bluuebunny/crossref_metadata_2025 huggingface dataset:
Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks
Authors: Montanari Floriane , Kuhnke Lara , Ter Laak Antonius , Clevert Djork-Arné
Published: December 2019

Simple physico-chemical properties, like logD, solubility, or melting point, can reveal a great deal about how a compound under development might later behave. These data are typically measured for most compounds in drug discovery projects in a medium throughput fashion. Collecting and assembling all the Bayer in-house data related to these properties allowed us to apply powerful machine learning techniques to predict the outcome of those assays for new compounds. In this paper, we report our finding that, especially for predicting physicochemical ADMET endpoints, a multitask graph convolutional approach appears a highly competitive choice. For seven endpoints of interest, we compared the performance of that approach to fully connected neural networks and different single task models. The new model shows increased predictive performance compared to previous modeling methods and will allow early prioritization of compounds even before they are synthesized. In addition, our model follows the generalized solubility equation without being explicitly trained under this constraint.
Phenolic Profile, Antioxidant and Anti-Proliferative Activities of Methanolic Extracts from Asclepias linaria Cav. Leaves
Authors: Sánchez-Gutiérrez José Alejandro , Moreno-Lorenzana Dafné , Álvarez-Bernal Dioselina , Rodríguez-Campos Jacobo , Medina-Medrano José Roberto
Published: December 2019

Asclepias linaria Cav. (Apocynaceae) is a shrubby plant endemic of Mexico which has been used in traditional medicine. However, the bioactive potential of this plant remains unexplored. In this study, the phenolic composition, antioxidant, and cytotoxic activities of A. linaria leaves were determined. In order to estimate the phenolic composition of the leaves, the total phenolic, flavonoid, and condensed tannins contents were determined. Furthermore, the antioxidant activity was measured by the scavenging activity of the 2,2-diphenyl-1-picrylhydrazyl (DPPH•) and 2,2′-azino-bis[3-ethylbenzothiazoline-6-sulphonic acid] (ABTS•+) radicals and the total antioxidant capacity. The phenolic compounds identified in the A. linaria leaves by ultra-performance liquid chromatography coupled to mass spectrometry (UPLC-MS) include phenolic acids, such as p-coumaric and ferulic acid, as well as flavonoids, such as rutin and quercetin. The leaves’ extracts of A. linaria showed a high scavenging activity of DPPH• and ABTS•+ radicals (IC50 0.12 ± 0.001 and 0.51 ± 0.003 µg/mL, respectively), high total antioxidant capacity values (99.77 ± 4.32 mg of ascorbic acid equivalents/g of dry tissue), and had a cytotoxic effect against K562 and HL60 hematologic neoplasia cells lines, but no toxicity towards the normal mononuclear cell line was observed. These results highlight the potential of A. linaria and could be considered as a possible alternative source of anticancer compounds.
Comparison of Stir Bar Sorptive Extraction and Solid Phase Microextraction of Volatile and Semi-Volatile Metabolite Profile of Staphylococcus Aureus
Authors: Berrou Kevin , Dunyach-Remy Catherine , Lavigne Jean-Philippe , Roig Benoit , Cadiere Axelle
Published: December 2019

For the analysis of volatile bacterial compounds, solid phase microextraction (SPME) is currently the most widely used metabolite concentration technique. Recently, the potential of stir bar sorptive extraction (SBSE) for this use has been demonstrated. These two approaches were therefore used in combination with gas-chromatography coupled with mass-spectrometry (GC–MS) for the analysis of volatile and semi-volatile bacterial compounds produced by Staphylococcus aureus. In both cases, SPME and SBSE/headspace sorptive extraction (HSSE) enrichment was carried out in two coating phases. A whole analytical and statistical process was developed to differentiate the metabolites produced from the metabolites consumed. The results obtained with SBSE/HSSE and SPME were compared and showed the recovery of 90% of the compounds by SBSE/HSSE. In addition, we were able to detect the production of 12 volatile/semi-volatile compounds by S. aureus, six of which had never been reported before. The extraction by SBSE/HSSE showed higher concentration capacities and greater sensitivity than SPME concerning bacterial compounds, suggesting that this technique may therefore become the new preferred option for bacterial volatile and semi-volatile compound analysis.
Bacterial Disinfection by CuFe2O4 Nanoparticles Enhanced by NH2OH: A Mechanistic Study
Authors: Gu Yu , Xiao Furen , Luo Liumin , Zhou Xiaoyu , Zhou Xiaodong , Li Jin , Li Zhi
Published: December 2019

Many disinfection technologies have emerged recently in water treatment industry, which are designed to inactivate water pathogens with extraordinary efficiency and minimum side effects and costs. Current disinfection processes, including chlorination, ozonation, UV irradiation, and so on, have their inherent drawbacks, and have been proven ineffective under certain scenarios. Bacterial inactivation by noble metals has been traditionally used, and copper is an ideal candidate as a bactericidal agent owing to its high abundance and low cost. Building on previous findings, we explored the bactericidal efficiency of Cu(I) and attempted to develop it into a novel water disinfection platform. Nanosized copper ferrite was synthesized, and it was reduced by hydroxylamine to form surface bound Cu(I) species. Our results showed that the generated Cu(I) on copper ferrite surface could inactivate E. coli at a much higher efficiency than Cu(II) species. Elevated reactive oxygen species’ content inside the cell primarily accounted for the strong bactericidal role of Cu(I), which may eventually lead to enhanced oxidative stress towards cell membrane, DNA, and functional proteins. The developed platform in this study is promising to be integrated into current water treatment industry.
Tunable Nonlinear Optical Property of MnS Nanoparticles with Different Size and Crystal Form
Authors: Zhang Zhihao , Li Pengchao , Gu Yuzong
Published: December 2019

