bluuebunny/crossref_metadata_2025 huggingface dataset:
Regulation of Chitin-Dependent Growth and Natural Competence in Vibrio parahaemolyticus
Authors: Debnath Anusuya , Mizuno Tamaki , Miyoshi Shin-ichi
Published: August 2020

Vibrios can degrade chitin surfaces to soluble N-acetyl glucosamine oligosaccharides (GlcNAcn) that can be utilized as a carbon source and also induce a state of natural genetic competence. In this study, we characterized chitin-dependent growth and natural competence in Vibrio parahaemolyticus and its regulation. We found that growth on chitin was regulated through chitin sensors ChiS (sensor histidine kinase) and TfoS (transmembrane transcriptional regulator) by predominantly controlling the expression of chitinase VPA0055 (ChiA2) in a TfoX-dependent manner. The reduced growth of ΔchiA2, ΔchiS and ΔtfoS mutants highlighted the critical role played by ChiA2 in chitin breakdown. This growth defect of ΔchiA2 mutant could be recovered when chitin oligosaccharides GlcNAc2 or GlcNAc6 were supplied instead of chitin. The ΔtfoS mutant was also able to grow on GlcNAc2 but the ΔchiS mutant could not, which indicates that GlcNAc2 catabolic operon is dependent on ChiS and independent of TfoS. However, the ΔtfoS mutant was unable to utilize GlcNAc6 because the periplasmic enzymes required for the breakdown of GlcNAc6 were found to be downregulated at the mRNA level. We also showed that natural competence can be induced only by GlcNAc6, not GlcNAc2, because the expression of competence genes was significantly higher in the presence of GlcNAc6 compared to GlcNAc2. Moreover, this might be an indication that GlcNAc2 and GlcNAc6 were detected by different receptors. Therefore, we speculate that GlcNAc2-dependent activation of ChiS and GlcNAc6-dependent activation of TfoS might be crucial for the induction of natural competence in V. parahaemolyticus through the upregulation of the master competence regulator TfoX.
Leaching Kinetics and Mechanism of Laterite with NH4Cl-HCl Solution
Authors: Li Jinhui , Yang Yang , Wen Yaoru , Liu Wenxin , Chu Yuhang , Wang Ruixiang , Xu Zhifeng
Published: August 2020

Following the growing demand for Ni and Co and the dwindling supplies of sulfide nickel ore, attention has turned toward the more efficient exploitation and utilization of laterite ore. Using ammonium chloride acid solution to leach is an effective method. Our research concerned investigations on the leaching mechanism and leaching kinetics of laterite. XRD was used to demonstrate the leaching mechanism through analysis of the pattern of the leaching residue and raw ore, showing that acid concentration affects the leaching process more significantly than other factors, and that valuable metals are mainly released from goethite and serpentine. The leaching order of these materials are as follows: Goethite > serpentine > magnetite and hematite. The leaching kinetics were analyzed and this leaching process followed a shrinking core model controlled by a combination of interfacial transfer and diffusion across the solid film. Leaching data fitted to the kinetic equation perfectly, and the apparent activation energies for the leaching of nickel, cobalt, and iron were calculated to be 4.01 kJ/mol, 3.43 kJ/mol, and 1.87 kJ/mol, respectively. The Arrhenius constants for Ni, Co, and Fe were 204.38, 16.65, and 7.12 × 10−3, respectively, with reaction orders of Ni (a 1.32, b 0.85, c 1.53), Co (a 1.74, b 1.12, c 1.22), and Fe (a 2.52, b −0.11, c 0.94).
Ethnopharmacology of Fruit Plants: A Literature Review on the Toxicological, Phytochemical, Cultural Aspects, and a Mechanistic Approach to the Pharmacological Effects of Four Widely Used Species
Authors: de Carvalho Aline T. , Paes Marina M. , Cunha Mila S. , Brandão Gustavo C. , Mapeli Ana M. , Rescia Vanessa C. , Oesterreich Silvia A. , Villas-Boas Gustavo R.
Published: August 2020

Fruit plants have been widely used by the population as a source of food, income and in the treatment of various diseases due to their nutritional and pharmacological properties. The aim of this study was to review information from the most current research about the phytochemical composition, biological and toxicological properties of four fruit species widely used by the world population in order to support the safe medicinal use of these species and encourage further studies on their therapeutic properties. The reviewed species are: Talisia esculenta, Brosimum gaudichaudii, Genipa americana, and Bromelia antiacantha. The review presents the botanical description of these species, their geographical distribution, forms of use in popular medicine, phytochemical studies and molecules isolated from different plant organs. The description of the pharmacological mechanism of action of secondary metabolites isolated from these species was detailed and toxicity studies related to them were reviewed. The present study demonstrates the significant concentration of phenolic compounds in these species and their anti-inflammatory, anti-tumor, photosensitizing properties, among others. Such species provide important molecules with pharmacological activity that serve as raw materials for the development of new drugs, making further studies necessary to elucidate mechanisms of action not yet understood and prove the safety for use in humans.
Zerumbone-Induced Analgesia Modulated via Potassium Channels and Opioid Receptors in Chronic Constriction Injury-Induced Neuropathic Pain
Authors: Gopalsamy Banulata , Chia Jasmine Siew Min , Farouk Ahmad Akira Omar , Sulaiman Mohd Roslan , Perimal Enoch Kumar
Published: August 2020

