bluuebunny/crossref_metadata_2025 huggingface dataset:
Crypto Hash Algorithm-Based Blockchain Technology for Managing Decentralized Ledger Database in Oil and Gas Industry
Authors: Ajao Lukman Adewale , Agajo James , Adedokun Emmanuel Adewale , Karngong Loveth
Published: August 2019

This research work proposes a method for the securing and monitoring of petroleum product distribution records in a decentralized ledger database using blockchain technology. The aim of using this technique is to secure the transaction of distributed ledgers in a database and to protect records from tampering, fraudulent activity, and corruption by the chain participants. The blockchain technology approach offers an efficient security measure and novel advantages, such as in the transaction existence and distribution ledger management between the depot, transporter, and retailing filling station. Others advantages are transparency, immunity to fraud, insusceptibility to tampering, and maintaining record order. The technique adopted for this secure distributed ledger database is crypto hash algorithm-1 (SHA-1)-based public permissioned blockchain and telematics, while this telematics approach is an embedded system integrated into an in-vehicle model for remote tracking of geolocation (using Global Positioning System (GPS)), monitoring, and far-off data acquisition in a real-time. The scope of the data in the secure distributed ledger database (using blockchain) developed are identification (ID) of the tanker operator, Depot name, Source station ID, Destination station ID, Petroleum product volume, Transporter ID, and Geographic automobiles location. This system proved to be efficient, secure, and easy to maintain as it does not permit any individual for records tampering, but supports agreement of ~75% of participants in the chain to make changes.
Repeatability of Intraoral Scanners for Complete Arch Scan of Partially Edentulous Dentitions: An In Vitro Study
Authors: Lee Jae-Hyun , Yun Je-Hyeon , Han Jung-Suk , Yeo In-Sung Luke , Yoon Hyung-In
Published: August 2019

Research on whether the number or location of missing teeth affects the accuracy of intraoral scanners in partial edentulous patients is scarce. This study aimed to evaluate the precision of complete-arch scan data of various partial edentulous arches acquired by intraoral scanners. Five different maxillary models were scanned using Carestream CS3600 and Medit i500 scanners. The models employed here were control: Fully dentate; Case 1: Missing a right second premolar and a first molar; Case 2: Missing a right second premolar, a first molar, both left premolars, and a left first molar; Case 3: Missing four incisors and a right canine; and Case 4: Missing four incisors, a left second premolar, and a first molar. Six scans per group were performed and the resulting two datasets were paired to analyze the precision of each group (n = 15). Two-way ANOVA was performed (α = 0.05). The root mean square (RMS) error values in Cases 2, 3, and 4 were significantly higher than those in Case 1 and control. The RMS values of the two intraoral scanners were not significantly different. Scanning precision was significantly lower for both devices when used for scanning dental arches with ≥5 missing teeth.
Lymphadenectomy for Upper Tract Urothelial Carcinoma: A Systematic Review
Authors: Duquesne Igor , Ouzaid Idir , Loriot Yohann , Moschini Marco , Xylinas Evanguelos
Published: August 2019

Background: The role of lymphonodal dissection during surgery for a tumor of the urinary tract remains controversial. Objective: To analyze anatomical bases of lymphonodal dissection in tumors of the upper urinary tract and analyze its impact on survival, recurrence, and staging. Acquisition of data: A web-based search for scientific articles using Medline/Pubmed was carried out to identify and analyze articles on the practice and the role of lymphonodal dissection in this indication. Data Synthesis: The lymphatic drainage of the upper urinary tract has rarely been studied and is poorly understood. The lymphonodal metastatic extension is the most common extension in upper urinary tract urothelial carcinoma. Lymphnode invasion is a clear independent poor prognostic factor. Therefore, it seems legitimate to offer an extended lymphonodal dissection to patients undergoing surgery to cure these tumors. When lymphnodes dissection respects clear anatomical principles based on the location of the primary tumor and its extension, it improves both survival and recurrence rates. This result could be secondary to the treatment of subclinical metastatic disease. Conclusion: An extended lymphadenectomy during surgery for upper urinary tract urothelial carcinoma following strict anatomical pattern improves staging with a highly probable therapeutic benefit.
The Informational Substrate of Chemical Evolution: Implications for Abiogenesis
Authors: de la Escosura Andrés
Published: August 2019

A key aspect of biological evolution is the capacity of living systems to process information, coded in deoxyribonucleic acid (DNA), and used to direct how the cell works. The overall picture that emerges today from fields such as developmental, synthetic, and systems biology indicates that information processing in cells occurs through a hierarchy of genes regulating the activity of other genes through complex metabolic networks. There is an implicit semiotic character in this way of dealing with information, based on functional molecules that act as signs to achieve self-regulation of the whole network. In contrast to cells, chemical systems are not thought of being able to process information, yet they must have preceded biological organisms, and evolved into them. Hence, there must have been prebiotic molecular assemblies that could somehow process information, in order to regulate their own constituent reactions and supramolecular organization processes. The purpose of this essay is then to reflect about the distinctive features of information in living and non-living matter, and on how the capacity of biological organisms for information processing was possibly rooted in a particular type of chemical systems (here referred to as autonomous chemical systems), which could self-sustain and reproduce through organizational closure of their molecular building blocks.
Role of the Flat-Designed Surface in Improving the Cyclic Fatigue Resistance of Endodontic NiTi Rotary Instruments
Authors: Gambarini Gianluca , Miccoli Gabriele , Seracchiani Marco , Khrenova Tatyana , Donfrancesco Orlando , D’Angelo Maurilio , Galli Massimo , Di Nardo Dario , Testarelli Luca
Published: August 2019