It is significant to study the reason that semiconductor material has adjustable third-order optical nonlinearity through crystal form and dimensions are changed. αMnS nanoparticles with different crystal forms and sizes were successfully prepared by one-step hydrothermal synthesis method and their size-limited third-order nonlinear optical property was tested by Z-scan technique with 30 ps laser pulses at 532 nm wavelength. Nanoparticles of different crystal forms exhibited different NLO (nonlinear optical) responses. γMnS had stronger NLO response than αMnS because of higher fluorescence quantum yield. Two-photon absorption and the nonlinear refraction are enhanced as size of nanoparticlesreduced. The nanoparticles had maximum NLO susceptibility which was 3.09 × 10−12 esu. Susceptibility of αMnS increased about nine times than that of largest nanoparticles. However, it was reduced when size was further decreased. This trend was explained by the effects of light induced dipole moments. And defects in αMnS nanoparticles also had effect on this nonlinear process. MnS nanoparticles had potential application value in optical limiting and optical modulation.
Pain Severity and Vitamin D Deficiency in IBD Patients
Authors: Frigstad Svein Oskar , Høivik Marte Lie , Jahnsen Jørgen , Cvancarova Milada , Grimstad Tore , Berset Ingrid Prytz , Huppertz-Hauss Gert , Hovde Øistein , Bernklev Tomm , Moum Bjørn , Jelsness-Jørgensen Lars-Petter
Published: December 2019

Background: Pain and vitamin D deficiency are common in inflammatory bowel disease (IBD). Disease activity, fatigue, frequent relapses, prior surgery and psychological factors all seem to influence the experience of pain in IBD. Vitamin D deficiency has been associated with muscle and skeletal pain. This study aimed to determine whether there is an association between vitamin D deficiency and severity of pain in patients with IBD, and to investigate the influence of other socio-demographic and psychological variables on the experience of pain. Methods: Patients with IBD were recruited from nine hospitals in Norway in a multicenter cross-sectional study. The Brief Pain Inventory (BPI) questionnaire was used to measure pain. Disease activity was assessed using clinical disease activity indices, C-reactive protein (CRP) and fecal calprotectin. Regression models were fitted to explore a possible association between 25-hydroxyvitamin D and pain severity. Results: Of 407 patients included in the analyses, 229 (56%) had Crohn’s disease (CD) and 178 (44%) had ulcerative colitis (UC). Vitamin D deficiency was present in half (203/407) of patients. Presence of pain was reported by 76% (309/407). More severe pain was associated with female gender and increased disease activity scores, but not with increased CRP or fecal calprotectin. In CD, patients without prior intra-abdominal surgery reported more severe pain. In multivariate analyses, there was no association between 25-hydroxyvitamin D and pain severity. Conclusions: In this study, no significant association between pain severity and vitamin D deficiency was revealed in patients with IBD.
Caffeine Consumption in Switzerland: Results from the First National Nutrition Survey MenuCH
Authors: Rochat Christèle , Eap Chin B. , Bochud Murielle , Chatelan Angeline
Published: December 2019

Caffeine is a natural psychostimulant with a potentially positive impact on health when consumed in moderation and a negative impact at high dose (>400 mg/day). So far, no study has examined self-reported caffeine consumption in Switzerland. Our objectives were to determine (1) the caffeine consumption per adult, (2) the main sources of caffeine intake in the Swiss diet, and (3) the timing of caffeine consumption during the day. We used data from the 2014–2015 national nutrition survey menuCH (adults aged 18 to 75 years old, n = 2057, weighted n = 4,627,878), consisting of two 24-h dietary recalls. Caffeine content in consumed foods was systematically assessed using laboratory analyses in samples of Swiss caffeinated beverages, information from food composition databases, and estimations from standard recipes. Mean (±SD) daily caffeine consumption per person and percentile 95 were 191 mg/day (±129) and 426 mg/day, respectively. We observed differences in mean caffeine consumption across age groups (18–34 y: 140 mg/day; 50–64 y: 228 mg/day), linguistic regions (German-speaking: 204 mg/day; French-speaking: 170 mg/day, Italian-speaking: 136 mg/day), and smoking status (never smokers: 171 mg/day; current smokers: 228 mg/day). The three main sources of caffeine intake were 1) coffee (83% of total caffeine intake), 2) tea (9%) and 3) soft drinks (4%). Caffeine consumption was highest between 06:00 and 09:00 (29%) and the circadian rhythm slightly differed across linguistic regions and age groups. The mean caffeine consumption in the Swiss adult population was similar to that reported in neighbouring countries.
Adolescent Obesity: Diet Quality, Psychosocial Health, and Cardiometabolic Risk Factors
Authors: Ruiz Lyndsey D. , Zuelch Michelle L. , Dimitratos Sarah M. , Scherr Rachel E.
Published: December 2019

