfully employed as precursor for synthesis of copper oxide nanoparticles and its fromation was confirmed by UV‐Visible spectroscopy and XRD analysis.
Sulfur‐Assisted Deprotection of Methylene Nitrile Group: One‐Pot Synthesis of 4‐Substituted‐2H‐1,2,3‐triazoles
Authors: Nagesh Hunsur Nagendra , Singireddi Srinivasarao , Suresh Amaroju , Nizalapur Shashidhar , Murugesan Sankaranarayanan , Kanneboina Kumar , Kumar Naresh , Sekhar Kondapalli Venkata Gowri Chandra
Published: July 2018

An operationally simpler one‐pot synthesis of 4‐substituted‐2H‐1,2,3‐triazole is demonstrated by unusual deprotection of methylene nitrile group using elemental sulfur. The strategy involves click reaction followed by deprotection of methylene nitrile group using elemental sulfur. Broad functional group tolerance with good to excellent yielding method has been developed. Also, N‐acyl‐cyclopentyl and hexyl amide 1,2,3‐triazole derivatives 6 m and 6 n were evaluated for their in vitro quorum sensing inhibition (QSI) activity against P. aeruginosa. Compounds 6 m and 6 n exhibited significant QSI activity with 49.7% and 50.7% in P. aeruginosa MH602 at 250 μM, respectively. We also report in vitro toxicity of these compounds against human embryonic kidney cell line. 6 m and 6 n are found to be less toxic in HEK 293 cell line.
Nickel Precipitation in Light and Elevated Temperature Degraded Multicrystalline Silicon Solar Cells
Authors: Deniz Hakan , Bauer Jan , Breitenstein Otwin
Published: July 2018

Multicrystalline silicon passivated emitter and rear contact (PERC) solar cells often show light and elevated temperature‐induced degradation (LeTID) followed by a regeneration process. In previous works, it has been found that this degradation/regeneration process can be described by a model including diffusion of still unknown recombination‐active point defects to the cell surface. The diffusion coefficient of this unknown species is compatible with interstitial Ni diffusion in Si. In this work, scanning transmission electron microscopy (STEM) and highly sensitive energy dispersive X‐ray analysis (EDX) results from altogether 14 positions taken from two cells fabricated from neighboring wafers are evaluated, one of the cells remaining virgin and the other one LeTID degraded. In two of the degraded samples thin Ni‐containing platelets are found, which are most probably nickel silicide platelets. This result is an indication that Ni can be involved in the LeTID degradation and regeneration process.
Data assimilation in the geosciences: An overview of methods, issues, and perspectives
Authors: Carrassi Alberto , Bocquet Marc , Bertino Laurent , Evensen Geir
Published: July 2018

We commonly refer to state estimation theory in geosciences as data assimilation (DA). This term encompasses the entire sequence of operations that, starting from the observations of a system, and from additional statistical and dynamical information (such as a dynamical evolution model), provides an estimate of its state. DA is standard practice in numerical weather prediction, but its application is becoming widespread in many other areas of climate, atmosphere, ocean, and environment modeling; in all circumstances where one intends to estimate the state of a large dynamical system based on limited information. While the complexity of DA, and of the methods thereof, stands on its interdisciplinary nature across statistics, dynamical systems, and numerical optimization, when applied to geosciences, an additional difficulty arises by the continually increasing sophistication of the environmental models. Thus, in spite of DA being nowadays ubiquitous in geosciences, it has so far remained a topic mostly reserved to experts. We aim this overview article at geoscientists with a background in mathematical and physical modeling, who are interested in the rapid development of DA and its growing domains of application in environmental science, but so far have not delved into its conceptual and methodological complexities.