The aim of this study was to investigate the role of the flat-designed surface in improving the resistance to cyclic fatigue by comparing heat-treated F-One (Fanta Dental, Shanghai, China) nickel–titanium (NiTi) rotary instruments and similar prototypes, differing only by the absence of the flat side. The null hypothesis was that there were no differences between the two tested instruments in terms of cyclic fatigue lifespan. A total of 40 new NiTi instruments (20 F-One and 20 prototypes) were tested in the present study. The instruments were rotated with the same speed (500 rpm) and torque (2 N) using an endodontic motor (Elements Motor, Kerr, Orange, CA, USA) in the same stainless steel, artificial canal (90° angle of curvature and 5 mm radius). A Wilcoxon–Mann–Whitney test was performed to assess the differences in terms of time to fracture and the length of the fractured segment between the flat- and non-flat-sided instruments. Significance was set at p = 0.05. The differences in terms of time to fracture between non-flat and flat were statistically significant (p < 0.001). In addition, the differences in terms of fractured segment length were statistically significant (p = 0.034). The results of this study highlight the importance of flat-sided design in increasing the cyclic fatigue lifespan of NiTi rotary instruments.
Glow Discharge in a High-Velocity Air Flow: The Role of the Associative Ionization Reactions Involving Excited Atoms
Authors: Cejas Ezequiel , Mancinelli Beatriz Rosa , Prevosto Leandro
Published: August 2019

A kinetic scheme for non-equilibrium regimes of atmospheric pressure air discharges is developed. A distinctive feature of this model is that it includes associative ionization with the participation of N(2D, 2P) atoms. The thermal dissociation of vibrationally excited nitrogen molecules and the electronic excitation from all the vibrational levels of the nitrogen molecules are also accounted for. The model is used to simulate the parameters of a glow discharge ignited in a fast longitudinal flow of preheated (T0 = 1800–2900 K) air. The results adequately describe the dependence of the electric field in the glow discharge on the initial gas temperature. For T0 = 1800 K, a substantial acceleration in the ionization kinetics of the discharge is found at current densities larger than 3 A/cm2, mainly due to the N(2P) + O(3P) → NO+ + e process; being the N(2P) atoms produced via quenching of N2(A3∑u+) molecules by N(4S) atoms. Correspondingly, the reduced electric field noticeably falls because the electron energy (6.2 eV) required for the excitation of the N2(A3∑u+) state is considerably lower than the ionization energy (9.27 eV) of the NO molecules. For higher values of T0, the associative ionization N(2D) + O(3P) → NO+ + e process (with a low–activation barrier of 0.38 eV) becomes also important in the production of charged particles. The N(2D) atoms being mainly produced via quenching of N2(A3∑u+) molecules by O(3P) atoms.
Silver Nanowire Networks: Mechano-Electric Properties and Applications
Authors: Sohn Hiesang , Park Chulhwan , Oh Jong-Min , Kang Sang Wook , Kim Mi-Jeong
Published: August 2019

With increasing technological demand for portable electronic and photovoltaic devices, it has become critical to ensure the electrical and mechano-electric reliability of electrodes in such devices. However, the limited flexibility and high processing costs of traditional electrodes based on indium tin oxide undermine their application in flexible devices. Among various alternative materials for flexible electrodes, such as metallic/carbon nanowires or meshes, silver nanowire (Ag NW) networks are regarded as promising candidates owing to their excellent electrical, optical, and mechano-electric properties. In this context, there have been tremendous studies on the physico-chemical and mechano-electric properties of Ag NW networks. At the same time, it has been a crucial job to maximize the device performance (or their mechano-electric performance) by reconciliation of various properties. This review discusses the properties and device applications of Ag NW networks under dynamic motion by focusing on notable findings and cases in the recent literature. Initially, we introduce the fabrication (deposition process) of Ag NW network-based electrodes from solution-based coating processes (drop casting, spray coating, spin coating, etc.) to commercial processes (slot-die and roll-to-roll coating). We also discuss the electrical/optical properties of Ag NW networks, which are governed by percolation, and their electrical contacts. Second, the mechano-electric properties of Ag NW networks are reviewed by describing individual and combined properties of NW networks with dynamic motion under cyclic loading. The improved mechano-electric properties of Ag NW network-based flexible electrodes are also discussed by presenting various approaches, including post-treatment and hybridization. Third, various Ag NW-based flexible devices (electronic and optoelectronic devices) are introduced by discussing their operation principles, performance, and challenges. Finally, we offer remarks on the challenges facing the current studies and discuss the direction of research in this field, as well as forthcoming issues to be overcome to achieve integration into commercial devices.
A Study on Exfoliation of Expanded Graphite Stacks in Candelilla Wax
Authors: Lionetto Francesca , López-Muñoz Roberto , Espinoza-González Carlos , Mis-Fernández Ricardo , Rodríguez-Fernández Oliverio , Maffezzoli Alfonso
Published: August 2019

