bluuebunny/crossref_metadata_2025 huggingface dataset:
Comparison of the Sulfonamide Inhibition Profiles of the α-Carbonic Anhydrase Isoforms (SpiCA1, SpiCA2 and SpiCA3) Encoded by the Genome of the Scleractinian Coral Stylophora pistillata
Authors: Del Prete Sonia , Bua Silvia , Alasmary Fatmah A. S. , AlOthman Zeid , Tambutté Sylvie , Zoccola Didier , Supuran Claudiu T. , Capasso Clemente
Published: March 2019

The ubiquitous metalloenzymes carbonic anhydrases (CAs, EC 4.2.1.1) are responsible for the reversible hydration of CO2 to bicarbonate (HCO3−) and protons (H+). Bicarbonate may subsequently generate carbonate used in many functional activities by marine organisms. CAs play a crucial role in several physiological processes, e.g., respiration, inorganic carbon transport, intra and extra-cellular pH regulation, and bio-mineralization. Multiple transcript variants and protein isoforms exist in the organisms. Recently, 16 α-CA isoforms have been identified in the coral Stylophora pistillata. Here, we focalized the interest on three coral isoforms: SpiCA1 and SpiCA2, localized in the coral-calcifying cells; and SpiCA3, expressed in the cytoplasm of the coral cell layers. The three recombinant enzymes were heterologously expressed and investigated for their inhibition profiles with sulfonamides and sulfamates. The three coral CA isoforms differ significantly in their susceptibility to inhibition with sulfonamides. This study provides new insights into the coral physiology and the comprehension of molecular mechanisms involved in the bio-mineralization processes, since CAs interact with bicarbonate transporters, accelerating the trans-membrane bicarbonate movement and modulating the pH at both sides of the plasma membranes.
High-Performance Thin-Layer Chromatography Hyphenated with Microchemical and Biochemical Derivatizations in Bioactivity Profiling of Marine Species
Authors: Agatonovic-Kustrin Snezana , Kustrin Ella , Gegechkori Vladimir , Morton David W.
Published: March 2019

Marine organisms produce an array of biologically active natural products, many of which have unique structures that have not been found in terrestrial organisms. Hence, marine algae provide a unique source of bioactive compounds. The present study investigated 19 marine algae and one seagrass collected from Torquay beach, Victoria, Australia. High-performance thin-layer chromatography (HPTLC) hyphenated with microchemical (DPPH•, p-anisaldehyde, and Fast Blue B) and biochemical (α-amylase and acetylcholine esterase (AChE) enzymatic) derivatizations was used to evaluate antioxidant activity, presence of phytosterols and phenolic lipids, α-amylase and AChE inhibitory activities of extract components. Significant α-amylase and AChE inhibitory activities were observed in samples 2, 6, 8 and 10. Antioxidant activities in the samples were found to be correlated to phytosterol content (R2 = 0.78), but was not found to be related to either α-amylase or AChE inhibitory activities. α-Amylase inhibitory activities were correlated to AChE inhibition (R2 = 0.77) and attributed to the phytosterol content, based on the similar peak position in the chromatograms with the β-sitosterol chromatogram. Samples 1, 8, and especially sample 20, were found to contain phenolic lipids (alkyl resorcinol derivatives) with significant antioxidant activities. The results suggest that these marine species have a significant number of bioactive compounds that warrant further investigation.
Mitragyna speciosa: Clinical, Toxicological Aspects and Analysis in Biological and Non-Biological Samples
Authors: Meireles Vânia , Rosado Tiago , Barroso Mário , Soares Sofia , Gonçalves Joana , Luís Ângelo , Caramelo Débora , Simão Ana Y. , Fernández Nicolás , Duarte Ana Paula , Gallardo Eugenia
Published: March 2019