Zerumbone, a monocyclic sesquiterpene from the wild ginger plant Zingiber zerumbet (L.) Smith, attenuates allodynia and hyperalgesia. Currently, its mechanisms of action in neuropathic pain conditions remain unclear. This study examines the involvement of potassium channels and opioid receptors in zerumbone-induced analgesia in a chronic constriction injury (CCI) neuropathic pain mice model. Male Institute of Cancer Research (ICR) mice were subjected to CCI and behavioral responses were tested on day 14. Responses toward mechanical allodynia and thermal hyperalgesia were tested with von Frey’s filament and Hargreaves’ tests, respectively. Symptoms of neuropathic pain were significantly alleviated following treatment with zerumbone (10 mg/kg; intraperitoneal, i.p.). However, when the voltage-dependent K+ channel blocker tetraethylammonium (TEA, 4 mg/kg; i.p.), ATP-sensitive K+ channel blocker, glibenclamide (GLIB, 10 mg/kg; i.p.); small-conductance Ca2+-activated K+ channel inhibitor apamin (APA, 0.04 mg/kg; i.p.), or large-conductance Ca2+-activated K+ channel inhibitor charybdotoxin (CHAR, 0.02 mg/kg; i.p.) was administered prior to zerumbone (10 mg/kg; i.p.), the antiallodynic and antihyperalgesic effects of zerumbone were significantly reversed. Additionally, non-specific opioid receptors antagonist, naloxone (NAL, 10 mg/kg; i.p.), selective µ-, δ- and κ-opioid receptor antagonists; β-funaltrexamine (β-FN, 40 mg/kg; i.p.), naltrindole (20 mg/kg; s.c.), nor-binaltorphamine (10 mg/kg; s.c.) respectively attenuated the antiallodynic and antihyperalgesic effects of zerumbone. This outcome clearly demonstrates the participation of potassium channels and opioid receptors in the antineuropathic properties of zerumbone. As various clinically used neuropathic pain drugs also share this similar mechanism, this compound is, therefore, a highly potential substitute to these therapeutic options.
Recent Advances in Asymmetric Iron Catalysis
Authors: Casnati Alessandra , Lanzi Matteo , Cera Gianpiero
Published: August 2020

Asymmetric transition-metal catalysis represents a fascinating challenge in the field of organic chemistry research. Since seminal advances in the late 60s, which were finally recognized by the Nobel Prize to Noyori, Sharpless and Knowles in 2001, the scientific community explored several approaches to emulate nature in producing chiral organic molecules. In a scenario that has been for a long time dominated by the use of late-transition metals (TM) catalysts, the use of 3d-TMs and particularly iron has found, recently, a widespread application. Indeed, the low toxicity and the earth-abundancy of iron, along with its chemical versatility, allowed for the development of unprecedented and more sustainable catalytic transformations. While several competent reviews tried to provide a complete picture of the astounding advances achieved in this area, within this review we aimed to survey the latest achievements and new concepts brought in the field of enantioselective iron-catalyzed transformations.
An Atomic-Level Perspective of HMG-CoA-Reductase: The Target Enzyme to Treat Hypercholesterolemia
Authors: Gesto Diana S. , Pereira Carlos M. S. , Cerqueira Nuno M. F. S. , Sousa Sérgio F.
Published: August 2020

This review provides an updated atomic-level perspective regarding the enzyme 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMG-CoAR), linking the more recent data on this enzyme with a structure/function interpretation. This enzyme catalyzes one of the most important steps in cholesterol biosynthesis and is regarded as one of the most important drug targets in the treatment of hypercholesterolemia. Taking this into consideration, we review in the present article several aspects of this enzyme, including its structure and biochemistry, its catalytic mechanism and different reported and proposed approaches for inhibiting this enzyme, including the commercially available statins or the possibility of using dimerization inhibitors.
Focusing on the Catalysts of the Pd- and Ni-Catalyzed Hirao Reactions
Authors: Keglevich György , Henyecz Réka , Mucsi Zoltán
Published: August 2020

The Hirao reaction involving the phosphinoylation or phosphonation of aryl halides by >P(O)H reagents is a P–C bond forming transformation belonging to the recently very hot topic of cross-couplings. The Pd- or Ni-catalyzed variations take place via the usual cycle including oxidative addition, ligand exchange, and reductive elimination. However, according to the literature, the nature of the transition metal catalysts is not unambiguous. In this feature article, the catalysts described for the Pd(OAc)2-promoted cases are summarized, and it is concluded that the “(HOY2P)2Pd(0)” species (Y = aryl, alkoxy) is the real catalyst. In our model, the excess of the >P(O)H reagent served as the P-ligand. During the less studied Ni(II)-catalyzed instances the “(HOY2P)(−OY2P)Ni(II)Cl−” form was found to enter the catalytic cycle. The newest conclusions involving the exact structure of the catalysts, and the mechanism for their formation explored by us were supported by our earlier experimental data and theoretical calculations.
Improved Removal Capacity and Equilibrium Time of Maghemite Nanoparticles Growth in Zeolite Type 5A for Pb(II) Adsorption
Authors: Ramos-Guivar Juan A. , Taipe Katterine , Schettino Miguel Angelo , Silva Eloi , Morales Torres Marco Antonio , Passamani Edson Caetano , Litterst Fred Jochen
Published: August 2020