Obesity is a multifaceted chronic condition with several contributing causes, including biological risk factors, socioeconomic status, health literacy, and numerous environmental influences. Of particular concern are the increasing rates of obesity in children and adolescents, as rates of obesity in youth in the United States have tripled within the last three decades. Youth from historically disadvantaged backgrounds tend to have higher rates of obesity compared to other groups. Adolescents often do not meet intake recommendations for certain food groups and nutrients, which may contribute to a heightened risk of obesity. With obesity disproportionately affecting adolescents (ages 12–19 years), negative effects of excess adiposity may be particularly salient during this critical period of development. The presentation of chronic cardiometabolic disease symptoms typically observed in adults, such as hypertension, hyperglycemia, dyslipidemia, and inflammation, are becoming increasingly common in adolescents with obesity. Additionally, there is dynamic interplay between obesity and psychosocial health, as adolescents with obesity may have increased levels of stress, depressive symptoms, and reduced resilience. To reduce and prevent adolescent obesity, the implementation of theory-driven multicomponent school- and community-based interventions have been suggested. These interventions promote knowledge and self-efficacy for healthful practices that have the potential to progress to sustained behavior change.
MgpB Types among Mycoplasma genitalium Strains from Men Who Have Sex with Men in Berlin, Germany, 2016–2018
Authors: Dumke Roger , Rust Marcos , Glaunsinger Tobias
Published: December 2019

Mycoplasma genitalium is a cell wall-less bacterium causing urethritis and other sexually transmitted diseases. Despite a strongly conserved genome, strains in clinical samples can be typed by different methods. To obtain data from the risk population of men having sex with men, we analyzed the typing region in the gene coding for the MgpB adhesin of M. genitalium first in 163 and 45 follow-up samples among patients of two specialized practices in Berlin, Germany. Strains belong to 43 different mgpB types emphasizing the diversity of the genome region. With respect to 133 types previously described, 27 new types were found. However, the majority of strains (64.4%) were assigned to types 4, 6, 113, and 108, respectively. A correlation between mgpB type and the occurrence of mutations associated with macrolide and quinolone resistance was not demonstrated. Investigation of follow-up samples from 35 patients confirmed the same mgpB and, additionally, MG_309 types in 25 cases. In 10 cases, differences between types in subsequent samples indicated an infection with a genetically different strain in the period between samplings. MgpB/MG_309 typing is a useful method to compare M. genitalium strains in samples of individual patients as well as those circulating in different populations
Bactericidal Effect of Clove Oil against Multidrug-Resistant Streptococcus suis Isolated from Human Patients and Slaughtered Pigs
Authors: Wongsawan Kanruethai , Chaisri Wasana , Tangtrongsup Sahatchai , Mektrirat Raktham
Published: December 2019

Streptococcus suis is a zoonotic pathogen that is currently considered an emerging multidrug-resistant (MDR). Increasing antibiotic resistance can lead to the unsuccessful treatment of S. suis infection. Recently, many investigations of medicinal plants were conducted for the treatment of infection as a result of the increase of antibiotic-resistant bacteria. The aims of this study were to determine the chemical composition of essential oil from Syzygium aromaticum (L.) Merr. & L.M. Perry and the antibacterial activities of clove oil on MDR S. suis. Using gas chromatography coupled to a mass spectrometer, eugenol (97.76%) was found to be the major active ingredient of clove oil. In vitro antibacterial activities of clove oil against MDR S. suis were evaluated. Using the agar disc diffusion test, the clove oil showed a maximum zone of inhibition at 15% (v/v) oil concentration. In a broth microdilution method, the minimum bactericidal concentration of clove oil against all MDR S. suis isolates was 0.1% (v/v). A time-kill analysis was performed, and the killing kinetics of clove oil showed that MDR S. suis was completely reduced after 15 min of exposure to clove oil. In addition, clove oil exhibited a strong antibacterial activity at all pH values applied following incubation of MDR S. suis in pH-adjusted media with clove oil. Moreover, scanning electron microscopy revealed the nonviable S. suis isolates clearly showed atypical form and cell membrane lysis after incubation with clove oil. This study confirms the efficacy of clove oil as a natural antimicrobial against MDR S. suis and suggests the possibility of employing it as a promising alternative product for control of infectious diseases caused by S. suis in animal and human patients.
Correction: Chantasart et al. “Structure Enhancement Relationship of Chemical Penetration Enhancers in Drug Transport across the Stratum Corneum” Pharmaceutics 2012, 4, 71–92
Authors: Chantasart Doungdaw , Li S. Kevin
Published: December 2019

The authors wish to make the following corrections to their paper [...]
Recent Development of Electrospinning for Drug Delivery
Authors: Zelkó Romána , Lamprou Dimitrios A. , Sebe István
Published: December 2019

Electrospinning is one of the most widely used techniques for the fabrication of nano/microparticles and nano/microfibers, induced by a high voltage applied to the drug-loaded solution [...]
Satureja montana L. Essential Oils: Chemical Profiles/Phytochemical Screening, Antimicrobial Activity and O/W NanoEmulsion Formulations
Authors: Maccelli Alessandro , Vitanza Luca , Imbriano Anna , Fraschetti Caterina , Filippi Antonello , Goldoni Paola , Maurizi Linda , Ammendolia Maria Grazia , Crestoni Maria Elisa , Fornarini Simonetta , Menghini Luigi , Carafa Maria , Marianecci Carlotta , Longhi Catia , Rinaldi Federica
Published: December 2019