The abuse of psychotropic substances is a well-known phenomenon, and many of them are usually associated with ancestral traditions and home remedies. This is the case of Mitragyna speciosa (kratom), a tropical tree used to improve work performance and to withstand great heat. According to several published studies, the main reasons for kratom consumption involve improving sexual performance and endurance, but also social and recreational uses for the feeling of happiness and euphoria; it is also used for medical purposes as a pain reliever, and in the treatment of diarrhea, fever, diabetes, and hypertension. However, this plant has gained more popularity amongst young people over the last years. Since it is available on the internet for purchase, its use is now widely as a drug of abuse, namely as a new psychoactive substance, being a cheaper alternative to opioids that does not require medical prescription in most countries. According to internet surveys by the European Monitoring Centre for Drugs and Drug Addiction in 2008 and 2011, kratom was one of the most widely supplied new psychoactive substances. The composition of kratom is complex; in fact, more than 40 different alkaloids have been identified in Mitragyna speciosa so far, the major constituent being mitragynine, which is exclusive to this plant. Besides mitragynine, alkaloids such as corynantheidine and 7-hydroxamitragynine also present pharmacological effects, a feature that may be attributed to the remaining constituents as well. The main goal of this review is not only to understand the origin, chemistry, consumption, and analytical methodologies for analysis and mechanism of action, but also the use of secondary metabolites of kratom as therapeutic drugs and the assessment of potential risks associated with its consumption, in order to aid health professionals, toxicologists, and police authorities in cases where this plant is present.
Microbial Population Changes and Their Relationship with Human Health and Disease
Authors: Álvarez-Mercado Ana Isabel , Navarro-Oliveros Miguel , Robles-Sánchez Cándido , Plaza-Díaz Julio , Sáez-Lara María José , Muñoz-Quezada Sergio , Fontana Luis , Abadía-Molina Francisco
Published: March 2019

Specific microbial profiles and changes in intestinal microbiota have been widely demonstrated to be associated with the pathogenesis of a number of extra-intestinal (obesity and metabolic syndrome) and intestinal (inflammatory bowel disease) diseases as well as other metabolic disorders, such as non-alcoholic fatty liver disease and type 2 diabetes. Thus, maintaining a healthy gut ecosystem could aid in avoiding the early onset and development of these diseases. Furthermore, it is mandatory to evaluate the alterations in the microbiota associated with pathophysiological conditions and how to counteract them to restore intestinal homeostasis. This review highlights and critically discusses recent literature focused on identifying changes in and developing gut microbiota-targeted interventions (probiotics, prebiotics, diet, and fecal microbiota transplantation, among others) for the above-mentioned pathologies. We also discuss future directions and promising approaches to counteract unhealthy alterations in the gut microbiota. Altogether, we conclude that research in this field is currently in its infancy, which may be due to the large number of factors that can elicit such alterations, the variety of related pathologies, and the heterogeneity of the population involved. Further research on the effects of probiotics, prebiotics, or fecal transplantations on the composition of the human gut microbiome is necessary.
Fracture Fillings and Implication of Fluid Activities in Volcanic Rocks: Dixi Area in Kelameili Gas Field, Junggar Basin, Northwestern China
Authors: Feng Mingyou , Liu Tian , Lin Tong , Liu Xiaohong , Li Ningxin , Xi Aihua
Published: March 2019

The Carboniferous Batamayineishan Formation of the Kelameili Gas Field is a specific weathered crust-related volcanic reservoir that has a significant production rate in the Junggar Basin, Northwestern China, attributed to debatable processes of fluid evolution. The results suggest that various types of fluids occurring in volcanic rocks lead to the filling of quartz and calcite in fractures and their associated alteration haloes. The silica that formed quartz veins was mainly derived from deep hydrothermal fluids, while the carbon dioxide that formed calcite veins originated from sources characterized by mixing and alteration of deep hydrothermal and hydrocarbon fluids. Siliceous hydrothermal fluids rich in sulphur dioxide and other volatile components were driven by a pressure gradient and buoyancy, and circulated both laterally and vertically along the fractures, forming quartz veins and tension fractures under different temperature conditions. Moreover, changes in salinity, pressure, and carbon dioxide of deep fluids, varying from acidic to weakly alkaline, resulted in earlier calcite precipitation in contraction fractures and weathered fractures. Tectonic uplift resulted in the long-term exposure of volcanic rocks, where fresh water mixed with the partially alkaline fluid escaping the basin to form calcite cements, thus retaining the characteristics of a seepage environment in the weathered fractures. Structural fractures occurred due to tectonic movements during the burial period. Filling and leakage of hydrocarbons caused pore fluids to convert from acidic to alkaline, precipitating late sparry calcite in dissolution fractures. Late hydrothermal fluid metasomatism, brought about by infiltration into the permeable zone, caused partial dissolution of local calcite along cleavage cracks.
Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy
Authors: Long Fengqin , Chen Zheng , Han Keli , Zhang Lu , Zhuang Wei
Published: March 2019