Novel magnetic zeolite type 5A nanocomposites were synthesized by the co-precipitation method and applied to lead removal from aqueous ambient. Maghemite nanoparticles were mixed with zeolite and, by controlling its content, transmission electron microscopy results gave sizes of 5 to 15 nm and selected area electron diffraction patterns confirmed the presence of zeolite. The nanocomposites have high specific surface area with values up to 194 m2/g. Magnetization measurements proved superparamagnetic behavior with saturation values of ~35 emu/gFe. Kinetic adsorption experiments showed removal efficiencies of 99.9% and an enhanced equilibrium time of 5 min. The lead concentrations after adsorption experiments lay under the permissible levels of 10 μg L−1, according to the World Health Organization. The maximum adsorption capacity, estimated by Sips model, was 265 mg L−1 at 300 K. The removal efficiency was significantly improved in the range of pH > 6, as well as in the presence of cation interferents such as Ca(II), Cu(II), and Cd(II). The adsorption mechanism was explained with cation exchange between Pb(II), the zeolite framework, and the protonated maghemite surface. Besides, our system revealed recyclability even after seven regeneration cycles. Thus, our synthesized materials have remarkable adsorption properties for lead water remediation processes.
Enhanced Mechanical Properties of Multiscale Carbon Fiber/Epoxy Unidirectional Composites with Different Dimensional Carbon Nanofillers
Authors: Liu Yu , Zhang Dong-Dong , Cui Guang-Yuan , Luo Rui-Ying , Zhao Dong-Lin
Published: August 2020

Ammonia modified graphene-carbon nanotubes/continuous carbon fiber reinforced epoxy unidirectional multiscale composites (AMGNS-MWCNT/CFEP) were prepared by adding ammonia modified graphene and carbon nanotubes to an epoxy matrix to reduce agglomeration of carbon nanofillers in the epoxy matrix and improve composites properties. Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), and universal testing machines were used to characterize the properties of carbon nanofillers, AMGNS-MWCNT/epoxy nanocomposites, and AMGNS-MWCNT/CFEP unidirectional composites. When the AMGNS-MWCNT content was 1.0 wt%, flexural strength, the flexural modulus and interlaminar shear strength of AMGNS-MWCNT/CFEP unidirectional composites reached the maximum value of 1520.3 MPa, 138.88 GPa, and 87.80 MPa, respectively, which were 12.5%, 9.42%, and 10.1% higher than that of carbon fiber reinforced epoxy unidirectional composites (CFEP). The synergistic mechanism of two carbon nanofillers in the matrix is discussed.
Advances in Gold Nanoparticle-Based Combined Cancer Therapy
Authors: Bromma Kyle , Chithrani Devika B.
Published: August 2020

According to the global cancer observatory (GLOBOCAN), there are approximately 18 million new cancer cases per year worldwide. Cancer therapies are largely limited to surgery, radiotherapy, and chemotherapy. In radiotherapy and chemotherapy, the maximum tolerated dose is presently being used to treat cancer patients. The integrated development of innovative nanoparticle (NP) based approaches will be a key to address one of the main issues in both radiotherapy and chemotherapy: normal tissue toxicity. Among other inorganic NP systems, gold nanoparticle (GNP) based systems offer the means to further improve chemotherapy through controlled delivery of chemotherapeutics, while local radiotherapy dose can be enhanced by targeting the GNPs to the tumor. There have been over 20 nanotechnology-based therapeutic products approved for clinical use in the past two decades. Hence, the goal of this review is to understand what we have achieved so far and what else we can do to accelerate clinical use of GNP-based therapeutic platforms to minimize normal tissue toxicity while increasing the efficacy of the treatment. Nanomedicine will revolutionize future cancer treatment options and our ultimate goal should be to develop treatments that have minimum side effects, for improving the quality of life of all cancer patients.
Trastuzumab: More than a Guide in HER2-Positive Cancer Nanomedicine
Authors: Nieto Celia , Vega Milena A. , Martín del Valle Eva M.
Published: August 2020

HER2 overexpression, which occurs in a fifth of diagnosed breast cancers as well as in other types of solid tumors, has been traditionally linked to greater aggressiveness. Nevertheless, the clinical introduction of trastuzumab has helped to improve HER2-positive patients’ outcomes. As a consequence, nanotechnology has taken advantage of the beneficial effects of the administration of this antibody and has employed it to develop HER2-targeting nanomedicines with promising therapeutic activity and limited toxicity. In this review, the molecular pathways that could be responsible for trastuzumab antitumor activity will be briefly summarized. In addition, since the conjugation strategies that are followed to develop targeting nanomedicines are essential to maintaining their efficacy and tolerability, the ones most employed to decorate drug-loaded nanoparticles and liposomes with trastuzumab will be discussed here. Thus, the advantages and disadvantages of performing this trastuzumab conjugation through adsorption or covalent bindings (through carbodiimide, maleimide, and click-chemistry) will be described, and several examples of targeting nanovehicles developed following these strategies will be commented on. Moreover, conjugation methods employed to synthesized trastuzumab-based antibody drug conjugates (ADCs), among which T-DM1 is well known, will be also examined. Finally, although trastuzumab-decorated nanoparticles and liposomes and trastuzumab-based ADCs have proven to have better selectivity and efficacy than loaded drugs, trastuzumab administration is sometimes related to side toxicities and the apparition of resistances. For this reason also, this review focuses at last on the important role that newer antibodies and peptides are acquiring these days in the development of HER2-targeting nanomedicines.
Interleukin-6 Gene Expression Changes after a 4-Week Intake of a Multispecies Probiotic in Major Depressive Disorder—Preliminary Results of the PROVIT Study
Authors: Reiter Alexandra , Bengesser Susanne A. , Hauschild Anne-Christin , Birkl-Töglhofer Anna-Maria , Fellendorf Frederike T. , Platzer Martina , Färber Tanja , Seidl Matthias , Mendel Lilli-Marie , Unterweger Renate , Lenger Melanie , Mörkl Sabrina , Dalkner Nina , Birner Armin , Queissner Robert , Hamm Carlo , Maget Alexander , Pilz Rene , Kohlhammer-Dohr Alexandra , Wagner-Skacel Jolana , Kreuzer Kathrin , Schöggl Helmut , Amberger-Otti Daniela , Lahousen Theresa , Leitner-Afschar Birgitta , Haybäck Johannes , Kapfhammer Hans-Peter , Reininghaus Eva
Published: August 2020