A novel, green route for pre-exfoliation of graphite based on a biodegradable polymer and high-power ultrasound is presented. Candelilla wax (CW), derived from the leaves of the candelilla plant, has been used for the first time as a natural non aqueous medium to induce the pre-exfoliation of expanded graphite (EG) under ultrasonic irradiation in an economical way. The proposed method uses also D-limonene as a natural organic solvent for reducing viscosity and increasing the affinity between the polar groups of EG and candelilla wax, thus improving the intercalation/exfoliation of EG. The quality of dispersion of the nanofiller in the natural wax matrix has been evaluated using multiple techniques. The addition of EG to wax and use of ultrasonic treatment leads to a reduced crystallinity, probably due to restrictions of the molecular movements, improved thermal stability of wax, and to an increased shear thinning exponent, which are all indicative of a high degree of EG dispersion. The ultrasonic dynamic mechanical results suggest a reduction in the cluster size and a better filler dispersion in the wax matrix promoted by polar or chemical reactions between the CW fractions and the graphite stacks, which was observed by XPS analysis. The results were compared to those obtained with paraffin, a synthetic wax, and confirmed the dispersion improvement obtained by using natural wax as a pre-exfoliating medium.
The Sharp Bound of the Hankel Determinant of the Third Kind for Starlike Functions with Real Coefficients
Authors: Kwon Oh Sang , Sim Young Jae
Published: August 2019

Let SR * be the class of starlike functions with real coefficients, i.e., the class of analytic functions f which satisfy the condition f ( 0 ) = 0 = f ′ ( 0 ) − 1 , Re { z f ′ ( z ) / f ( z ) } > 0 , for z ∈ D : = { z ∈ C : | z | < 1 } and a n : = f ( n ) ( 0 ) / n ! is real for all n ∈ N . In the present paper, it is obtained that the sharp inequalities − 4 / 9 ≤ H 3 , 1 ( f ) ≤ 3 / 9 hold for f ∈ SR * , where H 3 , 1 ( f ) is the third Hankel determinant of order 3 defined by H 3 , 1 ( f ) = a 3 ( a 2 a 4 − a 3 2 ) − a 4 ( a 4 − a 2 a 3 ) + a 5 ( a 3 − a 2 2 ) .
Assessment of Drugs Toxicity and Associated Biomarker Genes Using Hierarchical Clustering
Authors: Hasan Mohammad Nazmol , Malek Masuma Binte , Begum Anjuman Ara , Rahman Moizur , Mollah Md. Nurul Haque
Published: August 2019

Background and objectives: Assessment of drugs toxicity and associated biomarker genes is one of the most important tasks in the pre-clinical phase of drug development pipeline as well as in toxicogenomic studies. There are few statistical methods for the assessment of doses of drugs (DDs) toxicity and their associated biomarker genes. However, these methods consume more time for computation of the model parameters using the EM (expectation-maximization) based iterative approaches. To overcome this problem, in this paper, an attempt is made to propose an alternative approach based on hierarchical clustering (HC) for the same purpose. Methods and materials: There are several types of HC approaches whose performance depends on different similarity/distance measures. Therefore, we explored suitable combinations of distance measures and HC methods based on Japanese Toxicogenomics Project (TGP) datasets for better clustering/co-clustering between DDs and genes as well as to detect toxic DDs and their associated biomarker genes. Results: We observed that Word’s HC method with each of Euclidean, Manhattan, and Minkowski distance measures produces better clustering/co-clustering results. For an example, in the case of the glutathione metabolism pathway (GMP) dataset LOC100359539/Rrm2, Gpx6, RGD1562107, Gstm4, Gstm3, G6pd, Gsta5, Gclc, Mgst2, Gsr, Gpx2, Gclm, Gstp1, LOC100912604/Srm, Gstm4, Odc1, Gsr, Gss are the biomarker genes and Acetaminophen_Middle, Acetaminophen_High, Methapyrilene_High, Nitrofurazone_High, Nitrofurazone_Middle, Isoniazid_Middle, Isoniazid_High are their regulatory (associated) DDs explored by our proposed co-clustering algorithm based on the distance and HC method combination Euclidean: Word. Similarly, for the peroxisome proliferator-activated receptor signaling pathway (PPAR-SP) dataset Cpt1a, Cyp8b1, Cyp4a3, Ehhadh, Plin5, Plin2, Fabp3, Me1, Fabp5, LOC100910385, Cpt2, Acaa1a, Cyp4a1, LOC100365047, Cpt1a, LOC100365047, Angptl4, Aqp7, Cpt1c, Cpt1b, Me1 are the biomarker genes and Aspirin_Low, Aspirin_Middle, Aspirin_High, Benzbromarone_Middle, Benzbromarone_High, Clofibrate_Middle, Clofibrate_High, WY14643_Low, WY14643_High, WY14643_Middle, Gemfibrozil_Middle, Gemfibrozil_High are their regulatory DDs. Conclusions: Overall, the methods proposed in this article, co-cluster the genes and DDs as well as detect biomarker genes and their regulatory DDs simultaneously consuming less time compared to other mentioned methods. The results produced by the proposed methods have been validated by the available literature and functional annotation.
Sleep Disturbance and Rotator Cuff Tears: A Systematic Review
Authors: Longo Umile Giuseppe , Facchinetti Gabriella , Marchetti Anna , Candela Vincenzo , Risi Ambrogioni Laura , Faldetta Aurora , De Marinis Maria Grazia , Denaro Vincenzo
Published: August 2019