Intermediates lie at the center of chemical reaction mechanisms. However, detecting intermediates in an organic reaction and understanding its role in reaction mechanisms remains a big challenge. In this paper, we used the theoretical calculations to explore the potential of the electron-vibration-vibration two-dimensional infrared (EVV-2DIR) spectroscopy in detecting the intermediates in the oxidation reactions of enamines and tautomerizable imines with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO). We show that while it is difficult to identify the intermediates from their infrared and Raman signals, the simulated EVV-2DIR spectra of these intermediates have well resolved spectral features, which are absent in the signals of reactants and products. These characteristic spectral signatures can, therefore, be used to reveal the reaction mechanism as well as monitor the reaction progress. Our work suggests the potential strength of EVV-2DIR technique in studying the molecular mechanism of organic reactions in general.
Sterile and Dual-Porous Aerogels Scaffolds Obtained through a Multistep Supercritical CO2-Based Approach
Authors: Santos-Rosales Víctor , Ardao Inés , Alvarez-Lorenzo Carmen , Ribeiro Nilza , Oliveira Ana L. , García-González Carlos A.
Published: March 2019

Aerogels from natural polymers are endowed with attractive textural and biological properties for biomedical applications due to their high open mesoporosity, low density, and reduced toxicity. Nevertheless, the lack of macroporosity in the aerogel structure and of a sterilization method suitable for these materials restrict their use for regenerative medicine purposes and prompt the research on getting ready-to-implant dual (macro + meso)porous aerogels. In this work, zein, a family of proteins present in materials for tissue engineering, was evaluated as a sacrificial porogen to obtain macroporous starch aerogels. This approach was particularly advantageous since it could be integrated in the conventional aerogel processing method without extra leaching steps. Physicochemical, morphological, and mechanical characterization were performed to study the effect of porogen zein at various proportions (0:1, 1:2, and 1:1 zein:starch weight ratio) on the properties of the obtained starch-based aerogels. From a forward-looking perspective for its clinical application, a supercritical CO2 sterilization treatment was implemented for these aerogels. The sterilization efficacy and the influence of the treatment on the aerogel final properties were evaluated mainly in terms of absence of microbial growth, cytocompatibility, as well as physicochemical, structural, and mechanical modifications.
Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds
Authors: Luxenburger Andreas , Schmidt Dorian , Ianes Chiara , Pichlo Christian , Krüger Marc , von Drathen Thorsten , Brunstein Elena , Gainsford Graeme J. , Baumann Ulrich , Knippschild Uwe , Peifer Christian
Published: March 2019

In this study, we report on the modification of a 3,4-diaryl-isoxazole-based CK1 inhibitor with chiral pyrrolidine scaffolds to develop potent and selective CK1 inhibitors. The pharmacophore of the lead structure was extended towards the ribose pocket of the adenosine triphosphate (ATP) binding site driven by structure-based drug design. For an upscale compatible multigram synthesis of the functionalized pyrrolidine scaffolds, we used a chiral pool synthetic route starting from methionine. Biological evaluation of key compounds in kinase and cellular assays revealed significant effects of the scaffolds towards activity and selectivity, however, the absolute configuration of the chiral moieties only exhibited a limited effect on inhibitory activity. X-ray crystallographic analysis of ligand-CK1δ complexes confirmed the expected binding mode of the 3,4-diaryl-isoxazole inhibitors. Surprisingly, the original compounds underwent spontaneous Pictet-Spengler cyclization with traces of formaldehyde during the co-crystallization process to form highly potent new ligands. Our data suggests chiral “ribose-like” pyrrolidine scaffolds have interesting potential for modifications of pharmacologically active compounds.
Characterization and Structure–Property Relationships of Organic–Inorganic Hybrid Composites Based on Aluminum–Magnesium Hydroxycarbonate and Azo Chromophore
Authors: Marzec Anna , Szadkowski Bolesław , Rogowski Jacek , Maniukiewicz Waldemar , Zaborski Marian
Published: March 2019