Major depressive disorder (MDD) is a prevalent disease, in which one third of sufferers do not respond to antidepressants. Probiotics have the potential to be well-tolerated and cost-efficient treatment options. However, the molecular pathways of their effects are not fully elucidated yet. Based on previous literature, we assume that probiotics can positively influence inflammatory mechanisms. We aimed at analyzing the effects of probiotics on gene expression of inflammation genes as part of the randomized, placebo-controlled, multispecies probiotics PROVIT study in Graz, Austria. Fasting blood of 61 inpatients with MDD was collected before and after four weeks of probiotic intake or placebo. We analyzed the effects on gene expression of tumor necrosis factor (TNF), nuclear factor kappa B subunit 1 (NFKB1) and interleukin-6 (IL-6). In IL-6 we found no significant main effects for group (F(1,44) = 1.33, p = ns) nor time (F(1,44) = 0.00, p = ns), but interaction was significant (F(1,44) = 5.67, p < 0.05). The intervention group showed decreasing IL-6 gene expression levels while the placebo group showed increasing gene expression levels of IL-6. Probiotics could be a useful additional treatment in MDD, due to their anti-inflammatory effects. Results of the current study are promising, but further studies are required to investigate the beneficial effects of probiotic interventions in depressed individuals.
Composition of Coloured Gastric Residuals in Extremely Preterm Infants-A Nested Prospective Observational Study
Authors: Athalye-Jape Gayatri , Nettleton Megan , Lai Ching-Tat , Nathan Elizabeth , Geddes Donna , Simmer Karen , Patole Sanjay
Published: August 2020

Green gastric residuals (GR) are often considered as a sign of feed intolerance and discarded in preterm infants. Probiotics are known to enhance feed tolerance in preterm infants. To assess the composition (primary outcome) and volume of discarded green GRs, and feeding outcomes in extremely preterm (EP) infants in a probiotic trial, composition of pale and dark green GRs in the first two weeks of life from EP infants (<28 weeks) in a randomized controlled trial (RCT: SiMPro) of single vs. three-strain probiotics was assessed. Feeding outcomes included time to full feeds (TFF: 150 mL/kg/day) and duration of parenteral nutrition (PN). EP infants given placebo in our previous probiotic RCT served as the reference group. Analysis involved linear regression modelling with clustered standard errors for repeated measurements. GRs of 74/103 from 39 SiMPro infants (18: single-strain, 21: three-strain) were analyzed. Bile acid content was higher but statistically insignificant (825.79 vs. 338.1 µmol/L; p = 0.12) in dark vs. pale green GRs. Mean (95% confidence interval) fat, nitrogen, and carbohydrate loss in GRs over the study period was 0.02 g (0.01–0.03), 0.011 g (0.009–0.013), and 0.05 g (0.04–0.06), respectively. Overall, SiMPro infants had shorter median TFF (10 vs. 14 days, p = 0.02) and duration of PN (10 vs. 16 days, p = 0.022) compared with control group infants. Z scores for growth parameters at discharge were comparable. Discarding dark green GRs meant higher loss of bile acids during early enteral nutrition in EP infants. Probiotic supplementation was associated with reduced TFF and duration of PN.
Vitamin D Doses from Solar Ultraviolet and Dietary Intakes in Patients with Depression: Results of a Case-Control Study
Authors: Jahrami Haitham , Bragazzi Nicola Luigi , Grant William Burgess , AlFarra Hala Shafeeq Mohamed , AlFara Wafa Shafeeq Mohamed , Mashalla Shahla , Saif Zahra
Published: August 2020

The purpose of this study to estimate cumulative vitamin D doses from solar ultraviolet and dietary intakes in patients with depression and compare it to healthy controls. Using a case-control research design, a sample of 96 patients with depression were age- and sex-matched with 96 healthy controls. Dietary vitamin D dose was estimated from diet analysis. Vitamin D-weighted ultraviolet solar doses were estimated from action spectrum conversion factors and geometric conversion factors accounting for the skin type, the fraction of body exposed, and age factor. Patients with depression had a lower dose of vitamin D (IU) per day with 234, 153, and 81 per day from all sources, sunlight exposure, and dietary intake, respectively. Controls had a higher intake of vitamin D (IU) per day with 357, 270, and 87 per day from all sources, sunlight exposure, and dietary intake, respectively. Only 19% and 30% met the minimum daily recommended dose of ≥400 IU per day for cases and controls, respectively. The sensitivity, specificity, percentage correctly classified and receiver operating characteristic (ROC) Area for the estimated vitamin D against serum vitamin D as reference were 100%, 79%, 80%, and 89%. Physical activity level was the only predictor of daily vitamin D dose. Vitamin D doses are lower than the recommended dose of ≥400 IU (10 mcg) per day for both cases with depression and healthy controls, being much lower in the former.
Increased Risk of High Body Fat and Altered Lipid Metabolism Associated to Suboptimal Consumption of Vitamin A Is Modulated by Genetic Variants rs5888 (SCARB1), rs1800629 (UCP1) and rs659366 (UCP2)
Authors: Galmés Sebastià , Palou Andreu , Serra Francisca
Published: August 2020

