bluuebunny/crossref_metadata_2025 huggingface dataset:
Acceleration of 3D DOSY NMR by Spatial Encoding of the Chemical Shift
Authors: Jacquemmoz Corentin , Dumez Jean‐Nicolas
Published: October 2018

Diffusion‐ordered NMR spectroscopy (DOSY) is a powerful method for the analysis of solution mixtures. With 3D DOSY, the 2D NMR spectra of a mixture's components can be separated according to the translational diffusion coefficient of each component. The acquisition of 3D DOSY data is, however, very time‐consuming because of the need to consecutively acquire scans for both the diffusion and the indirect spectral dimensions. We show that spatial encoding of the indirect spectral dimension, of the kind used in ultrafast 2D NMR, can accelerate 3D DOSY experiments by an order of magnitude or more. This is illustrated with homonuclear single‐quantum (COSY) and double‐quantum (DQS) correlation spectra. Implementations with concatenated and incorporated (iDOSY) diffusion blocks are compared and in both cases, 2D spectra are separated with less than 6 min of experiment time.
Spectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane
Authors: Bouwman Jordy , Horst Stefan , Oomens Jos
Published: October 2018

A structural characterization of the products formed in the dissociative electron ionization of adamantane (C10H16) is presented. Molecular structures of product ions are suggested based on multiple‐photon dissociation spectroscopy using the Free Electron Laser for Infrared eXperiments (FELIX) in combination with quantum‐chemical calculations. Product ions are individually isolated in an ion trap tandem mass spectrometer and their action IR spectra are recorded. Atomic hydrogen loss from adamantane yields the 1‐adamantyl isomer. The IR spectrum of the C8H11+ product ion is best reproduced by computed spectra of 2‐ and 4‐protonated meta‐xylene and ortho‐ and para‐protonated ethylbenzenes. The spectrum of the product ion at m/z 93 suggests that it is composed of a mixture of ortho‐protonated toluene, para‐protonated toluene and 1,2‐dihydrotropylium, while the spectrum of the m/z 79 ion is consistent with the benzenium ion. This study thus suggests that adamantane is efficiently converted into aromatic species and astrophysical implications for the interstellar medium are highlighted.
Photochemical Synthesis of cis,trans,cis‐1,2,3,4‐Tetrakis(diphenylphosphanyl)buta‐1,3‐diene and Its Metal Coordination
Authors: Prock Johannes , Ehrmann Katharina , Viertl Wolfgang , Pehn Richard , Pann Johann , Roithmeyer Helena , Bendig Marvin , Rodríguez Villalón Alba , Kopacka Holger , Dumfort Alexander , Oberhauser Werner , Clausing Simon T. , Knör Günther , Brüggeller Peter
Published: October 2018

The new bis(bidentate) tetraphosphane cis,trans,cis‐1,2,3,4‐tetrakis(diphenylphosphanyl)buta‐1,3‐diene (dppbd) (7) was obtained by applying a photochemical synthetic protocol. The key step of the photochemical reaction consisted of an intramolecular [2+2] cycloaddition involving a C–C double and triple bond of the Pt‐dimer species of the formula [Pt2Cl4(dppa)(trans‐dppen)] (2) {dppa = 1,2‐bis(diphenylphosphanyl)acetylene and dppen = 1,2‐bis(diphenylphosphanyl)ethene} leading to [Pt2Cl4(dppbd)] (5). The asymmetrically bridged precursor complex 2 was obtained by combinatorial chemistry. Single crystal X‐ray structure analyses of 2 and 5 proved that the intramolecular photochemical reaction occurred. Cyanolysis of 5 gave 7, which was oxidized to dppbdO4 (8). Compounds 7, 8, and the PdII dimer complex [Pd2Cl4(dppbd)] (9) were characterized in the solid state by a single‐crystal X‐ray structure analysis. Interesting photophysial properties emerged from the UV/Vis spectra acquired for 7 and the dimer Os complexes meso‐Δ,Λ/Λ,Δ‐[Os2(bpy)4(dppbd)](PF6)4 (10) and rac‐Δ,Δ/Λ,Λ‐[Os2(bpy)4(dppbd)](PF6)4 (11).
Copper‐Catalyzed Self‐Condensation of Benzamide: Domino Reactions towards Quinazolinones
Authors: Sayyad Nisar , Cele Zamani , Aleti Rajeshwar Reddy , Bera Milan , Cherukupalli Srinivasulu , Chandrasekaran Balakumar , Kushwaha Narva Deshwar , Karpoormath Rajshekhar
Published: October 2018

We herein report a simple and highly efficient microwave‐assisted, copper‐catalyzed and ligand‐free synthetic method for 2‐substituted 4(3H)‐quinazolinones as domino reaction. This reaction proceeds via self‐condensation of substrate (2‐bromo/iodo benzamide) in the presence of a strong base and copper catalyst. The substituted quinazolinones were obtained in one‐pot reaction by intramolecular cyclization (condensation) via Ullmann–type intermediate. Both the intermediates and quinazolinones were obtained in good yield and can be further used as building blocks for developing the potential novel drug‐like compounds.
Phosphinous Acid Platinum Complex as Robust Catalyst for Oxidation: Comparison with Palladium and Mechanistic Investigations
Authors: Membrat Romain , Vasseur Alexandre , Martinez Alexandre , Giordano Laurent , Nuel Didier
Published: October 2018