In this study, novel organic–inorganic composites were prepared by the complexation of dicarboxylic azo dye (AD) with aluminum–magnesium hydroxycarbonate (AlMg–LH). This procedure provides an effective method for the stabilization of dicarboxylic organic chromophores on an AlMg−LH host. The structures of the hybrid composites were examined by X-ray diffraction (XRD), secondary ion mass spectrometry (TOF-SIMS), 27-Al solid-state nuclear magnetic resonance (NMR) spectroscopy, thermogravimetric analysis (TGA) and scanning transmission electron microscopy (STEM). The TOF-SIMS method was applied to investigate the metal–dye interactions and to monitor the thermal stability of the organic–inorganic complexes. Secondary ion mass spectrometry confirmed the presence of a characteristic peak for C18H10O5N2Mg22+, indicating that both carboxylic groups interacted with AlMg−LH by forming complexes with two Mg2+ ions. Modification with hybrid pigments affected the crystal structure of the AlMg−LH mineral, as shown by the appearance of new peaks on the X-ray diffraction patterns. Adsorption of the dicarboxylic chromophore not only led to significantly enhanced solvent resistance but also improved the thermal and photostability of the hybrid pigments. We propose a possible arrangement of the azo dye in the inorganic matrix, as well as the presumed mechanism of stabilization.
APE-Gen: A Fast Method for Generating Ensembles of Bound Peptide-MHC Conformations
Authors: Abella Jayvee R. , Antunes Dinler A. , Clementi Cecilia , Kavraki Lydia E.
Published: March 2019

The Class I Major Histocompatibility Complex (MHC) is a central protein in immunology as it binds to intracellular peptides and displays them at the cell surface for recognition by T-cells. The structural analysis of bound peptide-MHC complexes (pMHCs) holds the promise of interpretable and general binding prediction (i.e., testing whether a given peptide binds to a given MHC). However, structural analysis is limited in part by the difficulty in modelling pMHCs given the size and flexibility of the peptides that can be presented by MHCs. This article describes APE-Gen (Anchored Peptide-MHC Ensemble Generator), a fast method for generating ensembles of bound pMHC conformations. APE-Gen generates an ensemble of bound conformations by iterated rounds of (i) anchoring the ends of a given peptide near known pockets in the binding site of the MHC, (ii) sampling peptide backbone conformations with loop modelling, and then (iii) performing energy minimization to fix steric clashes, accumulating conformations at each round. APE-Gen takes only minutes on a standard desktop to generate tens of bound conformations, and we show the ability of APE-Gen to sample conformations found in X-ray crystallography even when only sequence information is used as input. APE-Gen has the potential to be useful for its scalability (i.e., modelling thousands of pMHCs or even non-canonical longer peptides) and for its use as a flexible search tool. We demonstrate an example for studying cross-reactivity.
Design of an Amphiphilic Poly(aspartamide)-Mediated Self-Assembled Nanoconstruct for Long-Term Tumor Targeting and Bioimaging
Authors: Cherukula Kondareddy , Uthaman Saji , Park In-Kyu
Published: March 2019

Biodegradable polymers have been developed for the targeted delivery of therapeutics to tumors. However, tumor targeting and imaging are usually limited by systemic clearance and non-specific adsorption. In this study, we used poly(amino acid) derivatives, such as poly(succinimide), to synthesize a nanomicelle-forming poly(hydroxyethylaspartamide) (PHEA, P) modified sequentially with octadecylamine, polyethylene glycol (PEG, P), and glycine (G) to design PHEA-PEG-glycine (PPG) nanoparticles (NPs). These PPG NPs were further tethered to cyclic Arg-Gly-Asp (cRGD) sequences for formulating tumor-targeting PPG-cRGD NPs, and then loaded with IR-780 dye (PPG-cRGD-IR-780) for visualizing tumor homing. cRGD cloaked in PPG NPs could bind specifically to both tumor endothelium and cancer cells overexpressing αvβ3 integrins. PPG-cRGD NPs exhibited enhanced physiological stability, cellular viability, and targeted intracellular uptake in cancer cells. In addition, PPG-cRGD NPs offered enhanced systemic circulation, leading to preferential tumor targeting and prolonged fluorescence tumor imaging for nearly 30 days. Nevertheless, non-targeted formulations demonstrated premature systemic clearance with short-term tumor imaging. Histochemical analysis showed no damage to normal organs, reaffirming the biocompatibility of PHEA polymers. Overall, our results indicated that PPG-cRGD NPs, which were manipulated to obtain optimal particle size and surface charge, and were complemented with tumor targeting, could improve the targeted and theranostic potential of therapeutic delivery.
Morphology and Molecular Identification of Twelve Commercial Varieties of Kiwifruit
Authors: Xie Qiaoli , Zhang Hongbo , Yan Fei , Yan Chunxia , Wei Shuguang , Lai Jianghua , Wang Yunpeng , Zhang Bao
Published: March 2019