Obesity is characterized by an excessive body fat percentage (BF%). Animal and cell studies have shown benefits of vitamin A (VA) on BF% and lipid metabolism, but it is still controversial in humans. Furthermore, although some genetic variants may explain heterogeneity in VA plasma levels, their role in VA metabolic response is still scarcely characterized. This study was designed as a combination of an observational study involving 158 male subjects followed by a study with a well-balanced genotype–phenotype protocol, including in the design an ex vivo intervention study performed on isolated peripheral blood mononuclear cells (PBMCs) of the 41 former males. This is a strategy to accurately identify the delivery of Precision Nutrition recommendations to targeted subjects. The study assesses the influence of rs5888 (SCARB1), rs659366 (UCP2), and rs1800629 (UCP1) variants on higher BF% associated with suboptimal VA consumption and underlines the cellular mechanisms involved by analyzing basal and retinoic acid (RA) response on PBMC gene expression. Data show that male carriers with the major allele combinations and following suboptimal-VA diet show higher BF% (adjusted ANOVA test p-value = 0.006). Genotype–BF% interaction is observed on oxidative/inflammatory gene expression and also influences lipid related gene expression in response to RA. Data indicate that under suboptimal consumption of VA, carriers of VA responsive variants and with high-BF% show a gene expression profile consistent with an impaired basal metabolic state. The results show the relevance of consuming VA within the required amounts, its impact on metabolism and energy balance, and consequently, on men’s adiposity with a clear influence of genetic variants SCARB1, UCP2 and UCP1.
Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach
Authors: Leão Rozires P. , Cruz Josiane V. , da Costa Glauber V. , Cruz Jorddy N. , Ferreira Elenilze F. B. , Silva Raí C. , de Lima Lúcio R. , Borges Rosivaldo S. , dos Santos Gabriela B. , Santos Cleydson B. R.
Published: August 2020

The cyclooxygenase-2 receptor is a therapeutic target for planning potential drugs with anti-inflammatory activity. The selective cyclooxygenase-2 (COX-2) inhibitor rofecoxib was selected as a pivot molecule to perform virtual ligand-based screening from six commercial databases. We performed the search for similarly shaped Rapid Overlay of Chemical Structures (ROCS) and electrostatic (EON) compounds. After, we used pharmacokinetic and toxicological parameters to determine the best potential compounds, obtained through the softwares QikProp and Derek, respectively. Then, the compounds proceeded to the molecular anchorage study, which showed promising results of binding affinity with the hCOX-2 receptor: LMQC72 (∆G = −11.0 kcal/mol), LMQC36 (∆G = −10.6 kcal/mol), and LMQC50 (∆G = −10.2 kcal/mol). LMQC72 and LMQC36 showed higher binding affinity compared to rofecoxib (∆G = −10.4 kcal/mol). Finally, molecular dynamics (MD) simulations were used to evaluate the interaction of the compounds with the target hCOX-2 during 150 ns. In all MD simulation trajectories, the ligands remained interacting with the protein until the end of the simulation. The compounds were also complexing with hCOX-2 favorably. The compounds obtained the following affinity energy values: rofecoxib: ΔGbind = −45.31 kcal/mol; LMQC72: ΔGbind = −38.58 kcal/mol; LMQC36: ΔGbind = −36.10 kcal/mol; and LMQC50: ΔGbind = −39.40 kcal/mol. The selected LMQC72, LMQC50, and LMQC36 structures showed satisfactory pharmacokinetic results related to absorption and distribution. The toxicological predictions of these compounds did not display alerts for possible toxic groups and lower risk of cardiotoxicity compared to rofecoxib. Therefore, future in vitro and in vivo studies are needed to confirm the anti-inflammatory potential of the compounds selected here with bioinformatics approaches based on rofecoxib ligand.
Understanding the Half-Life Extension of Intravitreally Administered Antibodies Binding to Ocular Albumin
Authors: Hauri Simon , Jakubiak Paulina , Fueth Matthias , Dengl Stefan , Belli Sara , Alvarez-Sánchez Rubén , Caruso Antonello
Published: August 2020

The burden associated with frequent injections of current intravitreal (IVT) therapeutics may be reduced by long-acting delivery strategies. Binding to serum albumin has been shown to extend the ocular half-life in rabbits, however, the underlying molecular mechanisms and translational relevance remain unclear. The aim of this work was to characterize the in vitro and in vivo formation of complexes between human serum albumin (HSA) and an antigen-binding fragment of a rabbit antibody linked to an anti-HSA nanobody (FabA). The ocular and systemic pharmacokinetics of 3H-labeled FabA (0.05 mg/eye IVT) co-formulated with HSA (1 and 15 nmol/eye) were assessed in Dutch belted rabbits. Next, FabA was incubated in vitreous samples from cynomolgus monkeys and human donors (healthy and diseased) supplemented with species-specific serum albumin. Finally, the FabA-albumin complexes formed in vitro and in vivo were analyzed by radio-size exclusion chromatography. A 3-fold increase in FabA vitreal exposure and half-life was observed in rabbits co-administered with 15 nmol HSA compared to 1 nmol and a control arm. The different pharmacokinetic behavior was explained with the formation of higher molecular weight FabA–albumin complexes. The analysis of vitreous samples revealed the existence of predominantly 1:1 complexes at endogenous or low concentrations of supplemented albumin. A shift towards 1:2 complexes was observed with increasing albumin concentrations. Overall, these results suggest that endogenous vitreal albumin concentrations are insufficient for half-life extension and warrant supplementation in the dosing formulation.
Computational and Experimental Approaches for Determining Scattering Parameters of OPEFB/PLA Composites to Calculate the Absorption and Attenuation Values at Microwave Frequencies
Authors: Fahad Ahmad Ahmad , Aziz Sidek Hj Ab , Abbas Zulkifly , Mohammad Abdalhadi Daw , Khamis Ahmad Mamoun , Aliyu Umar Sa’ad
Published: August 2020