Secondary phosphine oxides proved to be effective preligands to stabilise a hydroxy‐platinum based catalyst that allows the aerobic/anaerobic oxidation of challenging substrates. Kinetic comparisons showed that this system is more efficient and stable than previously reported similar palladium‐based catalysts. A neutral platinum dimer bearing bridging hydroxy ligands has been isolated and fully characterised by X‐ray diffraction and its involvement in the mechanism has been evidenced by mechanistic studies.
Pd‐Catalyzed Trifluoromethylthiolation of Unsaturated Compounds: A General Approach
Authors: Zhao Qun , Chen Mu‐Yi , Poisson Thomas , Pannecoucke Xavier , Bouillon Jean‐Philippe , Besset Tatiana
Published: October 2018

In this study, a general approach towards the synthesis of trifluoromethylthiolated olefinic and aromatic compounds was developed. Under Pd‐catalysis, the direct introduction of a SCF3 group was realized in the presence of the Munavalli reagent as the electrophilic SCF3 source and in the absence of additives. A large number of acrylamides and aromatic amides derived from 8‐aminoquinoline and 5‐methoxy‐aminoquinoline were functionalized in moderate to high yields (up to 89 %). The cleavage of the directing groups was smoothly achieved, demonstrating further the synthetic utility of the present approach and offering a straightforward access to various original SCF3‐containing molecules.
A Highly Reversible and Low‐Cost Sulfur‐Graphite Dual‐Ion Battery
Authors: Shuai Yi , He Xuan , Zhang Zeping , Chen Kanghua , Lou Jin , Wang Yu , Li Na
Published: October 2018

The development of energy storage systems (ESSs) has received increasing attention due to the environmental degradation and fossil fuel shortage. In this study, a highly reversible sulfur‐graphite dual‐ion battery is developed, in which sulfurized polyacrylonitrile (S@PAN) is used as the anodic material. Compared with a graphite (372 mAh g−1) or aluminum (structural instability) anode in a dual‐ion battery, this anodic material exhibits an excellent structural stability and a high specific capacity during lithiation or delithiation. Statistically, a considerable specific capacity of 750 mAh g−1 when calculated based on the weight of S@PAN over a voltage plateau of ≈2 V with only a 7% capacity loss is achieved after 50 cycles at 100 mA g−1 and shows an attractive rate performance at different current densities. This sulfur‐graphite dual‐ion battery is considered to become a promising ESS candidate.
The potential of nonliving Sargassum hemiphyllum as a biosorbent for nickel(II) removal—isotherm, kinetics, and thermodynamics analysis
Authors: Fan Xiaoli , Xia Jianrong , Long Jianyou
Published: October 2018

The ability of non‐living Sargassum hemiphyllum to remove nickel(II) from aqueous solutions was investigated. The optimum adsorption condition was occurred at a pH range from 4 to 8, a biomass of 0.5 g L−1, and an initial nickel(II) concentration of 250 mg L−1 with a contact time of 20 min. The Langmuir, Freundlich, and Dubinin‐Radushkevich isotherm models were used to fit the adsorption isotherms. The fitting results were more in line with the Langmuir model (R2 = 0.9915), and the maximum adsorption capacity obtained by Langmuir model was 42.95 mg g−1 at 308 K, respectively. The biosorption kinetics were analyzed using the pseudo‐first‐order, pseudo‐second‐order and intraparticle diffusion, and it was determined that they followed pseudo‐second‐order kinetics (R2 = 0.9996) at 308 K. The enthalpy (ΔH°) and entropy (ΔS°) change of adsorption was 3.95 kJ mol−1 and 20.28 J mol−1 K−1, respectively, which indicated that the adsorption was spontaneous and endothermic. The biosorbents were also characterized by Fourier infrared spectroscopy (FT‐IR), Scanning electron microscopy and Energy disperse spectroscopy (SEM‐EDS), and X‐ray photoelectron spectroscopy (XPS). The characterization analysis demonstrated that the functional groups such as hydroxyl, carboxyl, amino, and methyl on the algal surface involved in the adsorption for nickel(II). Our results suggested that the nonliving S. hemiphyllum could be used as an effective biosorbent for the removal of nickel(II) from wastewater. © 2018 American Institute of Chemical Engineers Environ Prog, 38: S250–S259, 2019
Superhydrophobic nylon cloth coated with modified silica used for oil–water separation
Authors: Li Beibei , Zhang Xinying
Published: October 2018

The handling of oil spill accidents is a global challenge to prevent further deterioration of our environment. Oil–water separation membrane has become a great choice to settle the emergency accidents. Due to the strong organization, resistance to wear and tear as well as easy to clean, nylon cloth is firstly chosen as a substrate in our study. Silica was used as the coating material, which was modified by methyltrichlorosilane. The modification made silica particles hydrophobic. After the coating of modified silica particles, the surface of the nylon cloth became much rougher than before. The rough surface improved the hydrophobicity of nylon cloth. The water contact angle (WCA) reached 150.3°. On the other hand, oil could be separated from oil–water mixture rapidly through this membrane without any extra force. On the whole, the above properties make the nylon cloth coated with modified silica particles a more suitable material for oil–water separation in oil spill accidents. © 2018 American Institute of Chemical Engineers Environ Prog, 38:e13051, 2019
Electrocodeposition method to synthesize low‐cost cathodes based on inert carriers for bioenergy production and wastewater treatment in microbial fuel cells
Authors: Guendouz Samah , Salar‐García Maria Jose , Ortiz‐Martínez Victor Manuel , Zerrouki Aicha , Houcine Ilikti , de los Ríos Antonia Pérez , Hernández‐Fernández Francisco José
Published: October 2018