Chemical fingerprints of four different Satureja montana L. essential oils (SEOs) were assayed by an untargeted metabolomics approach based on Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) coupled with either electrospray ionization or atmospheric pressure chemical ionization ion sources. Analysis and relative quantification of the non-polar volatile fraction were conducted by gas chromatography (GC) coupled to MS. FT-ICR MS confirmed significant differences in the polar metabolite composition, while GC-MS analyses confirmed slight fluctuations in the relative amount of major terpenes and terpenoids, known to play a key role in antimicrobial mechanisms. Oil in eater (O/W) nanoemulsions (NEs) composed by SEOs and Tween 20 or Tween 80 were prepared and analyzed in terms of hydrodynamic diameter, ζ-potential and polydispersity index. The results confirm the formation of stable NEs homogeneous in size. Minimum inhibitory and minimum bactericidal concentrations of SEOs were determined towards Gram-positive (Listeria monocytogenes, Staphylococcus aureus, Staphylococcus haemolyticus) and Gram-negative clinical isolates (Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Serratia marcescens). Commercial SEO showed strongest antibacterial activity, while SEO 3 was found to be the most active among the lab made extractions. MIC and MBC values ranged from 0.39 to 6.25 mg·mL−1. Furthermore, a SEO structured in NEs formulation was able to preserve and improve antimicrobial activity.
Anticancer Effect of Metformin in Herceptin-Conjugated Liposome for Breast Cancer
Authors: Lee Ji-Yeon , Shin Dae Hwan , Kim Jin-Seok
Published: December 2019

Metformin (MET) is an anti-diabetic drug effective against breast cancer, targeting breast cancer stem cells (BCSCs). MET-encapsulating liposome (LP-MET) and Herceptin-conjugated LP-MET (Her-LP-MET) were evaluated for their anti-cancer effect in vitro and in vivo. Size and zeta potentials of LP-MET and Her-LP-MET were suitable for enhanced permeability and retention effects. Her-LP-MET yielded greater inhibition of BCSC proliferation in vitro than free MET or LP-MET, as well as a dose-dependent long-term anti-proliferation effect. Further, the anti-migration effect of Her-LP-MET on BCSCs was superior to that of MET or LP-MET, and was enhanced when used in concert with doxorubicin (DOX). In a mouse model, Her-LP-MET combined with free DOX was more effective than free MET, free DOX, or Her-LP-MET. Moreover, Her-LP-MET combined with free DOX yielded tumor remission, whereas free DOX alone resulted in metastasis or death. As such, Her-LP-MET formulation is expected to provide a new therapeutic modality targeting BCSCs.
Ionic Liquid Forms of the Antimalarial Lumefantrine in Combination with LFCS Type IIIB Lipid-Based Formulations Preferentially Increase Lipid Solubility, In Vitro Solubilization Behavior and In Vivo Exposure
Authors: Tay Erin , Nguyen Tri-Hung , Ford Leigh , Williams Hywel D. , Benameur Hassan , Scammells Peter J. , Porter Christopher J. H.
Published: December 2019

Lipid based formulations (LBFs) are commonly employed to enhance the absorption of highly lipophilic, poorly water-soluble drugs. However, the utility of LBFs can be limited by low drug solubility in the formulation. Isolation of ionizable drugs as low melting, lipophilic salts or ionic liquids (ILs) provides one means to enhance drug solubility in LBFs. However, whether different ILs benefit from formulation in different LBFs is largely unknown. In the current studies, lumefantrine was isolated as a number of different lipophilic salt/ionic liquid forms and performance was assessed after formulation in a range of LBFs. The solubility of lumefantrine in LBF was enhanced 2- to 80-fold by isolation as the lumefantrine docusate IL when compared to lumefantrine free base. The increase in drug loading subsequently enhanced concentrations in the aqueous phase of model intestinal fluids during in vitro dispersion and digestion testing of the LBF. To assess in vivo performance, the systemic exposure of lumefantrine docusate after administration in Type II-MCF, IIIB-MCF, IIIB-LCF, and IV formulations was evaluated after oral administration to rats. In vivo exposure was compared to control lipid and aqueous suspension formulations of lumefantrine free base. Lumefantrine docusate in the Type IIIB-LCF showed significantly higher plasma exposure compared to all other formulations (up to 35-fold higher). The data suggest that isolation of a lipid-soluble IL, coupled with an appropriate formulation, is a viable means to increase drug dose in an oral formulation and to enhance exposure of lumefantrine in vivo.
Atom-Field Interaction: From Vacuum Fluctuations to Quantum Radiation and Quantum Dissipation or Radiation Reaction
Authors: Hsiang Jen-Tsung , Hu B. L.
Published: December 2019