Background and Objectives: Sleep disorders are one of the most common complaints of patients with rotator cuff (RC) tears. However, potential correlations between the treatment of RC tears and the causal factors of sleep disorders are still under discussion. The aim of this review is to evaluate quality of sleep in patients before and after surgery for RC tears and to identify which factors affected patients’ sleep. Materials and Methods: A systematic review was conducted. To provide high quality of the review, the included studies were evaluated with the standardized tool “Quality Assessment Tool for Quantitative Studies” developed by the Effective Public Health Practice Project. Results: The search strategy yielded 78 articles. After duplicate removal and titles, abstracts and full-texts review, four studies were included in the systematic review. Concerning shoulder function, the most frequently reported scale was the Simple Shoulder Test (SST). Regarding sleep quality, the most frequently reported score was the Pittsburgh Sleep Quality Index (PSQI). Conclusion: We found that the majority of patients with RC tears had a sleep disturbance, especially before surgery with a general improvement in sleep quality post-operatively. Moreover, sleep quality was correlated with pain and it also seems that factors as comorbidities, obligatory position during night time, preoperative and prolonged postoperative use of narcotics and psychiatric issues may play an important role in sleep quality.
Effect of CaF2 on the Viscosity and Microstructure of CaO–SiO2–Al2O3 Based Continuous Casting Mold Flux
Authors: Wang Xingjuan , Jin Hebin , Zhu Liguang , Xu Ying , Liu Ran , Piao Zhanlong , Qu Shuo
Published: August 2019

In this study, a CaO–SiO2–Al2O3-based continuous casting mold flux was designed using the FactSage thermodynamics software to determine the composition range of CaF2. The viscosity characteristics of the mold flux were determined using a rotating viscometer. The results show that the constant temperature viscosity at 1300 °C decreases gradually as CaF2 content is increased from 3% to 11% in the CaO–SiO2–Al2O3-based slag. Viscosity is reduced from 0.854 to 0.241 Pa·s, viscous the flow activation energy is reduced from 157.74 to 114.34 kJ·mol−1, and the break temperature is reduced from 1280 to 1180 °C. Furthermore, when the CaF2 content is increased from 3% to 11%, the number of nonbridging fluorine bonds (Al–F structure and Si–F structure) in the melt increases to 287, the number of bridging fluorine bonds (Al–F–Al structure, Si–F–Si structure, and Si–F–Si structure) is only 17, and the network rupture of fluorine ions in the system is larger than the network formation. Consequently, both the degree of polymerization and viscosity are reduced.
Ample Arsenite Bio-Oxidation Activity in Bangladesh Drinking Water Wells: A Bonanza for Bioremediation?
Authors: Hassan Zahid , Sultana Munawar , Khan Sirajul I. , Braster Martin , Röling Wilfred F.M. , Westerhoff Hans V.
Published: August 2019

Millions of people worldwide are at risk of arsenic poisoning from their drinking water. In Bangladesh the problem extends to rural drinking water wells, where non-biological solutions are not feasible. In serial enrichment cultures of water from various Bangladesh drinking water wells, we found transfer-persistent arsenite oxidation activity under four conditions (aerobic/anaerobic; heterotrophic/autotrophic). This suggests that biological decontamination may help ameliorate the problem. The enriched microbial communities were phylogenetically at least as diverse as the unenriched communities: they contained a bonanza of 16S rRNA gene sequences. These related to Hydrogenophaga, Acinetobacter, Dechloromonas, Comamonas, and Rhizobium/Agrobacterium species. In addition, the enriched microbiomes contained genes highly similar to the arsenite oxidase (aioA) gene of chemolithoautotrophic (e.g., Paracoccus sp. SY) and heterotrophic arsenite-oxidizing strains. The enriched cultures also contained aioA phylotypes not detected in the previous survey of uncultivated samples from the same wells. Anaerobic enrichments disclosed a wider diversity of arsenite oxidizing aioA phylotypes than did aerobic enrichments. The cultivatable chemolithoautotrophic and heterotrophic arsenite oxidizers are of great interest for future in or ex-situ arsenic bioremediation technologies for the detoxification of drinking water by oxidizing arsenite to arsenate that should then precipitates with iron oxides. The microbial activities required for such a technology seem present, amplifiable, diverse and hence robust.
Spray-Drying Performance and Thermal Stability of L-ascorbic Acid Microencapsulated with Sodium Alginate and Gum Arabic
Authors: Barra Pabla A. , Márquez Katherine , Gil-Castell Oscar , Mujica Javiera , Ribes-Greus Amparo , Faccini Mirko
Published: August 2019

The potential of sodium alginate (ALG) and gum arabic (GA) as wall polymers for L-ascorbic acid (AA) encapsulation as a tool for their preservation against the thermo-oxidative degradation was investigated. The influence of such polymers used as wall material on the AA-content, size, encapsulation efficiency, encapsulation yield and thermo-oxidative stability were evaluated. The AA-microparticles were obtained using the spray-drying technique. An experimental Taguchi design was employed to assess the influence of the variables in the encapsulation process. The microparticles morphology and size distribution were characterized by scanning electron microscopy and laser diffraction. The thermal stability of AA microparticles was studied by differential scanning calorimetry and thermogravimetry analysis. This work points out the viability to encapsulate AA using GA and ALG through a spray-drying process. In general, a product yield ranging from 35.1% to 83.2% and an encapsulation efficiency above 90% were reached. Spherical microparticles with a smooth surface were obtained with a mean diameter around 6 μm and 9 μm for the those prepared with GA and ALG, respectively. The thermo-oxidative analysis showed that both polymers allow maintaining AA stable up to 188 °C, which is higher than the traditional processing temperature used in the fish feed industry.
Efficient Degradation of Acesulfame by Ozone/Peroxymonosulfate Advanced Oxidation Process
Authors: Shao Yu , Pang Zhicheng , Wang Lili , Liu Xiaowei
Published: August 2019