This article describes attenuation and absorption measurements using the microstrip transmission line technique connected with a microwave vector network analyzer (Agilent 8750B). The magnitudes of the reflection (S11) and transmission (S21) coefficients obtained from the microstrip transmission line were used to determine the attenuation and absorption of oil palm empty fruit bunch/polylactic acid (OPEFB/PLA) composites in a frequency range between 0.20 GHz and 12 GHz at room temperature. The main structure of semi-flexible substrates (OPEFF/PLA) was fabricated using different fiber loading content extracted from oil palm empty fruit bunch (OPEFB) trees hosted in polylactic acid (PLA) using the Brabender blending machine, which ensured mixture homogeneity. The commercial software package, Computer Simulation Technology Microwave Studio (CSTMWS), was used to investigate the microstrip line technique performance by simulating and determine the S11 and S21 for microwave substrate materials. Results showed that the materials’ transmission, reflection, attenuation, and absorption properties could be controlled by changing the percentage of OPEFB filler in the composites. The highest absorption loss was calculated for the highest percentage of filler (70%) OPEFB at 12 GHz to be 0.763 dB, while the lowest absorption loss was calculated for the lowest percentage of filler 30% OPEFB at 12 GHz to be 0.407 dB. Finally, the simulated and measured results were in excellent agreement, but the environmental conditions slightly altered the results. From the results it is observed that the value of the dielectric constant (εr′) and loss factor (εr″) is higher for the OPEFB/PLA composites with a higher content of OPEFB filler. The dielectric constant increased from 2.746 dB to 3.486 dB, while the loss factor increased from 0.090 dB to 0.5941 dB at the highest percentage of 70% OPEFB filler. The dielectric properties obtained from the open-ended coaxial probe were required as input to FEM to calculate the S11 and S21 of the samples.
Tensile Strength and Moisture Absorption of Sugar Palm-Polyvinyl Butyral Laminated Composites
Authors: Syaqira S Shamsudin N. , Leman Z. , Sapuan S. M. , Dele-Afolabi T. T. , Azmah Hanim M. A. , S. Budati
Published: August 2020

Natural fiber reinforced composites have had a great impact on the development of eco-friendly industrial products for several engineering applications. Sugar palm fiber (SPF) is one of the newly found natural fibers with limited experimental investigation. In the present work, sugar palm fiber was employed as the natural fiber reinforcement. The composites were hot compressed with polyvinyl butyral (PVB) to form the structure of laminated composites and then were subjected to tensile testing and moisture absorption. The maximum modulus and tensile strength of 0.84 MPa and 1.59 MPa were registered for samples PVB 80-S and PVB 70-S, respectively. Subsequently, the latter exhibited the highest tensile strain at a maximum load of 356.91%. The moisture absorption test revealed that the samples exhibited better water resistance as the proportion of PVB increased relative to the proportion of SPF due to the remarkable hydrophobic property of PVB in comparison with that of SPF.
Accelerated Ageing Procedures to Assess the Stability of an Unconventional Acrylic-Wax Polymeric Emulsion for Contemporary Art
Authors: Izzo Francesca Caterina , Balliana Eleonora , Perra Emanuela , Zendri Elisabetta
Published: August 2020

This research evaluates the stability of an aqueous emulsion of acrylic copolymers and waxes. Edelwachs, generally applied on wood, has been recently used as an unconventional medium in contemporary painting. Through Pyrolysis–Gas Chromatography–Mass Spectrometry (Py-GC-MS) and Fourier Transformed Infrared Attenuated Total Reflectance (FT-IR-ATR) analyses, the composition of Edelwachs was defined as a mixture of acrylic polymers (MA, MMA, nBA, nBMA), Carnauba and microcrystalline waxes and additives. Mock-ups-obtained mixing Edelwachs with titanium white, zinc white and ultramarine blue were subjected to UV, high temperatures, and high relative humidity accelerated ageing. The effect of the ageing procedures was evaluated through optical microscopy, colourimetric measurements, FT-IR-ATR, Thermogravimetry and Differential Scanning Calorimetry (TG-DSC) and wettability measures. FT-IR-ATR spectra do not show significant variations in terms of chemical stability, indicating a fair stability of Edelwachs as a painting binder. UV and high temperature treatments show the most relevant effects in terms of colorimetric changes (increasing of b*) and thermal stability. The TG-DSC highlights the influence of the pigments (specifically zinc white) mainly on the thermal behaviour of the acrylates. The unexpected decrease of wettability of the paint films, registered after ageing, may indicate a possible phase separation among acrylates and waxes.
Diffraction and Polarization Properties of Electrically–Tunable Nematic Liquid Crystal Grating
Authors: Huang Shuan-Yu , Huang Bing-Yau , Kang Chi-Chung , Kuo Chie-Tong
Published: August 2020