In this paper, we dwell on three issues: (1) revisit the relation between vacuum fluctuations and radiation reaction in atom-field interactions, an old issue that began in the 1970s and settled in the 1990s with its resolution recorded in monographs; (2) the fluctuation–dissipation relation (FDR) of the system, pointing out the differences between the conventional form in linear response theory (LRT) assuming ultra-weak coupling between the system and the bath, and the FDR in an equilibrated final state, relaxed from the nonequilibrium evolution of an open quantum system; (3) quantum radiation from an atom interacting with a quantum field: We begin with vacuum fluctuations in the field acting on the internal degrees of freedom (idf) of an atom, adding to its dynamics a stochastic component which engenders quantum radiation whose backreaction causes quantum dissipation in the idf of the atom. We show explicitly how different terms representing these processes appear in the equations of motion. Then, using the example of a stationary atom, we show how the absence of radiation in this simple cases is a result of complex cancellations, at a far away observation point, of the interference between emitted radiation from the atom and the local fluctuations in the free field. In so doing we point out in Issue 1 that the entity which enters into the duality relation with vacuum fluctuations is not radiation reaction, which can exist as a classical entity, but quantum dissipation. Finally, regarding issue 2, we point out for systems with many atoms, the co-existence of a set of correlation-propagation relations (CPRs) describing how the correlations between the atoms are related to the propagation of their (retarded non-Markovian) mutual influence manifesting in the quantum field. The CPR is absolutely crucial in keeping the balance of energy flows between the constituents of the system, and between the system and its environment. Without the consideration of this additional relation in tether with the FDR, dynamical self-consistency cannot be sustained. A combination of these two sets of relations forms a generalized matrix FDR relation that captures the physical essence of the interaction between an atom and a quantum field at arbitrary coupling strength.
Diallel Analysis of Chilli Pepper (Capsicum annuum L.) Genotypes for Morphological and Fruit Biochemical Traits
Authors: C. S. Aiswarya , S Vijeth , I Sreelathakumary , Kaushik Prashant
Published: December 2019

Chilli pepper is commercially cultivated as a spice and is also used for the extraction of a colouring agent. Here, we performed a diallel genetic study involving five chilli pepper varieties. Parents and their hybrid were evaluated for fifteen morphological and five biochemical traits over two crop seasons under open field conditions. Variation was recorded for all of the studied traits. Similarly, significant values for general combining ability (GCA) and specific combining ability (SCA) variance were obtained for all of the traits. The ratio of σ2 SCA/σ2 GCA indicates that non-additive gene effects were predominant for all the studied traits except for fruits plant−1. Based on SCA effects, cross combinations P2 × P5, and P4 × P5 were determined excellent for flesh thickness, yield components and vitamin C. These hybrids are recommended for multilocation testing to assess their suitability for commercial cultivation. Overall, this work presents useful information regarding the genetics of important morphological and biochemical traits in chilli pepper.
The Role of Plant-Associated Microbes in Mediating Host-Plant Selection by Insect Herbivores
Authors: Grunseich John M. , Thompson Morgan N. , Aguirre Natalie M. , Helms Anjel M.
Published: December 2019

There is increasing evidence that plant-associated microorganisms play important roles in shaping interactions between plants and insect herbivores. Studies of both pathogenic and beneficial plant microbes have documented wide-ranging effects on herbivore behavior and performance. Some studies, for example, have reported enhanced insect-repellent traits or reduced performance of herbivores on microbe-associated plants, while others have documented increased herbivore attraction or performance. Insect herbivores frequently rely on plant cues during foraging and oviposition, suggesting that plant-associated microbes affecting these cues can indirectly influence herbivore preference. We review and synthesize recent literature to provide new insights into the ways pathogenic and beneficial plant-associated microbes alter visual, olfactory, and gustatory cues of plants that affect host-plant selection by insect herbivores. We discuss the underlying mechanisms, ecological implications, and future directions for studies of plant-microbial symbionts that indirectly influence herbivore behavior by altering plant traits.
Abamectin Efficacy on the Potato Cyst Nematode Globodera pallida
Authors: Sasanelli Nicola , Toderas Ion , Veronico Pasqua , Iurcu-Straistaru Elena , Rusu Stefan , Melillo Maria Teresa , Caboni Pierluigi
Published: December 2019

The potato cyst nematode Globodera pallida is a major pest of the potato crop. Abamectin is a biological pesticide showing high nematicide activity, but its efficacy to control G. pallida has not been investigated to date. In this study, combination of different abamectin concentrations ranging from 1.125 to 36 µg/mL x exposure times from 24 to 384 h were tested on the nematode in a hatching test. Abamectin induced mortality with LD50 value in the range of 13.23 (after 24 h) to 2.90 µg/mL (after 384 h). A glasshouse experiment was also performed in pots filled with soil infected with G. pallida in the presence of sprouted potato tubers cultivar “Spunta”. Abamectin at 4.5, 9.0, 18.0 and 36.0 µg/mL was used in comparison with nematicide fosthiazate. The doses of 18 and 36 µg/mL significantly reduced number of eggs, juveniles, cyst/g soil and reproduction rate in comparison to both untreated control and fosthiazate treatment. Soil applications of abamectin provided significant G. pallida control with LD50 and LD99.9 of 14.4 and 131.3 µg/mL, respectively. These results indicate the efficacy of abamectin to control G. pallida on potato crops and its potential use in organic agriculture or in an integrated pest management program.
White Graphene-Cobalt Oxide Hybrid Filler Reinforced Polystyrene Nanofibers for Selective Oil Absorption
Authors: Ponnamma Deepalekshmi , S Nair Sabari , Parangusan Hemalatha , K. Hassan Mohammad , Adham Samer , Karim Alamgir , Al Ali Al-Maadeed Mariam
Published: December 2019