Artificial sweeteners (ASWs), a class of emerging contaminants with good water solubility, have attracted much attention recently because of their wide use and negative impact on the aquatic environment and drinking water. Efficient technologies for removing ASWs are in urgent need. This study investigated degradation of typical ASW acesulfame by ozone-activated peroxymonosulfate process (O3/PMS) in prepared and real waters. O3/PMS can degrade >90% acesulfame in prepared water within 15 min at a low dosage of O3 (60 ± 5 µg∙min−1) and PMS (0.4 mM). Ozone, hydroxyl radical (HO•), and sulfate radical (SO4•−) were identified as contributors for ACE degradation and their contribution proportion was 27.1%, 25.4%, and 47.5% respectively. O3/PMS showed the best degradation performance at neutral pH and were sensitive to constituents such as chloride and natural organic matters. The qualitative analysis of degradation products confirmed the involvement of hydroxyl radical and sulfate radical and figured out that the active sites of ACE were the C=C bond, ether bond, and C-N bond. The electrical energy per order ACE degradation were calculated to be 4.6 kWh/m3. Our findings indicate that O3 is an efficient PMS activator and O3/PMS is promising due to its characteristic of tunable O3−HO• SO4•− ternary oxidant involving.
Stability Evaluation and Stabilization of a Gastrin-Releasing Peptide Receptor (GRPR) Targeting Imaging Pharmaceutical
Authors: Ghosh Arijit , Woolum Karen , Kothandaraman Shankaran , Tweedle Michael F. , Kumar Krishan
Published: August 2019

The prostate-specific membrane antigen (PSMA) and gastrin-releasing peptide receptor (GRPR) are identified as important targets on prostate cancer. Receptor-targeting radiolabeled imaging pharmaceuticals with high affinity and specificity are useful in studying and monitoring biological processes and responses. Two potential imaging pharmaceuticals, AMBA agonist (where AMBA = DO3A-CH2CO-G-[4-aminobenzyl]- Gln-Trp-Ala-Val-Gly-His-Leu-Met-NH2) and RM1 antagonist (where RM1 = DO3A-CH2CO-G-[4-aminobenzyl]-D-Phe-Gln-Trp-Ala-Val-Gly-His-Sta-Leu-NH2), have demonstrated high binding affinity (IC50) to GRP receptors and high tumor uptake. Antagonists, despite the poor tumor cell internalization properties, can show clearer images and pharmacokinetic profiles by virtue of their higher tumor uptake in animal models compared to agonists. For characterization, development, and translation of a potential imaging pharmaceutical into the clinic, it must be evaluated in a series of tests, including in vitro cell binding assays, in vitro buffer and serum stability studies, the biodistribution of the radiolabeled material, and finally imaging studies in preclinical animal models. Data related to acetate buffer, mouse, canine, and human sera stability of 177Lu-labeled RM1 are presented here and compared with the acetate buffer and sera stability data of AMBA agonist. The samples of 177Lu-labeled RM1 with a high radioconcentration degrade faster than low-radioconcentration samples upon storage at 2–8 °C. Addition of stabilizers, ascorbic acid and gentisic acid, improve the stability of 177Lu-labeled RM1 significantly with gentisic acid being more efficient than ascorbic acid as a stabilizer. The degradation kinetics of 177Lu-labeled AMBA and RM1 in sera follow the order (fastest to slowest): mouse > canine > human sera. Finally, 177Lu-labeled RM1 antagonist is slower to degrade in mouse, canine, and human sera than 177Lu-labeled AMBA agonist, further suggesting that an antagonist is a more promising candidate than agonist for the positron emission tomography (PET) imaging and therapy of prostate cancer patients.
Green Synthesis of Privileged Benzimidazole Scaffolds Using Active Deep Eutectic Solvent
Authors: Di Gioia Maria Luisa , Cassano Roberta , Costanzo Paola , Herrera Cano Natividad , Maiuolo Loredana , Nardi Monica , Nicoletta Fiore Pasquale , Oliverio Manuela , Procopio Antonio
Published: August 2019

The exploitation and use of alternative synthetic methods, in the face of classical procedures that do not conform to the ethics of green chemistry, represent an ever-present problem in the pharmaceutical industry. The procedures for the synthesis of benzimidazoles have become a focus in synthetic organic chemistry, as they are building blocks of strong interest for the development of compounds with pharmacological activity. Various benzimidazole derivatives exhibit important activities such as antimicrobial, antiviral, anti-inflammatory, and analgesic activities, and some of the already synthesized compounds have found very strong applications in medicine praxis. Here we report a selective and sustainable method for the synthesis of 1,2-disubstituted or 2-substituted benzimidazoles, starting from o-phenylenediamine in the presence of different aldehydes. The use of deep eutectic solvent (DES), both as reaction medium and reagent without any external solvent, provides advantages in terms of yields as well as in the work up procedure of the reaction.
Ophiopogon Polysaccharide Promotes the In Vitro Metabolism of Ophiopogonins by Human Gut Microbiota
Authors: Wang Huai-You , Guo Shu-Chen , Peng Zhi-Tian , Wang Cheng , Duan Ran , Dong Tina T. X. , Tsim Karl W. K.
Published: August 2019