In this work, platinum‐free based cathodes are investigated for their application in microbial fuel cells (MFCs). Carbon cloth and stainless steel grid were employed as different supporting materials for the electrodeposition of three types of inert carriers, for example, clay, silica, and aluminum‐nickel alloy, all of them combined with nickel. This work evaluates the potential of this technique in order to elaborate active MFC cathodes. The voltammograms obtained confirm both the reduction of protons, with the adsorption of hydrogen from −0.5 to −1.8 V, and the oxidation of water, producing sufficient current intensity to reduce oxygen. Among the options investigated, cathodes based on aluminum‐nickel alloy/nickel achieved the highest catalytic activity, being carbon cloth the most suitable supporting material. Thus, aluminum‐nickel alloy/nickel electrocodeposited onto carbon cloth exhibited the highest levels of power output (150 mW.m−3) when tested in MFCs fed with wastewater. This type of low cost cathodes also offers promising results for wastewater treatment reaching up to 90% of chemical oxygen demand removal. © 2018 American Institute of Chemical Engineers Environ Prog, 38:e13083, 2019
Variable hillslope‐channel coupling and channel characteristics of forested mountain streams in glaciated landscapes
Authors: Hassan Marwan A. , Bird Stephen , Reid David , Ferrer‐Boix Carles , Hogan Dan , Brardinoni Francesco , Chartrand Shawn
Published: October 2018

Channel morphology of forested, mountain streams in glaciated landscapes is regulated by a complex suite of processes, and remains difficult to predict. Here, we analyze models of channel geometry against a comprehensive field dataset collected in two previously glaciated basins in Haida Gwaii, B.C., to explore the influence of variable hillslope–channel coupling imposed by the glacial legacy on channel form. Our objective is to better understand the relation between hillslope–channel coupling and stream character within glaciated basins. We find that the glacial legacy on landscape structure is characterized by relatively large spatial variation in hillslope–channel coupling. Spatial differences in coupling influence the frequency and magnitude of coarse sediment and woody material delivery to the channel network. Analyses using a model for channel gradient and multiple models for width and depth show that hillslope–channel coupling and high wood loading induce deviations from standard downstream predictions for all three variables in the study basins. Examination of model residuals using Boosted Regression Trees and nine additional channel variables indicates that ~10 to ~40% of residual variance can be explained by logjam variables, ~15–40% by the degree of hillslope–channel coupling, and 10–20% by proximity to slope failures. These results indicate that channel classification systems incorporating hillslope–channel coupling, and, indirectly, the catchment glacial legacy, may present a more complete understanding of mountain channels. From these results, we propose a conceptual framework which describes the linkages between landscape history, hillslope–channel coupling, and channel form. © 2018 John Wiley & Sons, Ltd.
Wind tunnel tests of the dynamic processes that control wind erosion of a sand bed
Authors: Wang Xuesong , Zhang Chunlai , Huang Xiaoqi , Shen Yaping , Zou Xueyong , Li Jiao , Cen Songbo
Published: October 2018

Aeolian sand transport is a complicated process that is affected by many factors (e.g. wind velocity, sand particle size, surface microtopography). Under different experimental conditions, erosion processes will therefore produce different results. In this study, we conducted a series of wind tunnel experiments across a range of wind velocities capable of entraining sand particles (8.0, 10.0, 12.0, and 14.0 m s‐1) to study the dynamic changes of the shear velocity, aerodynamic roughness length, and sand transport. We found that the shear velocity and aerodynamic roughness length are not constant; rather, they change dynamically over time, and the rules that describe their changes depend on the free‐stream air velocity. For wind tunnel experiments without feeding sand into the airflow, the sand bed elevation decreases with increasing erosion time, and this change significantly affected the values of shear velocity and aerodynamic roughness length. A Gaussian distribution function described the relationships between the sand transport rate (qT) and the duration of wind erosion (T). It is therefore necessary for modelers to consider both deflation of the bed and the time scale used when calculating sand transport or erosion rates. © 2018 John Wiley & Sons, Ltd.
Estimating returns to fertilizer adoption with unobserved heterogeneity: Evidence from Ethiopia
Authors: Wossen Tesfamicheal , Gatiso Tsegaye T. , Kassie Menale
Published: October 2018

This paper examines the relationship between chemical fertilizer adoption and agricultural productivity in Ethiopia. Our results suggest that average returns to fertilizer adoption are high. Further, we find substantial heterogeneity across farm households in returns to fertilizer adoption, with comparative advantage playing a significant role in the adoption decision of farmers. While the adoption decision of farmers was largely rational, fertilizer use across plots was sub‐optimal. The results of this paper underscore the importance of improving farmers awareness about proper use of fertilizer through site‐specific extension services for improving agricultural productivity.
Depression and excess mortality in the elderly living in low‐ and middle‐income countries: Systematic review and meta‐analysis
Authors: Brandão Diego José , Fontenelle Leonardo Ferreira , da Silva Simone Almeida , Menezes Paulo Rossi , Pastor‐Valero Maria
Published: October 2018

Objective

To investigate the association between depression and mortality in the elderly living in low‐ and middle‐income countries.