This work demonstrates an electrically-tunable nematic liquid crystal (NLC) diffraction grating with a periodic electrode structure, and discusses the polarization properties of its diffraction. The efficiency of the first-order diffraction can be gradually controlled by applying external electric fields cross the NLC, and the maximum diffraction efficiency of the first-order diffraction that can be obtained is around 12.5% under the applied voltage of 5.0 V. In addition to the applied electric field, the efficiency of the first-order diffraction can also vary by changing the polarized state of the incident beam. Antisymmetric polarization states with symmetrical intensities in the diffractions corresponding to the +1 and −1 order diffraction signals are also demonstrated.
An Evaluation of Radiative Transfer Simulations of Cloudy Scenes from a Numerical Weather Prediction Model at Sub-Millimetre Frequencies Using Airborne Observations
Authors: Fox Stuart
Published: August 2020

The Ice Cloud Imager (ICI) will be launched on the next generation of EUMETSAT polar-orbiting weather satellites and make passive observations between 183 and 664 GHz which are sensitive to scattering from cloud ice. These observations have the potential to improve weather forecasts through direct assimilation using "all-sky" methods which have been successfully applied to microwave observations up to 200 GHz in current operational systems. This requires sufficiently accurate representations of cloud ice in both numerical weather prediction (NWP) and radiative transfer models. In this study, atmospheric fields from a high-resolution NWP model are used to drive radiative transfer simulations using the Atmospheric Radiative Transfer Simulator (ARTS) and a recently released database of cloud ice optical properties. The simulations are evaluated using measurements between 89 and 874 GHz from five case studies of ice and mixed-phase clouds observed by the Facility for Airborne Atmospheric Measurements (FAAM) BAe-146 research aircraft. The simulations are strongly sensitive to the assumed cloud ice optical properties, but by choosing an appropriate ice crystal model it is possible to simulate realistic brightness temperatures over the full range of sub-millimetre frequencies. This suggests that sub-millimetre observations have the potential to be assimilated into NWP models using the all-sky method.
Vegetation Growth Status and Topographic Effects in the Pisha Sandstone Area of China
Authors: Wang Ruijie , Yan Feng , Wang Yanjiao
Published: August 2020

Fractional vegetation coverage (FVC) plays an important role in monitoring vegetation growth status and evaluating restoration efforts in ecological environments. In this study, FVC was calculated using a binary pixel model and analyzed in the Pisha Sandstone area of China, using MODIS-EVI data from 2000 to 2019. Topographic effects were analyzed from elevation, slope and aspect using a terrain niche index model. The results were as follows. (1) From 2000 to 2019, FVC in the Pisha Sandstone area of China gradually increased at a mean rate of 0.0074/a, and the growth status of vegetation gradually improved. (2) The spatial distribution of FVC steadily decreased from southeast to northwest. FVC was the lowest in bare parts of the Pisha Sandstone area, whereas those in the sand- and soil-covered parts were the middle and highest, respectively. (3) With increasing elevation, the inferior coverage area and terrain niche index increased, and inferior coverage distribution changed from non-dominant to dominant. Meanwhile, the low, medium and high coverage areas decreased, and their distributions changed from dominance to non-dominance. (4) With increasing slope, distributions of the inferior, medium and high coverage areas changed from dominant to non-dominant, while the low coverage area had a dominant distribution. (5) Analyses of aspect effects revealed that the inferior coverage area was the dominant distribution in shady slopes but was non-dominant in semi-shady, semi-sunny and sunny slopes. The low, medium and high coverage areas were non-dominant in shady slopes, but dominant in semi-shady, semi-sunny and sunny slopes.
Microphysical and Polarimetric Radar Signatures of an Epic Flood Event in Southern China
Authors: Ma Yu , Chen Haonan , Ni Guangheng , Chandrasekar V. , Gou Yabin , Zhang Wenjuan
Published: August 2020

An extremely heavy rainfall event hit Guangdong province, China, from 27 August to 1 September 2018. There were two different extreme rain regions, respectively, at the Pearl River estuary and eastern Guangdong, and a record-breaking daily precipitation of 1056.7 mm was observed at Gaotan station on 30 August. This paper utilizes a suite of observations from soundings, a gauge network, disdrometers, and polarimetric radars to gain insights to the two rainfall centers. The large-scale meteorological forcing, rainfall patterns, and microphysical processes, as well as radar-based precipitation signatures are investigated. It is concluded that a west-moving monsoon depression played a critical role in sustaining the moisture supply to the two extreme rain regions, and the combined orographic enhancement further contributed to the torrential rainfall over Gaotan station. The raindrop size distributions (DSD) observed at Zhuhai and Huidong stations, as well as the observed polarimetric radar signatures indicate that the rainfall at Doumen region was characterized by larger raindrops but a lower number concentration compared with that at Gaotan region. In addition, the dual-polarization radars are used to quantify precipitation intensity during this extreme event, providing timely information for flood warning and emergency management decision-making.
Empirical Relationships between Remote-Sensing Reflectance and Selected Inherent Optical Properties in Nordic Sea Surface Waters for the MODIS and OLCI Ocean Colour Sensors
Authors: Konik Marta , Kowalczuk Piotr , Zabłocka Monika , Makarewicz Anna , Meler Justyna , Zdun Agnieszka , Darecki Mirosław
Published: August 2020