Gut microbiota play an important role in metabolism of intake saponins, and parallelly, the polysaccharides deriving from herbal products possess effects on gut microbiota. Ophiopogonis Radix is a common Chinese herb that is popularly used as functional food in China. Polysaccharide and steroidal saponin, e.g., ophiopogonin, mainly ophiopogonin D (Oph-D) and ophiopogonin D’ (Oph-D’), are the major constituents in this herb. In order to reveal the role of gut microbiota in metabolizing ophiopogonin, an in vitro metabolism of Oph-D and Oph-D’ by human gut microbiota, in combination with or without Ophiopogon polysaccharide, was conducted. A sensitive and reliable UPLC-MS/MS method was developed to simultaneously quantify Oph-D, Oph-D’ and their final metabolites, i.e., ruscogenin and diosgenin in the broth of microbiota. An elimination of Oph-D and Oph-D’ was revealed in a time-dependent manner, as well as the recognition of a parallel increase of ruscogenin and diosgenin. Ophiopogon polysaccharide was shown to stimulate the gut microbiota-induced metabolism of ophiopogonins. This promoting effect was further verified by increased activities of β-D-glucosidase, β-D-xylosidase, α-L-rhamnosidase and β-D-fucosidase in the broth. This study can be extended to investigate the metabolism of steroidal saponins by gut microbiota when combined with other herbal products, especially those herbs enriched with polysaccharides.
Effects of Portulaca Oleracea Extract on Acute Alcoholic Liver Injury of Rats
Authors: Qiao Jing-Yi , Li Han-Wei , Liu Fu-Gang , Li Yu-Cheng , Tian Shuo , Cao Li-Hua , Hu Kai , Wu Xiang-Xiang , Miao Ming-San
Published: August 2019

The present study was envisaged to investigate the chemical constituents and the intervention effects of Portulaca oleracea extract (POE) on acute alcoholic liver injury of rats. The chemical composition of POE was detected by high performance liquid chromatography (HPLC). Sixty male Wistar rats were divided into 6 groups: Normal control (NC) group, acute alcoholic liver injury model group (ALI), low, medium and high dose of POE (25, 50, 100 mg/kg) groups and bifendate (BF, 3.75 mg/kg) group. Each group was given by intragastrical administration for 7 days. Alcoholic liver injury was induced in the experimental model by administering 50% ethanol at 8 mL/kg and repeated administration after 6 h, for a period of 7 days. The results showed that pretreatment with POE significantly reduced the ethanol-elevated serum level of alanine aminotransferase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP) and triglyceride (TG). The activities of superoxide dismutase (SOD) and glutathione peroxidase (GSH-PX) in liver were enhanced followed by administration of POE, while the content of nitric oxide (NO) and malondialdehyde (MDA) was found to decrease. Hepatic content of tumor necrosis factor-α (TNF-α), and interleukin-6 (IL-6) was also reduced by POE treatment. These results indicated that POE could increase the antioxidant capacity and relieve the inflammatory injury of the liver cells induced by ethanol. Meanwhile, in our study, POE reduced the expression of miR-122, acetyl coenzyme A carboxylase (ACC) 1 mRNA and protein and increased the expression of lipoprotein lipase (LPL) mRNA and protein in liver, which indicated that POE could improve the lipid metabolism disorder induced by ethanol. Our findings suggested that POE had protective effects on acute alcoholic liver injury of rats.
Inhibition of CpLIP2 Lipase Hydrolytic Activity by Four Flavonols (Galangin, Kaempferol, Quercetin, Myricetin) Compared to Orlistat and Their Binding Mechanisms Studied by Quenching of Fluorescence
Authors: Nasri Ruba , Bidel Luc P R , Rugani Nathalie , Perrier Véronique , Carrière Frédéric , Dubreucq Eric , Jay-Allemand Christian
Published: August 2019

The inhibition of recombinant CpLIP2 lipase/acyltransferase from Candida parapsiolosis was considered a key model for novel antifungal drug discovery and a potential therapeutic target for candidiasis. Lipases have identified recently as potent virulence factors in C. parapsilosis and some other yeasts. The inhibition effects of orlistat and four flavonols (galangin, kaempferol, quercetin and myricetin) characterized by an increasing degree of hydroxylation in B-ring, were investigated using ethyl oleate hydrolysis as the model reaction. Orlistat and kaempferol (14 µM) strongly inhibited CpLIP2 catalytic activity within 1 min of pre-incubation, by 90% and 80%, respectively. The relative potency of flavonols as inhibitors was: kaempferol > quercetin > myricetin > galangin. The results suggested that orlistat bound to the catalytic site while kaempferol interacted with W294 on the protein lid. A static mechanism of interactions between flavonols and CpLIP2 lipase was confirmed by fluorescence quenching analyses, indicating that the interactions were mainly driven by hydrophobic bonds and electrostatic forces. From the Lehrer equation, fractions of tryptophan accessibility to the quencher were evaluated, and a relationship with the calculated number of binding sites was suggested.
A Novel Route to Manufacture 2D Layer MoS2 and g-C3N4 by Atmospheric Plasma with Enhanced Visible-Light-Driven Photocatalysis
Authors: Zhang Bo , Wang Zhenhai , Peng Xiangfeng , Wang Zhao , Zhou Ling , Yin QiuXiang
Published: August 2019