Methods

A systematic review and meta‐analysis was performed. We searched in five electronic databases for observational studies investigating the association between mortality and depression. Two reviewers worked independently to select articles, extract data, and assess study quality.

Results

A total of 10 studies including 13 828 participants (2402 depressed and 11 426 nondepressed) from six countries (Brazil, four articles; China, two articles; Botswana, India, South Africa, and South Korea, one article) were included. The overall unadjusted relative risk (RR) of mortality in depressed relative to nondepressed participants was 1.62 (95% CI, 1.39‐1.88; P < 0.001), with high heterogeneity (I2 = 66%; 95% CI, 33‐83; P < 0.005). After adjustment for publication bias, the overall RR decreased to 1.60 (95% CI, 1.37‐1.86; P < 0.001). No significant differences were observed between subgroups except those defined by study quality. The high‐quality studies had a pooled RR of 1.48 (95% CI, 1.32‐1.67; P < 0.001), while the low‐quality studies resulted had a pooled RR of 1.82 (95% CI, 1.25‐2.65; P < 0.005).

Conclusions

Depression is associated with excess mortality in the elderly living in low‐ and middle‐income countries. In addition, this excess mortality does not differ substantially from that found in high‐income countries. This suggests environmental factors occurring in low‐ and middle‐income countries might not have a direct association with the excess mortality in the depressed elderly.
Factors associated with complications in total laryngectomy without microvascular reconstruction
Authors: Helman Samuel N. , Brant Jason A. , Kadakia Sameep K. , Newman Jason G. , Cannady Steven B. , Chai Raymond L.
Published: October 2018

Background

There is little population‐level data evaluating risk factors for postoperative complications after total laryngectomy.

Methods

We conducted a retrospective review of the American College of Surgeons National Quality Improvement Program identifying patients who underwent total laryngectomy as a primary procedure from 2005 to 2014. Multivariate analysis was performed to identify variables that were independently associated with overall and major complications.

Results

Eight hundred seventy‐one cases met inclusion criteria. Three hundred twenty‐eight patients (37.7%) had complications, with operative time (hours; P < .0001), class III (P < .001) wound status, and patient age (decade; P = .003) associated with overall complications. Two hundred one patients had major complications that were associated with steroid use (P = .01) and class III (P = .0083) wound classification. Preoperative hematocrit was correlated with a reduction of all and major complications on multivariate analysis (P < .0001 and P = .036).

Conclusion

Identifying and optimizing risk factors may improve outcomes in total laryngectomy.
Gender affects early psychomotor milestones and long‐term neurodevelopment of preterm infants
Authors: Di Rosa Gabriella , Pironti Erica , Cucinotta Francesca , Alibrandi Angela , Gagliano Antonella
Published: October 2018

Temporal differences of neurodevelopmental milestones' achievement are commonly taken into account in preterm infant assessment during the first year of life, especially when minor or none neurological signs arise from clinical examination. The influence of gender on neurodevelopment in preterm infants was examined by a milestones‐based neurological approach. Two‐hundred twenty‐seven moderate and late preterm and full‐term infants (51.9% male), without evidence of severe white matter insults, were early assessed by classic neurological examination. Griffiths Mental Developmental Scale was used at long‐term observation. Children were sorted into three gestational age groups (Group 1: 32–33 weeks, Group 2: 34–36 weeks, and Group 3: ≥37 weeks) and compared according to their neurodevelopmental pathways and gender. The achievement of head control was slightly earlier in females. The pointing, one of the main communicative hand gesture, appeared significantly earlier in females across all the groups. At the Griffiths Scale, the majority of gender‐related differences emerged in personal–social and eye and hand coordination subscale. An independent role of male gender was evidenced in personal–social, language, and eye and hand coordination subscales. Gender and gestational age likely addressed different temporal profiles of neurodevelopment in early and late assessments in preterm and full‐term infants. The role of gender and gestational age on these findings has been discussed.

Highlights

A classic, milestones‐based neurological evaluation disclosed different developmental profiles in males versus females preterm infants.

Moderate preterm and full‐term infants showed similar developmental profiles.

Gender and gestational age may influence neurodevelopment.
Industrial structure and the probability of crisis: Stability is not resilience*
Authors: Lee Dongyeol , Lim Hyunjoon
Published: October 2018

We utilize country‐level data to investigate the empirical linkage between an economy's industrial structure and the probability of a banking crisis. This paper shows that a higher share of the service sector tends to significantly increase the risk of a banking crisis. We also explore the potential channels through which the industrial structure may affect an economy's vulnerability to external shocks. The result of the analysis suggests that a higher share of the service sector substantially increases vulnerability to a banking crisis through deterioration in profits and worsening of the current account balance. Our study provides some implications for the recent acceleration of deindustrialization in several emerging and advanced economies: for example, the industrial policy should call for a more cautious approach to reduce the potential risks of deindustrialization (increase in crisis vulnerability).
Common idiosyncratic volatility and returns: From an investment horizon perspective
Authors: Yin Libo , Shu Tengjia , Su Zhi
Published: October 2018