In this work, stable hydrophobic nanocomposites are made from electrospun fibers of polystyrene (PS) containing a hybrid filler combination of (i) hexagonal boron nitride (hBN) and (ii) cobalt oxide (Co3O4) nanomaterials. Good synergistic interaction is observed between the nanomaterials, since the growth of Co3O4 was carried out in presence of white graphene nanosheets. Filler synergy modifies the PS surfaces, by enhancing the filler-polymer interfacial interactions and provides good tensile strength. The hydrophobic films are gamma irradiated to improve crosslinking within the polymer nanocomposites. Since gamma irradiation enhances the surface roughness, its hydrophobicity/oleophilicity increases much and the final nanofibers show good oil-water separation efficiency. The nanofibers act as sponge clothing to skim the oil from a mixture of oil and water. Durability of the fibers in hot water and in presence of ultrasonic waves is also tested and good response is achieved. Contact angle studies are performed to investigate the surface properties and to check the influence of gamma irradiation on the surface wettability. The gamma-irradiated PS nanocomposite fiber shows a contact angle of 152° ± 2° compared to the 140° ± 1° of the neat PS fiber, evidencing the superhydrophobicity. Both the effects of crosslink density enhancement and hybrid filler distribution make the composite fibers stronger in oil absorption application even at higher operation temperatures. The fibers are reported to be robust and durable, in addition.
Tuning the Density of Zwitterionic Polymer Brushes on PET Fabrics by Aminolysis: Effect on Antifouling Performances
Authors: Lorusso Emanuela , Ali Wael , Leniart Michael , Gebert Beate , Oberthür Markus , Gutmann Jochen S.
Published: December 2019

Here, we synthesize zwitterionic polymer brushes on polyester fabrics by atom transfer radical polymerization (ATRP) after a prefunctionalization step involving an aminolysis reaction with ethylenediamine. Aminolysis is an easy method to achieve homogeneous distributions of functional groups on polyester fibers (PET) fabrics. Varying the polymerization time and the prefunctionalization conditions of the reaction, it is possible to tune the amount of water retained over the surface and study its effect on protein adhesion. This study revealed that the polymerization time plays a major role in preventing protein adhesion on the PET surface.
Review on Blueprint of Designing Anti-Wetting Polymeric Membrane Surfaces for Enhanced Membrane Distillation Performance
Authors: Sinha Ray Saikat , Lee Hyung-Kae , Kwon Young-Nam
Published: December 2019

Recently, membrane distillation (MD) has emerged as a versatile technology for treating saline water and industrial wastewater. However, the long-term use of MD wets the polymeric membrane and prevents the membrane from working as a semi-permeable barrier. Currently, the concept of antiwetting interfaces has been utilized for reducing the wetting issue of MD. This review paper discusses the fundamentals and roles of surface energy and hierarchical structures on both the hydrophobic characteristics and wetting tolerance of MD membranes. Designing stable antiwetting interfaces with their basic working principle is illustrated with high scientific discussions. The capability of antiwetting surfaces in terms of their self-cleaning properties has also been demonstrated. This comprehensive review paper can be utilized as the fundamental basis for developing antiwetting surfaces to minimize fouling, as well as the wetting issue in the MD process.
Understanding TiN Precipitation Behavior during Solidification of SWRH 92A Tire Cord Steel by Selected Thermodynamic Models
Authors: Wang Lu , Xue Zheng-Liang , Chen Yi-Liang , Bi Xue-Gong
Published: December 2019

Tire cord steel is widely used in the tire production process of the vehicle manufacturing industry due to its excellent strength and toughness. Titanium nitride (TiN) inclusion, existing in tire rod, has a seriously detrimental effect on the fatigue and drawing performances of the tire steel. In order to control its amount and morphology, the precipitation behavior of TiN during solidification in SWRH 92A tire cord steel was analyzed by selected thermodynamic models. The calculated results showed that TiN cannot precipitate in the liquid phase region regardless of the selected models. However, the precipitation of TiN in the mushy zone would occur at the final stage during the solidification process (at solid fractions greater than 0.98) if the LRSM (Lever-rule model was applied for the N and Scheil model for Ti) or Ohnaka models (without considering the effect of carbon on secondary dendrite arm spacing (SDAS)) were adopted. For the Ohnaka model, in the case when the effect of carbon on SDAS was considered, TiN would probably precipitate in the solid phase zone rather than precipitate in the liquid phase region or mushy zone.
Hydrothermal Liquefaction of Microalga Using Metal Oxide Catalyst
Authors: Sánchez-Bayo Alejandra , Rodríguez Rosalía , Morales Victoria , Nasirian Nima , Bautista Luis Fernando , Vicente Gemma
Published: December 2019

The yield and composition of the biocrude obtained by hydrothermal liquefaction (HTL) of Nannocloropsis gaditana using heterogeneous catalysts were evaluated. The catalysts were based on metal oxides (CaO, CeO2, La2O3, MnO2, and Al2O3). The reactions were performed in a batch autoclave reactor at 320 °C for 10 min with a 1:10 (wt/wt) microalga:water ratio. These catalysts increased the yield of the liquefaction phase (from 94.14 ± 0.30 wt% for La2O3 to 99.49 ± 0.11 wt% for MnO2) as compared with the thermal reaction (92.60 ± 1.20 wt%). Consequently, the biocrude yields also raised in the metal oxides catalysed HTL, showing values remarkably higher for the CaO (49.73 ± 0.9 wt%) in comparison to the HTL without catalyst (42.60 ± 0.70 wt%). The N and O content of the biocrude obtained from non-catalytic HTL were 6.11 ± 0.02 wt% and 10.50 ± 0.50 wt%, respectively. In this sense, the use of the metal oxides decreased the N content of the biocrude (4.62 ± 0.15–5.45 ± 0.11 wt%), although, they kept constant or increased its O content (11.39 ± 2.06–21.68 ± 0.03 wt%). This study shows that CaO, CeO2 and Al2O3 can be promising catalysts based on the remarkable amount of biocrude, the highest values of C, H, heating value, energy recovery, and the lowest content of N, O and S.
Porous Aromatic Melamine Schiff Bases as Highly Efficient Media for Carbon Dioxide Storage
Authors: Omer Raghad M. , Al-Tikrity Emaad T. B. , El-Hiti Gamal A. , Alotibi Mohammed F. , Ahmed Dina S. , Yousif Emad
Published: December 2019