An atmospheric plasma treatment strategy was developed to prepare two-dimensional (2D) molybdenum disulfide (MoS2) and graphitic carbon nitride (g-C3N4) nanosheets from (NH4)2MoS4 and bulk g-C3N4, respectively. The moderate temperature of plasma is beneficial for exfoliating bulk materials to thinner nanosheets. The thicknesses of as-prepared MoS2 and g-C3N4 nanosheets are 2–3 nm and 1.2 nm, respectively. They exhibited excellent photocatalytic activity on account of the nanosheet structure, larger surface area, more flexible photophysical properties, and longer charge carrier average lifetime. Under visible light irradiation, the hydrogen production rates of MoS2 and g-C3N4 by plasma were 3.3 and 1.5 times higher than the corresponding bulk materials, respectively. And g-C3N4 by plasma exhibited 2.5 and 1.3 times degradation rates on bulk that for methyl orange and rhodamine B, respectively. The mechanism of plasma preparation was proposed on account of microstructure characterization and online mass spectroscopy, which indicated that gas etching, gas expansion, and the repulsive force of electron play the key roles in the plasma exfoliation. Plasma as an environmentally benign approach provides a general platform for fabricating ultrathin nanosheet materials with prospective applications as photocatalysts for pollutant degradation and water splitting.
Forsythia suspensa Protects against Bone Loss in Ovariectomized Mice
Authors: Hwang Youn-Hwan , Jang Seon-A , Kim Taesoo , Ha Hyunil
Published: August 2019

In traditional oriental medicine, the fruit of Forsythia suspensa has been used as a nutritional supplement to alleviate inflammation and treat gastrointestinal diseases. However, there is no information available on its beneficial effects on bone. We investigated the beneficial effects of F. suspensa water extract (WFS) on osteoclast differentiation and bone loss. The microarchitecture of trabecular bone was analyzed by micro-computed tomography. Osteoclast differentiation was evaluated based on tartrate-resistant alkaline phosphatase activity, and bone resorption activity was examined on a bone-like mineral surface. The mechanism of action of WFS was assessed by evaluating the expression and activation of signaling molecules. Phytochemical constituents were identified and quantitated by ultrahigh-performance liquid chromatography–tandem mass spectrometry. WFS reduced ovariectomy-induced trabecular bone loss and inhibited receptor activator of nuclear factor-κB ligand (RANKL)-induced osteoclast formation and resorption activity. WFS suppressed RANKL-induced expression of nuclear factor of activated T cells cytoplasmic 1, a crucial transcription factor for osteoclast differentiation by decreasing c-Fos protein levels and suppressing the activation of p38 and c-Jun-N-terminal kinase. We also identified 12 phytochemicals in WFS including lignans, phenylethanoids, and flavonoids. Collectively, these results suggest that WFS inhibits osteoclast differentiation and can potentially be used to treat postmenopausal osteoporosis.
Ketonuria Is Associated with Changes to the Abundance of Roseburia in the Gut Microbiota of Overweight and Obese Women at 16 Weeks Gestation: A Cross-Sectional Observational Study
Authors: Robinson Helen , Barrett Helen , Gomez-Arango Luisa , McIntyre H. David , Callaway Leonie , Dekker Nitert Marloes
Published: August 2019

The gut microbiome in pregnancy has been associated with various maternal metabolic and hormonal markers involved in glucose metabolism. Maternal ketones are of particular interest due to the rise in popularity of low-carbohydrate diets. We assessed for differences in the composition of the gut microbiota in pregnant women with and without ketonuria at 16 weeks gestation. Fecal samples were obtained from 11 women with fasting ketonuria and 11 matched controls. The samples were analyzed to assess for differences in gut microbiota composition by 16S rRNA sequencing. Supervised hierarchical clustering analysis showed significantly different beta-diversity between women with and without ketonuria, but no difference in the alpha-diversity. Group comparisons and network analysis showed that ketonuria was associated with an increased abundance of the butyrate-producing genus Roseburia. The bacteria that contributed the most to the differences in the composition of the gut microbiota included Roseburia, Methanobrevibacter, Uncl. RF39, and Dialister in women with ketonuria and Eggerthella, Phascolarctobacterium, Butyricimonas, and Uncl. Coriobacteriaceae in women without ketonuria. This study found that the genus Roseburia is more abundant in the gut microbiota of pregnant women with ketonuria. Roseburia is a butyrate producing bacterium and may increase serum ketone levels.
Sugar-Sweetened Beverages and Cardiometabolic Health: An Update of the Evidence
Authors: Malik Vasanti S. , Hu Frank B.
Published: August 2019

Sugar-sweetened beverages (SSBs) have little nutritional value and a robust body of evidence has linked the intake of SSBs to weight gain and risk of type 2 diabetes (T2D), cardiovascular disease (CVD), and some cancers. Metabolic Syndrome (MetSyn) is a clustering of risk factors that precedes the development of T2D and CVD; however, evidence linking SSBs to MetSyn is not clear. To make informed recommendations about SSBs, new evidence needs to be considered against existing literature. This review provides an update on the evidence linking SSBs and cardiometabolic outcomes including MetSyn. Findings from prospective cohort studies support a strong positive association between SSBs and weight gain and risk of T2D and coronary heart disease (CHD), independent of adiposity. Associations with MetSyn are less consistent, and there appears to be a sex difference with stroke with greater risk in women. Findings from short-term trials on metabolic risk factors provide mechanistic support for associations with T2D and CHD. Conclusive evidence from cohort studies and trials on risk factors support an etiologic role of SSB in relation to weight gain and risk of T2D and CHD. Continued efforts to reduce intake of SSB should be encouraged to improve the cardiometabolic health of individuals and populations.
Role of Dietary Flavonoids in Iron Homeostasis
Authors: Lesjak Marija , K. S. Srai Surjit
Published: August 2019