“Idiosyncratic risk–return puzzle” is conflicting and confusing. It becomes more complex by the introduction of the common idiosyncratic volatility (CIV). We shed new light on the issue from the perspective of heterogeneity of investors with different investment horizons. We study the “CIV puzzle” with Chinese A‐Share market evidence and further contribute by employing the wavelet multiresolution analysis framework to decompose the overall CIV into timescales that refer to risks in different terms. We apply these timescales in Fama–Macbeth regressions to investigate their pricing effects. The results suggest that the “CIV puzzle” is an investment horizon specification problem. The relationship between returns and common idiosyncratic risk is negative in the short run, positive in the intermediate run, and then negative again in the longer run. We also contribute to the international empirical evidence with an in‐depth analysis of the Chinese stock market over the period 1999–2016. The results are robust across different specifications of the CIV. Our findings have important implications for portfolio and risk management.
Effect of determinants on financial leverage in Indian steel industry: A study on capital structure
Authors: Dakua Sarada
Published: October 2018

Because India is neither a developed country nor its steel companies are financially self‐sufficient, they are bound to depend on the external capital, resulting the decision to be taken on the leverage ratio as even more crucial. India being the top exporter of iron ores has the potential to be counted as one of the top exporters of steel if the steel companies follow optimal capital structure. Thus, the leverage ratio needs thorough investigation in order to decide the optimal capital structure. Although there have been some attempts, they are not extensive. The objective of this study is to empirically investigate the present capital structure of Indian steel industry from years 2010 until 2017 and the determinants of capital structure and how these determinants correlate with financial leverage. The research objectives are (1) to identify the significant determinants that affect the capital structure and (2) to conduct an extensive and empirical research in order to estimate the correlations of the determinants with the financial leverage. Seven key determinants have been found: They are profitability, asset structure, size, growth opportunities, non‐debt tax shield, liquidity, and risk. The profitability is found to be highly correlated with the debt ratio as was expected and reported in previous studies. The correlations among the determinants such as asset structure, size, and non‐debt tax shield are statistically significant. Profitability and liquidity carry positive relationship with debt ratio, although there is a negative relationship between debt ratio and asset structure.
Homeownership motivation, rationality, and housing prices: Evidence from gloom, boom, and bust‐and‐boom economies
Authors: Alexiou Constantinos , Chan Aaron‐Samuel , Vogiazas Sofoklis
Published: October 2018

By focusing on three types of homebuyers, we address three questions: (a) Do households drive housing prices? (b) Do households and landlords act rationally in their buying decisions? (c) Is the market conducive to promoting homeownership or is it a speculators' territory? We use system Generalized Method of Moments (GMM) estimations based on 1970–2016 data, for 34 economies clustered as gloom, boom, or bust‐and‐boom, and we provide novel evidence that all three types of homebuyers contribute significantly to the determination of housing prices. Households and landlords seem to act irrationally as their decisions are not greatly affected by housing affordability or shrinking yields.
The efficacy of macroeconomic policies in resolving financial market disequilibria: A cross‐country analysis
Authors: Singh Gurcharan , Wilson Albert , Halari Anwar
Published: October 2018

This study attempts to evaluate the efficacy of macroeconomic policies in resolving financial market disequilibria and to elucidate the influence of the political landscape and global financial integration on the policymaking process. The current investigation examines three macroeconomic policies: (a) government spending, (b) liquidity provision, and (c) central bank interest rates by analysing 21 countries around the globe. The results suggest that government spending is a suboptimal macroeconomic policy for mitigating imbalances in financial markets, as it may have destabilizing effects. Liquidity provision was found to be ineffective in facilitating financial market stability whereas the adjustment of interest rates was found to be a viable tool for mitigating financial market imbalances. Therefore, an appropriate policy framework would comprise the following: prudent government spending, conditional liquidity provision, and a reduction in interest rates following the development of financial market disequilibria. Furthermore, this study found strong evidence against the notion that political orientations influence policy frameworks, which were designed to redress financial market disequilibria. This study also found that global financial integration does not influence the policymaking process.
How do investors price stocks?—Evidence with real‐time data from Vietnam
Authors: Quach Hao , Nguyen Hoang , Nguyen Linh
Published: October 2018

Our paper employs a data set that comprises real‐time data, which, in our study, is defined as the best known data available to investors at the time of making decision. The research was inspired by comments by industry leaders at an international conference in finance in Vietnam in 2016, basically implying that academic research findings were not useful to investors because they had not done in the way that investors think and do. Drawing on an alike experiment study using real‐time data for a period from October 2010 to April 2014, our paper documents that the value and liquidity effect do not exist in Vietnam, and the size effect is weak. Specifically, we find that growth and high‐liquidity stocks outperform and do not find strong evidence for the outperformance of small stocks. This finding contradicts the general literature, which suggests that value, low liquidity, and small stocks outperform but supports similar contradicting findings for emerging markets. The findings from our research are important to investors in Vietnam market because they are drawn on the decision‐making basis that investors in this market normally do. Our research findings also suggest the use of a multifactor pricing model that is relevant for valuing stocks in Vietnam. In addition, to check the reliability of our data set and the robustness of our conclusions, we repeated the same procedure using two samples of historical data and compared with results from our data. The additional analysis confirms the reliability of our data and findings.
Cancer of the vulva
Authors: Rogers Linda J. , Cuello Mauricio A.
Published: October 2018