High energy demand has led to excessive fuel consumption and high-concentration CO2 production. CO2 release causes serious environmental problems such as the rise in the Earth’s temperature, leading to global warming. Thus, chemical industries are under severe pressure to provide a solution to the problems associated with fuel consumption and to reduce CO2 emission at the source. To this effect, herein, four highly porous aromatic Schiff bases derived from melamine were investigated as potential media for CO2 capture. Since these Schiff bases are highly aromatic, porous, and have a high content of heteroatoms (nitrogen and oxygen), they can serve as CO2 storage media. The surface morphology of the Schiff bases was investigated through field emission scanning electron microscopy, and their physical properties were determined by gas adsorption experiments. The Schiff bases had a pore volume of 0.005–0.036 cm3/g, an average pore diameter of 1.69–3.363 nm, and a small Brunauer–Emmett–Teller surface area (5.2–11.6 m2/g). The Schiff bases showed remarkable CO2 uptake (up to 2.33 mmol/g; 10.0 wt%) at 323 K and 40 bars. The Schiff base containing the 4-nitrophenyl substituent was the most efficient medium for CO2 adsorption and, therefore, can be used as a gas sorbent.
Nitridation Reaction of Titanium Powders by 2.45 GHz Multimode Microwave Irradiation using a SiC Susceptor in Atmospheric Conditions
Authors: Fukushima Jun , Kashimura Keiichiro , Takizawa Hirotsugu
Published: December 2019

A titanium nitride (TiN) coating using microwaves can be accomplished in air, and satisfies the required conditions of an on-demand TiN coating process. However, the coating mechanism using microwaves is not completely clear. In this study, to understand the detailed mechanism of microwave titanium nitridation in air, the quantity of nitrogen and oxygen in reacted TiN powder has been investigated by an inert melting method. Titanium powders were irradiated with microwaves by a multi-mode type 2.45 GHz microwave irradiation apparatus, while also being held at various temperatures for two different dwell times. X-ray diffraction (XRD) results revealed that nitridation of the powder progressed with increasing process temperature, and the nitridation corresponds to the powder color after microwave irradiation. The nitrogen contents of the samples increased with increasing processing temperature and dwell time, unlike oxygen. It is postulated that the reaction of convected air with titanium is a key role to control nitridation in this system.
New Money-Making Tactic by Predatory Publishers
Authors: Sorooshian Shahryar
Published: December 2019

This letter is an inquiry into the money-making by predatory publishers. The author discusses new tactics adopted by a few unprofessional publishers to abuse their authors’ trust and make money. To overcome the publication misconduct, the author closes this letter with an alarm for the scientific community to be aware of the new tactics that predatory publishers are using.
Comparing Deep Learning and Shallow Learning for Large-Scale Wetland Classification in Alberta, Canada
Authors: DeLancey Evan R. , Simms John F. , Mahdianpari Masoud , Brisco Brian , Mahoney Craig , Kariyeva Jahan
Published: December 2019

Advances in machine learning have changed many fields of study and it has also drawn attention in a variety of remote sensing applications. In particular, deep convolutional neural networks (CNNs) have proven very useful in fields such as image recognition; however, the use of CNNs in large-scale remote sensing landcover classifications still needs further investigation. We set out to test CNN-based landcover classification against a more conventional XGBoost shallow learning algorithm for mapping a notoriously difficult group of landcover classes, wetland class as defined by the Canadian Wetland Classification System. We developed two wetland inventory style products for a large (397,958 km2) area in the Boreal Forest region of Alberta, Canada, using Sentinel-1, Sentinel-2, and ALOS DEM data acquired in Google Earth Engine. We then tested the accuracy of these two products against three validation data sets (two photo-interpreted and one field). The CNN-generated wetland product proved to be more accurate than the shallow learning XGBoost wetland product by 5%. The overall accuracy of the CNN product was 80.2% with a mean F1-score of 0.58. We believe that CNNs are better able to capture natural complexities within wetland classes, and thus may be very useful for complex landcover classifications. Overall, this CNN framework shows great promise for generating large-scale wetland inventory data and may prove useful for other landcover mapping applications.
Forest and Land Fires Are Mainly Associated with Deforestation in Riau Province, Indonesia
Authors: Adrianto Hari A. , Spracklen Dominick V. , Arnold Stephen R. , Sitanggang Imas S. , Syaufina Lailan
Published: December 2019