The quality and safety of food are important guarantees for the health and legal rights of consumers. As an important special fruitcrop, there are frequently shoddy practices in the kiwifruit (Actinidia chinensis) market, which harms the interests of consumers. However, there is lack of rapid and accurate identification methods for commercial kiwifruit varieties. Here, twelve common commercial varieties of kiwifruit were morphologically discriminated. DNA barcodes of chloroplast regions psbA-trnH, rbcL, matK, rpoB, rpoC1, ycf1b, trnL and rpl32_trnL(UAG), the nuclear region At103 and intergenic region ITS2 were amplified. Divergences and phylogenetic trees were used to analyze the phylogenetic relationship of these twelve commercial kiwifruit varieties. The results showed that matK, ITS2 and rpl32_trnL(UAG) can be utilized as molecular markers to identify CuiYu, JinYan, HuangJinGuo, ChuanHuangJin, HuaYou, YaTe, XuXiang and HongYang. This provides experimental and practical basis to scientifically resolve kiwifruit-related judicial disputes and legal trials.
Isolation and Purification of Bioactive Compounds from the Stem Bark of Jatropha podagrica
Authors: Minh Truong Ngoc , Xuan Tran Dang , Tran Hoang-Dung , Van Truong Mai , Andriana Yusuf , Khanh Tran Dang , Quan Nguyen Van , Ahmad Ateeque
Published: March 2019

This paper reports the successive isolation and purification of bioactive compounds from the stem bark of Jatropha podagrica, a widely known medicinal plant. The ethyl acetate extract of the stem bark exhibited the strongest antioxidant activity assessed by 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging, and ferric reducing antioxidant power (FRAP) assays (IC50 = 46.7, 66.0, and 492.6, respectively). By column chromatography (CC) with elution of hexane and ethyl acetate at 8:2, 7:3, and 6:4 ratios, the isolation of this active extract yielded five fractions (C1–C5). Chemical structures of the constituents included in C1–C5 were elucidated by gas chromatography-mass spectrometry (GC-MS), electrospray ionization-mass spectrometry (ESI-MS), and nuclear magnetic resonance (NMR) and resolved as methyl gallate (C1, C2, C3, C4), gallic acid (C1, C2), fraxetin (C2, C3, C4, C5), and tomentin (C3). Mixture C2 (IC50 DPPH and ABTS = 2.5 µg/mL) and C3 (IC50 FRAP = 381 µg/mL) showed the highest antioxidant properties. Among the isolated fractions, C4 was the most potential agent in growth inhibition of six bacterial strains including Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Listeria monocytogenes, Bacillus subtilis, and Proteus mirabilis (MIC = 5, 20, 30, 20, 25, and 20 mg/mL, respectively). All identified constituents exerted an inhibitory activity on the growth of Lactuca sativa, of which the mixture C3 performed the maximal inhibition on shoot (IC50 = 49.4 µg/mL) and root (IC50 = 47.1 µg/mL) growth. Findings of this study suggest that gallic acid, methyl gallate, fraxetin, and tomentin isolated from J. podagrica possessed antioxidant, antibacterial, and growth inhibitory potentials.
Machine Learning Analyses on Data including Essential Oil Chemical Composition and In Vitro Experimental Antibiofilm Activities against Staphylococcus Species
Authors: Patsilinakos Alexandros , Artini Marco , Papa Rosanna , Sabatino Manuela , Božović Mijat , Garzoli Stefania , Vrenna Gianluca , Buzzi Raissa , Manfredini Stefano , Selan Laura , Ragno Rino
Published: March 2019