This article is categorized under:

Climate Models and Modeling > Knowledge Generation with Models
Helical Polyacetylenes Induced via Noncovalent Chiral Interactions and Their Applications as Chiral Materials
Authors: Maeda Katsuhiro , Yashima Eiji
Published: July 2018

Construction of predominantly one-handed helical polyacetylenes with a desired helix sense utilizing noncovalent chiral interactions with nonracemic chiral guest compounds based on a supramolecular approach is described. As with the conventional dynamic helical polymers possessing optically active pendant groups covalently bonded to the polymer chains, this noncovalent helicity induction system can show significant chiral amplification phenomena, in which the chiral information of the nonracemic guests can transfer with high cooperativity through noncovalent bonding interactions to induce an almost single-handed helical conformation in the polymer backbone. An intriguing "memory effect" of the induced macromolecular helicity is observed for some polyacetylenes, which means that the helical conformations induced in dynamic helical polyacetylene can be transformed into metastable static ones by tuning their helix-inversion barriers. Potential applications of helical polyacetylenes with controlled helix sense constructed by the "noncovalent helicity induction and/or memory effect"’ as chiral materials are also
described
Wie Wien wächst: Monitoring aktueller Trends hinsichtlich Bevölkerungs- und Siedlungsentwicklung in der Stadtregion Wien
Authors: Eder Jakob , Gruber Elisabeth , Görgl Peter , Hemetsberger Markus
Published: July 2018

Like other urban regions in Europe, Vienna has experienced a pronounced population growth that exceeds any previous assumptions. The study at hand discusses a methodology for a monitoring of the urban region, which was generated to assess these developments in detail. It focuses on a few but crucial indicators, namely: population growth, birth and migration rates, migration flows and building land availability on a small scale. The results show that the strong population growth is predominantly caused by high net migration gains from other parts of Austria and foreign countries. These gains have been increasing recently and focused mainly on the core city. Hence, there is a growing tendency towards (re-)urbanisation. In contrast, the numbers of suburbanisation migration are stagnating, although at a high level. Therefore, different phases of urban development can be observed at the same time, though their impact is changing. In addition, a responsible handling of the remaining land reserves and a higher building density are necessary in the future to provide housing for further population growth in the urban region. Future monitoring projects could build upon the following recommendations: First, small-scale and register-based data should be increasingly used for the analysis of urban regions. Second, scenarios for the future development are an effective method to illustrate the results. Third, such findings should be embedded increasingly in an international context, both from a planning and a scientific perspective.
Litigating Honor, Defamation, and Shame in Southern Rhodesia
Authors: Shutt Allison K.
Published: July 2018

This article reviews the history of defamation cases involving Africans in Southern Rhodesia. Two precedent-setting cases, one in 1938 and the other in 1946, provided a legal rationale for finding defamation that rested on the ability of litigants to prove they had been shamed. The testimony and evidence of these cases, both of which involved government employees, tracks how colonial rule was altering hierarchy and changing definitions of honor, often to the bewilderment of the litigants themselves. Importantly, both cases concluded that African employees of the state deserved special protection from defamation. The article then traces how the rules and ambiguities resulting from the legal logic of the 1938 and 1946 cases gave a wider group of litigants such as clerks, police, clergy, and teachers room to maneuver in the courtroom where they also claimed their professional honor. Such litigants perfectly understood the expectations of the court and performed accordingly by recounting embarrassing, even painful, experiences, all to validate their personal and professional honor in court. Such performances raise the question of how we might use court records to write a history of the emotional costs to people who used astute strategies that rested on dishonorable revelations to win their cases.
Variation of the band structure in DKDP crystal excited by intense sub-picosecond laser pulses
Authors: Peng Xiaocong , Zhao Yuanan , Wang Yueliang , Cao Zhen , Hu Guohang , Shao Jianda
Published: July 2018

The nonlinear absorption (NLA) properties of potassium dideuterium phosphate crystals at 515 nm under different excitation laser intensities are investigated with the Z-scan technique. Two critical intensities are highlighted: the critical intensity for exciting the NLA and the critical intensity of the multiphoton absorption mechanism transition. Experimental results indicate the existence of defect states located in the band gap, which can be manipulated by varying laser intensity. A model based on the change of multiphoton absorption mechanism induced by the transformation of defect species is proposed to interpret the experiments. Modeling results are in good agreement with the experiment data.