Balancing systemic iron levels within narrow limits is critical for human health, as both iron deficiency and overload lead to serious disorders. There are no known physiologically controlled pathways to eliminate iron from the body and therefore iron homeostasis is maintained by modifying dietary iron absorption. Several dietary factors, such as flavonoids, are known to greatly affect iron absorption. Recent evidence suggests that flavonoids can affect iron status by regulating expression and activity of proteins involved the systemic regulation of iron metabolism and iron absorption. We provide an overview of the links between different dietary flavonoids and iron homeostasis together with the mechanism of flavonoids effect on iron metabolism. In addition, we also discuss the clinical relevance of state-of-the-art knowledge regarding therapeutic potential that flavonoids may have for conditions that are low in iron such as anaemia or iron overload diseases.
Short Term Stability Testing of Efavirenz-Loaded Solid Lipid Nanoparticle (SLN) and Nanostructured Lipid Carrier (NLC) Dispersions
Authors: Makoni Pedzisai A. , Wa Kasongo Kasongo , Walker Roderick B.
Published: August 2019

The short term stability of efavirenz-loaded solid lipid nanoparticle and nanostructured lipid carrier dispersions was investigated. Hot High Pressure Homogenization with the capability for scale up production was successfully used to manufacture the nanocarriers without the use of toxic organic solvents for the first time. Glyceryl monostearate and Transcutol® HP were used as the solid and liquid lipids. Tween® 80 was used to stabilize the lipid nanocarriers. A Box-Behnken Design was used to identify the optimum operating and production conditions viz., 1100 bar for 3 cycles for the solid lipid nanoparticles and 1500 bar for 5 cycles for nanostructured lipid carriers. The optimized nanocarriers were predicted to exhibit 10% efavirenz loading with 3% and 4% Tween® 80 for solid lipid nanoparticles and nanostructured lipid carriers, respectively. Characterization of the optimized solid lipid nanoparticle and nanostructured lipid carrier formulations in relation to shape, surface morphology, polymorphism, crystallinity and compatibility revealed stable formulations with particle sizes in the nanometer range had been produced. The nanocarriers had excellent efavirenz loading with the encapsulation efficiency >90%. The optimized nanocarriers exhibited biphasic in vitro release patterns with an initial burst release during the initial 0–3 h followed by sustained release over a 24 h period The colloidal systems showed excellent stability in terms of Zeta potential, particle size, polydispersity index and encapsulation efficiency when stored for 8 weeks at 25 °C/60% RH in comparison to when stored at 40 °C/75% RH. The formulations manufactured using the optimized conditions and composition proved to be physically stable as aqueous dispersions.
Special Issue: Modeling and Simulation of Energy Systems
Authors: Adams Thomas A.
Published: August 2019

This editorial provides a brief overview of the Special Issue “Modeling and Simulation of Energy Systems.” This Special Issue contains 21 research articles describing some of the latest advances in energy systems engineering that use modeling and simulation as a key part of the problem-solving methodology. Although the specific computer tools and software chosen for the job are quite variable, the overall objectives are the same—mathematical models of energy systems are used to describe real phenomena and answer important questions that, due to the hugeness or complexity of the systems of interest, cannot be answered experimentally on the lab bench. The topics explored relate to the conceptual process design of new energy systems and energy networks, the design and operation of controllers for improved energy systems performance or safety, and finding optimal operating strategies for complex systems given highly variable and dynamic environments. Application areas include electric power generation, natural gas liquefaction or transportation, energy conversion and management, energy storage, refinery applications, heat and refrigeration cycles, carbon dioxide capture, and many others. The case studies discussed within this issue mostly range from the large industrial (chemical plant) scale to the regional/global supply chain scale.
Automatically Extracted Antarctic Coastline Using Remotely-Sensed Data: An Update
Authors: Yu Yining , Zhang Zhilun , Shokr Mohammed , Hui Fengming , Cheng Xiao , Chi Zhaohui , Heil Petra , Chen Zhuoqi
Published: August 2019

The temporal and spatial variability of the Antarctic coastline is a clear indicator of change in extent and mass balance of ice sheets and shelves. In this study, the Canny edge detector was utilized to automatically extract high-resolution information of the Antarctic coastline for 2005, 2010, and 2017, based on optical and microwave satellite data. In order to improve the accuracy of the extracted coastlines, we developed the Canny algorithm by automatically calculating the local low and high thresholds via the intensity histogram of each image to derive thresholds to distinguish ice sheet from water. A visual comparison between extracted coastlines and mosaics from remote sensing images shows good agreement. In addition, comparing manually extracted coastline, based on prior knowledge, the accuracy of planimetric position of automated extraction is better than two pixels of Landsat images (30 m resolution). Our study shows that the percentage of deviation (<100 m) between automatically and manually extracted coastlines in nine areas around the Antarctica is 92.32%, and the mean deviation is 38.15 m. Our results reveal that the length of coastline around Antarctica increased from 35,114 km in 2005 to 35,281 km in 2010, and again to 35,672 km in 2017. Meanwhile, the total area of the Antarctica varied slightly from 1.3618 × 107 km2 (2005) to 1.3537 × 107 km2 (2010) and 1.3657 × 107 km2 (2017). We have found that the decline of the Antarctic area between 2005 and 2010 is related to the breakup of some individual ice shelves, mainly in the Antarctic Peninsula and off East Antarctica. We present a detailed analysis of the temporal and spatial change of coastline and area change for the six ice shelves that exhibited the largest change in the last decade. The largest area change (a loss of 4836 km2) occurred at the Wilkins Ice Shelf between 2005 and 2010.