Vulvar cancer is an uncommon gynecological malignancy primarily affecting postmenopausal women. There is no specific screening and the most effective strategy to reduce vulvar cancer incidence is the opportune treatment of predisposing and preneoplastic lesions associated with its development. While vulvar cancer may be asymptomatic, most women present with vulvar pruritus or pain, or have noticed a lump or ulcer. Therefore, any suspicious vulvar lesion should be biopsied to exclude invasion. Once established, the most common subtype is squamous cell carcinoma. Treatment of vulvar cancer depends primarily on histology and surgical staging. Treatment is predominantly surgical, particularly for squamous cell carcinoma, although concurrent chemoradiation is an effective alternative, particularly for advanced tumors. Management should be individualized, and carried out by a multidisciplinary team in a cancer center experienced in the treatment of these tumors.
Cancer of the ovary, fallopian tube, and peritoneum
Authors: Berek Jonathan S. , Kehoe Sean T. , Kumar Lalit , Friedlander Michael
Published: October 2018

The Gynecologic Oncology Committee of FIGO in 2014 revised the staging of ovarian cancer, incorporating ovarian, fallopian tube, and peritoneal cancer into the same system. Most of these malignancies are high‐grade serous carcinomas (HGSC). Stage IC is now divided into three categories: IC1 (surgical spill); IC2 (capsule ruptured before surgery or tumor on ovarian or fallopian tube surface); and IC3 (malignant cells in the ascites or peritoneal washings). The updated staging includes a revision of Stage IIIC based on spread to the retroperitoneal lymph nodes alone without intraperitoneal dissemination. This category is now subdivided into IIIA1(i) (metastasis ≤10 mm in greatest dimension), and IIIA1(ii) (metastasis >10 mm in greatest dimension). Stage IIIA2 is now “microscopic extrapelvic peritoneal involvement with or without positive retroperitoneal lymph node” metastasis. This review summarizes the genetics, surgical management, chemotherapy, and targeted therapies for epithelial cancers, and the treatment of ovarian germ cell and stromal malignancies.
Update on the diagnosis and management of gestational trophoblastic disease
Authors: Ngan Hextan Y.S. , Seckl Michael J. , Berkowitz Ross S. , Xiang Yang , Golfier François , Sekharan Paradan K. , Lurain John R. , Massuger Leon
Published: October 2018

Gestational trophoblastic disease (GTD) arises from abnormal placenta and is composed of a spectrum of premalignant to malignant disorders. Changes in epidemiology of GTD have been noted in various countries. In addition to histology, molecular genetic studies can help in the diagnostic pathway. Earlier detection of molar pregnancy by ultrasound has resulted in changes in clinical presentation and decreased morbidity from uterine evacuation. Follow‐up with human chorionic gonadotropin (hCG) is essential for early diagnosis of gestational trophoblastic neoplasia (GTN). The duration of hCG monitoring varies depending on histology type and regression rate. Low‐risk GTN (FIGO Stages I–III: score <7) is treated with single‐agent chemotherapy but may require additional agents; although scores 5–6 are associated with more drug resistance, overall survival approaches 100%. High‐risk GTN (FIGO Stages II–III: score >7 and Stage IV) is treated with multiple agent chemotherapy, with or without adjuvant surgery for excision of resistant foci of disease or radiotherapy for brain metastases, achieving a survival rate of approximately 90%. Gentle induction chemotherapy helps reduce early deaths in patients with extensive tumor burden, but late mortality still occurs from recurrent resistant tumors.
Cancer in pregnancy
Authors: Botha Matthys H. , Rajaram Shalini , Karunaratne Kanishka
Published: October 2018

The incidence of cancer in pregnancy is increasing. The most frequent malignancies include breast and cervical cancers. Diagnosis may be complicated by late presentation. Imaging during pregnancy should consider risks to the fetus. Diagnostic work‐up, including tumor markers, can be influenced by the physiology of pregnancy. Treatment of cancer can often be safely administered with good maternal and fetal outcomes. Chemotherapy, radiotherapy, and surgery must be adapted to the pregnancy state. Counselling and emotional support are an essential part of management.
Enhanced recovery after surgery in gynecologic oncology
Authors: Glaser Gretchen , Dowdy Sean C. , Peedicayil Abraham
Published: October 2018

Enhanced recovery protocols consist of a bundle of concepts including early feeding, opioid‐sparing multimodal pain management, and euvolemia, with the overarching goal of hastening postoperative recovery. Enhanced recovery after surgery has been shown to reduce hospital length of stay, reduce costs, and decrease perioperative opioid requirements in benign and oncologic gynecologic surgery. Interventions without supporting evidence of benefit, such as the use of mechanical bowel preparation, routine use of nasogastric tubes and surgical drains, caloric restriction, routine use of intravenous opioid analgesics, and over‐vigorous intravenous hydration should be discouraged to improve broader endpoints such as patient satisfaction and overall recovery. Successful implementation requires engagement from a multidisciplinary team including surgeons, anesthesiologists, nurses, and pharmacists.
Anticancer activity of thymol: A literature‐based review and docking study with Emphasis on its anticancer mechanisms
Authors: Islam Muhammad T. , Khalipha Abul B. R. , Bagchi Rajat , Mondal Milon , Smrity Shanita Z. , Uddin Shaikh J. , Shilpi Jamil A. , Rouf Razina
Published: October 2018