Indonesia has experienced extensive land-cover change and frequent vegetation and land fires in the past few decades. We combined a new land-cover dataset with satellite data on the timing and location of fires to make the first detailed assessment of the association of fire with specific land-cover transitions in Riau, Sumatra. During 1990 to 2017, secondary peat swamp forest declined in area from 40,000 to 10,000 km2 and plantations (including oil palm) increased from around 10,000 to 40,000 km2. The dominant land use transitions were secondary peat swamp forest converting directly to plantation, or first to shrub and then to plantation. During 2001–2017, we find that the frequency of fire is greatest in regions that change land-cover, with the greatest frequency in regions that transition from secondary peat swamp forest to shrub or plantation (0.15 km−2 yr−1). Areas that did not change land cover exhibit lower fire frequency, with shrub (0.06 km−2 yr−1) exhibiting a frequency of fire >60 times the frequency of fire in primary forest. Our analysis demonstrates that in Riau, fire is closely connected to land-cover change, and that the majority of fire is associated with the transition of secondary forest to shrub and plantation. Reducing the frequency of fire in Riau will require enhanced protection of secondary forests and restoration of shrub to natural forest.
Three Decades of Coastal Changes in Sindh, Pakistan (1989–2018): A Geospatial Assessment
Authors: Kanwal Shamsa , Ding Xiaoli , Sajjad Muhammad , Abbas Sawaid
Published: December 2019

Coastal erosion endangers millions living near-shore and puts coastal infrastructure at risk, particularly in low-lying deltaic coasts of developing nations. This study focuses on morphological changes along the ~320-km-long Sindh coastline of Pakistan over past three decades. In this study, the Landsat images from 1989 to 2018 at an interval of 10 years are used to analyze the state of coastline erosion. For this purpose, well-known statistical approaches such as end point rate (EPR), least median of squares (LMS), and linear regression rate (LRR) are used to calculate the rates of coastline change. We analyze the erosion trend along with the underlying controlling variables of coastal change. Results show that most areas along the coastline have experienced noteworthy erosion during the study period. It is found that Karachi coastline experienced 2.43 ± 0.45 m/yr of erosion and 8.34 ± 0.45 m/yr of accretion, while erosion on the western and eastern sides of Indus River reached 12.5 ± 0.55 and 19.96 ± 0.65 m/yr on average, respectively. Coastal erosion is widespread along the entire coastline. However, the rate of erosion varies across the study area with a general trend of erosion increasing from west to east in the Indus Delta region (IDR), and the highest average erosion rate is 27.46 m/yr. The interdecadal change during 1989–1999, 1999–2009 and 2009–2018 periods depicted an increasing linear trend (R2 = 0.78) from Karachi to Indus River (IR) East zone. The spatial trend from west to east is positively correlated with mean sea level rise, which has increased from 1.1 to 1.9 mm/year, and negatively correlated with topographic slope, which is found to be decreasing eastward along the coastline. The findings necessitate appropriate actions and have important implications to better manage coastal areas in Pakistan in the wake of global climate change.
Assimilation of Satellite Salinity for Modelling the Congo River Plume
Authors: Phillipson Luke , Toumi Ralf
Published: December 2019

Satellite salinity data from the Soil Moisture and Ocean Salinity (SMOS) mission was recently enhanced, increasing the spatial extent near the coast that eluded earlier versions. In a pilot attempt we assimilate this data into a coastal ocean model (ROMS) using variational assimilation and, for the first time, investigate the impact on the simulation of a major river plume (the Congo River). Four experiments were undertaken consisting of a control (without data assimilation) and the assimilation of either sea surface height (SSH), SMOS and the combination of both, SMOS SSH. Several metrics specific to the plume were utilised, including the area of the plume, distance to the centre of mass, orientation and average salinity. The assimilation of SMOS and combined SMOS SSH consistently produced the best results in the plume analysis. Argo float salinity profiles provided independent verification of the forecast. The SMOS or SMOS SSH forecast produced the closest agreement for Argo profiles over the whole domain (outside and inside the plume) for three of four months analysed, improving over the control and a persistence baseline. The number of samples of Argo floats determined to be inside the plume were limited. Nevertheless, for the limited plume-detected floats the largest improvements were found for the SMOS or SMOS SSH forecast for two of the four months.
A Transformed Triangular Vegetation Index for Estimating Winter Wheat Leaf Area Index
Authors: Xing Naichen , Huang Wenjiang , Xie Qiaoyun , Shi Yue , Ye Huichun , Dong Yingying , Wu Mingquan , Sun Gang , Jiao Quanjun
Published: December 2019

Leaf area index (LAI) is a key parameter in plant growth monitoring. For several decades, vegetation indices-based empirical method has been widely-accepted in LAI retrieval. A growing number of spectral indices have been proposed to tailor LAI estimations, however, saturation effect has long been an obstacle. In this paper, we classify the selected 14 vegetation indices into five groups according to their characteristics. In this study, we proposed a new index for LAI retrieval-transformed triangular vegetation index (TTVI), which replaces NIR and red bands of triangular vegetation index (TVI) into NIR and red-edge bands. All fifteen indices were calculated and analyzed with both hyperspectral and multispectral data. Best-fit models and k-fold cross-validation were conducted. The results showed that TTVI performed the best predictive power of LAI for both hyperspectral and multispectral data, and mitigated the saturation effect. The R2 and RMSE values were 0.60, 1.12; 0.59, 1.15, respectively. Besides, TTVI showed high estimation accuracy for sparse (LAI < 4) and dense canopies (LAI > 4). Our study provided the value of the Red-edge bands of the Sentinel-2 satellite sensors in crop LAI retrieval, and demonstrated that the new index TTVI is applicable to inverse LAI for both low-to-moderate and moderate-to-high vegetation cover.