The Nordic Seas and the Fram Strait regions are a melting pot of a number of water masses characterized by distinct optical water properties. The warm Atlantic Waters transported from the south and the Arctic Waters from the north, combined with the melt waters contributing to the Polar Waters, mediate the dynamic changes of the year-to-year large-scale circulation patterns in the area, which often form complex frontal zones. In the last decade, moreover, a significant shift in phytoplankton phenology in the area has been observed, with a certain northward expansion of temperate phytoplankton communities into the Arctic Ocean which could lead to a deterioration in the performance of remote sensing algorithms. In this research, we exploited the capability of the satellite sensors to monitor those inter-annual changes at basin scales. We propose locally adjusted algorithms for retrieving chlorophyll a concentrations Chla, absorption by particles ap at 443 and 670 nm, and total absorption atot at 443 and 670 nm developed on the basis of intensive field work conducted in 2013–2015. Measured in situ hyper spectral remote sensing reflectance has been used to reconstruct the MODIS and OLCI spectral channels for which the proposed algorithms have been adapted. We obtained MNB ≤ 0.5% for ap(670) and ≤3% for atot(670) and Chla. RMS was ≤30% for most of the retrieved optical water properties except ap(443) and Chla. The mean monthly mosaics of ap(443) computed on the basis of the proposed algorithm were used for reconstructing the spatial and temporal changes of the phytoplankton biomass in 2013–2015. The results corresponded very well with in situ measurements.
HROM: Learning High-Resolution Representation and Object-Aware Masks for Visual Object Tracking
Authors: Zhang Dawei , Zheng Zhonglong , Wang Tianxiang , He Yiran
Published: August 2020

Siamese network-based trackers consider tracking as features cross-correlation between the target template and the search region. Therefore, feature representation plays an important role for constructing a high-performance tracker. However, all existing Siamese networks extract the deep but low-resolution features of the entire patch, which is not robust enough to estimate the target bounding box accurately. In this work, to address this issue, we propose a novel high-resolution Siamese network, which connects the high-to-low resolution convolution streams in parallel as well as repeatedly exchanges the information across resolutions to maintain high-resolution representations. The resulting representation is semantically richer and spatially more precise by a simple yet effective multi-scale feature fusion strategy. Moreover, we exploit attention mechanisms to learn object-aware masks for adaptive feature refinement, and use deformable convolution to handle complex geometric transformations. This makes the target more discriminative against distractors and background. Without bells and whistles, extensive experiments on popular tracking benchmarks containing OTB100, UAV123, VOT2018 and LaSOT demonstrate that the proposed tracker achieves state-of-the-art performance and runs in real time, confirming its efficiency and effectiveness.
Characterization, Statistical Analysis and Method Selection in the Two-Clocks Synchronization Problem for Pairwise Interconnected Sensors
Authors: Fernández-Madrigal Juan-Antonio , Navarro Angeles , Asenjo Rafael , Cruz-Martín Ana
Published: August 2020

Time synchronization among sensor devices connected through non-deterministic media is a fundamental requirement for sensor fusion and other distributed tasks that need a common time reference. In many of the time synchronization methods existing in literature, the estimation of the relation between pairs of clocks is a core concept; moreover, in applications that do not have general connectivity among its devices but a simple pairwise topology, such as embedded systems, mobile robots or home automation, two-clock synchronization is actually the basic form of the time estimation problem. In these kinds of applications, especially for critical ones, not only the quality of the estimation of the relation between two clocks is important, but also the bounds the methods provide for the estimated values, and their computational effort (since many are small systems). In this paper, we characterize, with a thorough parameterization, the possible scenarios where two-clock synchronization is to be solved, and then conduct a rigorous statistical study of both scenarios and methods. The study is based on exhaustive simulations run in a super-computer. Our aim is to provide a sound basis to select the best clock synchronization algorithm depending on the application requirements and characteristics, and also to deduce which ones of these characteristics are most relevant, in general, when solving the problem. For our comparisons we have considered several representative methods for clock synchronization according to a novel taxonomy that we also propose in the paper, and in particular, a few geometrical ones that have special desirable characteristics for the two-clock problem. We illustrate the method selection procedure with practical use-cases of sensory systems where two-clock synchronization is essential.
An AUV-Aided Cross-Layer Mobile Data Gathering Protocol for Underwater Sensor Networks
Authors: Alfouzan Faisal Abdulaziz , Ghoreyshi Seyed Mohammad , Shahrabi Alireza , Ghahroudi Mahsa Sadeghi
Published: August 2020

Underwater sensor networks (UWSNs) have recently attracted much attention due to their ability to discover and monitor the aquatic environment. However, acoustic communication has posed some significant challenges, such as high propagation delay, low available bandwidth, and high bit error rate. Therefore, proposing a cross-layer protocol is of high importance to the field to integrate different communication functionalities (i.e, an interaction between data link layer and network layer) to interact in a more reliable and flexible manner to overcome the consequences of applying acoustic signals. In this paper, a novel Cross-Layer Mobile Data gathering (CLMD) scheme for Underwater Sensor Networks (UWSNs) is presented to improve the performance by providing the interaction between the MAC and routing layers. In CLMD, an Autonomous Underwater Vehicle (AUV) is used to periodically visit a group of clusters which are responsible for data collection from members. The communications are managed by using a distributed cross-layer solution to enhance network performance in terms of packet delivery and energy saving. The cluster heads are replaced with other candidate members at the end of each operational phase to prolong the network lifetime. The effectiveness of CLMD is verified through an extensive simulation study which reveals the performance improvement in the energy-saving, network lifetime, and packet delivery ratio with varying number of nodes. The effects of MAC protocols are also studied by studying the network performance under various MAC protocols in terms of packet delivery ratio, goodput, and energy consumption with varying density of nodes.