This review aims to summarize the anticancer effects of the natural monoterpene phenol derivative of cymenethymol and its derivatives as well as further molecular docking study to correlate the interaction of thymol and biomacromolecules that involved in cancer cell growth. For this, an up‐to‐date (till July 2018) literature study were made through using PubMed, Science Direct, Web of Science, Scopus, The American Chemical Society, Clinicaltrials.gov, and Google Scholar databases. Literature study demonstrated that thymol, melasolv (3,4,5‐Trimethoxycinnamate thymol ester), and Mannich bases of thymol have potential anticancer effects in various test systems, including mice, rats and cultured cancer cells through various anticancer pathways such as antioxidant/oxidative stress induction, apoptosis, anti‐inflammatory/immunomodulatory, anti‐genotoxicity, chemo‐, and radiopreventive ways. A few earlier scientific evidences showed that thymol is less toxic to mammalian systems. In silico study of thymol and its derivatives against 17 essential proteins revealed that 6BVH (PARP‐1) and 5LIH (protein kinase C) are the most efficient receptor protein for interaction and binding of thymol and melaslov for the cancer prevention and initiation. On the basis of the summary of this review and docking study, it is evident that thymol may be one of promising plant‐derived cancer chemotherapeutic agents. © 2018 IUBMB Life, 71(1):9–19, 2019
Porous and nonporous silk fibroin (SF) membranes wrapping for Achilles tendon (AT) repair: Which one is a better choice?
Authors: Yao Shiyi , Xie Yuanlong , Xiao Lingfei , Cai Lin , Ma Zhaocheng
Published: October 2018

Two types of silk fibroin (SF) membranes were developed for tendon repair: porous and nonporous SF membranes. The objective of this study was to compare the efficiency of these two films according to the ability of tendon regeneration using a rat Achilles tendon (AT) rupture suture wrapping model. The in vitro tests were conducted, and theSF membranes were proved to be with ultimate‐biodegradability, good‐biocompatibility and without toxicity. In vivo, 12 Sprague Dawley rats were used to create a rat AT rupture suture model wrapped by SF membranes. They were randomly divided into six groups. The results revealed that the nonporous SF membrane wrapping group was shown to reduce the inflammatory effect and induce the proliferation of fibroblast‐like cells at one week and four weeks post‐operatively. After four weeks, the nonporous SF membrane wrapping group exhibited more organized collagen structures and had increased expression of tendon repair proteins. Hence, our nonporous SF membrane improved the efficacy of tendon regeneration by decreasing inflammatory cells, growing fibroblast‐like cells, and promoting extracellular matrix production. Nonporous SF membrane can, therefore, be regarded as a better functional membrane for tendon repair. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: 00B: 000–000, 2018. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater 107B: 733–740, 2019.
Pytim: A python package for the interfacial analysis of molecular simulations
Authors: Sega Marcello , Hantal György , Fábián Balázs , Jedlovszky Pál
Published: October 2018

Pytim is a versatile python framework for the analysis of interfacial properties in molecular simulations. The code implements several algorithms for the identification of instantaneous interfaces of arbitrary shape, and analysis tools written specifically for the study of interfacial properties, such as intrinsic profiles. The code is written in the python language, and makes use of the numpy and scipy packages to deliver high computational performances. Pytim relies on the MDAnalysis library to analyze the trajectory file formats of popular simulation packages such as gromacs, charmm, namd, lammps or Amber, and can be used to steer OpenMM simulations. Pytim can write information about surfaces and surface atomic layers to vtk, cube, and pdb files for easy visualization. The classes of Pytim can be easily customized and extended to include new interfacial algorithms or analysis tools. The code is available as open source and is free of charge. © 2018 The Authors. Journal of Computational Chemistry published by Wiley Periodicals, Inc
iVI‐TD‐DFT: An iterative vector interaction method for exterior/interior roots of TD‐DFT
Authors: Huang Chao , Liu Wenjian
Published: October 2018

The recently proposed iterative vector interaction (iVI) method for large Hermitian eigenvalue problems (Huang et al., J. Comput. Chem. 2017, 38, 2481) is extended to generalized eigenvalue problems, HC = SCE, with the metric S being either positive definite or not. Although, it works with a fixed‐dimensional search subspace, iVI can converge quickly and monotonically from above to the exact exterior/interior roots. The algorithms are further specialized to nonrelativistic and relativistic time‐dependent density functional theories (TD‐DFT) by taking the orbital Hessian as the metric (i.e., the inverse TD‐DFT eigenvalue problem) and incorporating explicitly the paired structure into the trial vectors. The efficacy of iVI‐TD‐DFT is demonstrated by various examples. © 2018 Wiley Periodicals, Inc.
Investigating detailed mechanism of hydrogen molecules adsorbing on single‐wall carbon nanotubes using fitted force field parameters containing carbon–carbon interactions
Authors: Kong Chui‐Peng , Gao Xin , Jia Ran , Zhang Hong‐Xing
Published: October 2018

The nonbonded and bonded force field parameters for carbon atoms in single‐wall carbon nanotubes (SWNT) are fitted by means of quantum chemistry calculations with considering the periodic boundary conditions. The nonbonded parameters between carbon atoms and hydrogen atoms are fitted as well. All the fitted parameters are verified by comparing to quantum chemistry results and by calculating Young's modulus. Adsorption of Hydrogen molecules are then carried out on a bundle of self‐assembled SWNTs. The adsorption isotherms are consistent to the Freundlich equation. Both hydrogen molecules adsorbed outside and inside the SWNTs are counted. According to our result, hydrogen molecules adsorbed inside the SWNTs are more stable at a relatively high temperature and are playing an important part in total amount of the adsorbed molecules. While C(10,10) have the highest adsorption capacities in most of the temperatures, hydrogen molecules inside C(5,5) are the most stable of all the four kinds of SWNTs. Thus, balancing adsorption capacities and strength of interaction can be important in choosing SWNT for gas adsorption. Besides, we deduct an equation that can describe the relation between hydrogen pressure and amount of SWNTs based on our simulation results. The hydrogen pressure may decrease by adding SWNTs in the system. The fitting method in our system is valid to SWNTs and can be tested in further studies of similar systems. © 2018 Wiley Periodicals, Inc.
Quantum dynamics of vibration–vibration energy transfer for vibrationally excited HF colliding with H2
Authors: Yang Dongzheng , Hu Xixi , Xie Daiqian
Published: October 2018

The rate constants for H2–HF energy transfer processes, especially for those in vibrationally excited states, are very demanding in astrophysics and chemical laser engineering, especially for those in vibrationally excited states. Based on our recent potential energy surface, we used the coupled‐states approximation including the nearest neighboring Coriolis couplings with energy‐based local basis set to perform dynamics calculation for the H2–HF energy transfer system. Rate constants for vibrational transitions (1; 3) → (0; 4), (1; 3) → (2; 2), and (0; 3) → (1; 2) were obtained. For state‐to‐state rate constants, transitions that have no internal angular momentum gap dominate at high temperatures. The vibrational‐resolved rate constant for (1; 3) → (0; 4) initially decreases and then increases with the temperature, while those for (1; 3) → (2; 2), and (0; 3) → (1; 2) transitions monotonically increase. The calculated rate constants are in good agreement with the available experimental results. These dynamical data can be further applied to the numerical simulation of hydrogen fluoride chemical laser. © 2018 Wiley Periodicals, Inc.
Longitudinal pulsatility in arterial occlusion
Authors: Hachem Kamal , Njeim Mario , Abou Diwan Ralph
Published: October 2018

This pictorial essay aims to generate attention and inform sonographers and clinicians by remembering the “longitudinal pulsatility” as an evocative B‐mode echographic sign of arterial occlusion, when the artery exhibits a systolic axial motion instead of its normal radial pulsatility.
Simultaneous determination of savaside A, acteoside, and isoacteoside in rat plasma by UHPLC–MS/MS: Comparative pharmacokinetic and bioavailability characteristics of Monochasma savatieri via different routes of administration
Authors: Feng Bingwei , Song Yonggui , Xu Qiongming , Xu Pengfei , Zeng Qiang , Shan Baixi , Liu Kuangyi , Su Dan
Published: October 2018

Phenylethanoid glycosides are the bioactive components in Monochasma savatieri that primarily contains savaside A, acteoside, and isoacteoside. Pharmacological research has been comprehensive, but there have been few studies on pharmacokinetics, especially about savaside A. An ultra high performance liquid chromatography with tandem mass spectrometry with multiple reaction monitoring mode was developed and validated for the simultaneous determination of the three compounds from M. savatieri. Meanwhile, this method was fully validated and successfully applied to compare the pharmacokinetics and bioavailability following four different routes included intravenous injection, intraperitoneal injection, muscle injection, and oral administration. The results indicated that the three compounds could be rapidly absorbed within 1 h, and the main pharmacokinetic parameters showed significant differences (P < 0.05). The bioavailability of oral administration, intramuscular injection, and intraperitoneal injection did not exceed 0.2, 25, and 10%, respectively. Comparing the bioavailability, it exhibited that acteoside > isoacteoside > savaside A following the four administration routes. Notably, the isomerization position of acteoside and isoacteoside mainly occurred in the liver according to the pharmacokinetics profiles of intraperitoneal and intravenous injection, in addition, isoacteoside exhibited more structural selectivity than acteoside in vivo. It demonstrated that three compounds undergo different processes, mainly affected by the first‐pass effect and their intestinal stability is extremely poor.
Free fatty acid profiling in marine algae extract by LC‐MS/MS and isolation as well as quantification of the ω‐3 fatty acid hexadeca‐4,7,10,13‐tetraenoic acid
Authors: Schlotterbeck Jörg , Kolb Agnes , Lämmerhofer Michael
Published: October 2018

Undaria pinnatifida (Wakame) alga contains high amounts of hexadeca‐4Z,7Z,10Z,13Z‐tetraenoic acid which was reported to decrease the efficiency of cisplatin chemotherapeutics. To obtain a fatty acid enriched extract of this ω‐3 poly‐unsaturated fatty acid as an analytical standard, Wakame was used as source material for its extraction. A two‐step extraction protocol consisting of a liquid‐liquid extraction followed by solid‐phase extraction with 3‐aminopropyl silica in accordance to a normal‐phase elution mode was developed. An ultra high performance liquid chromatography with electrospray ionization tandem mass spectrometry method based on sequential windowed acquisition of all theoretical fragment ion mass spectra allowed a simultaneous comprehensive group selective fatty acids profiling in untargeted manner and quantitative analysis of the targeted fatty acid. Hexadeca‐4Z,7Z,10Z,13Z‐tetraenoic acid was identified using high‐resolution product ion spectra. The quantitative method was based on d5‐deuterated hexadeca‐4Z,7Z,10Z,13Z‐tetraenoic acid which was employed as surrogate calibrant. Preliminary method validation was performed by evaluating detection and quantification limits, linear range, intra‐assay and inter‐day precision. Finally, a concentration of 421.2 ± 14.9 ng/mL (4% CV) of hexadeca‐4Z,7Z,10Z,13Z‐tetraenoic acid was determined in the extract which was further used as analytical standard.