Biofilm resistance to antimicrobials is a complex phenomenon, driven not only by genetic mutation induced resistance, but also by means of increased microbial cell density that supports horizontal gene transfer across cells. The prevention of biofilm formation and the treatment of existing biofilms is currently a difficult challenge; therefore, the discovery of new multi-targeted or combinatorial therapies is growing. The development of anti-biofilm agents is considered of major interest and represents a key strategy as non-biocidal molecules are highly valuable to avoid the rapid appearance of escape mutants. Among bacteria, staphylococci are predominant causes of biofilm-associated infections. Staphylococci, especially Staphylococcus aureus (S. aureus) is an extraordinarily versatile pathogen that can survive in hostile environmental conditions, colonize mucous membranes and skin, and can cause severe, non-purulent, toxin-mediated diseases or invasive pyogenic infections in humans. Staphylococcus epidermidis (S. epidermidis) has also emerged as an important opportunistic pathogen in infections associated with medical devices (such as urinary and intravascular catheters, orthopaedic implants, etc.), causing approximately from 30% to 43% of joint prosthesis infections. The scientific community is continuously looking for new agents endowed of anti-biofilm capabilities to fight S. aureus and S epidermidis infections. Interestingly, several reports indicated in vitro efficacy of non-biocidal essential oils (EOs) as promising treatment to reduce bacterial biofilm production and prevent the inducing of drug resistance. In this report were analyzed 89 EOs with the objective of investigating their ability to modulate bacterial biofilm production of different S. aureus and S. epidermidis strains. Results showed the assayed EOs to modulated the biofilm production with unpredictable results for each strain. In particular, many EOs acted mainly as biofilm inhibitors in the case of S. epidermidis strains, while for S. aureus strains, EOs induced either no effect or stimulate biofilm production. In order to elucidate the obtained experimental results, machine learning (ML) algorithms were applied to the EOs’ chemical compositions and the determined associated anti-biofilm potencies. Statistically robust ML models were developed, and their analysis in term of feature importance and partial dependence plots led to indicating those chemical components mainly responsible for biofilm production, inhibition or stimulation for each studied strain, respectively.
Fatty Acid, Lipid Classes and Phospholipid Molecular Species Composition of the Marine Clam Meretrix lyrata (Sowerby 1851) from Cua Lo Beach, Nghe An Province, Vietnam
Authors: Tran Quoc Toan , Le Thi Thanh Tra , Pham Minh Quan , Do Tien Lam , Vu Manh Hung , Nguyen Duy Chinh , Bach Long Giang , Bui Le Minh , Pham Quoc Long
Published: March 2019

This study aims to analyze compositions of fatty acids and phospholipid molecular species in the hard clams Meretrix lyrata (Sowerby, 1851) harvested from Cua Lo beach, Nghe An province, Viet Nam. Total lipid of hard clams Meretrix lyrata occupied 1.7 ± 0.2% of wet weight and contained six classes: hydrocarbon and wax (HW), triacylglycerol (TAG), free fatty acids (FFA), sterol (ST), polar lipid (PoL), and monoalkyl diacylglycerol (MADAG). Among the constituents, the proportion of PoL accounted was highest, at 45.7%. In contrast, the figures for MADAG were lowest, at 1.3%. Twenty-six fatty acids were identified with the ratios of USAFA/SAFA was 2. The percentage of n-3 PUFA (ω-3) and n-6 PUFA (ω-6) was high, occupying 38.4% of total FA. Among PUFAs, arachidonic acid (AA, 20:4n-6), eicosapentaenoic acid (EPA, 20:5n-3), docosapentaenoic acid (DPA, 22:5n-3), and docosahexaenoic acid (DHA, 22:6n-3) accounted for 3.8%, 7.8%, 2.2% and 12.0% of total lipid of the clam respectively. Phospholipid molecular species were identified in polar lipids of the clams consisting six types: phosphatidylethalnolamine (PE, with 28 molecular species), phosphatidylcholine (PC, with 26 molecular species), phosphatidylserine (PS, with 18 molecular species), phosphatidylinositol (PI, with 10 molecular species), phosphatidylglycerol (PG, with only one molecular species), and ceramide aminoethylphosphonate (CAEP, with 15 molecular species). This is the first time that the molecular species of sphingophospholipid were determined, in Meretrix lyrata in particular, and for clams in general. Phospholipid formula species of PE and PS were revealed to comprise two kinds: Alkenyl acyl glycerophosphoethanolamine and Alkenyl acyl glycerophosphoserine occupy 80.3% and 81.0% of total PE and PS species, respectively. In contrast, the percentage of diacyl glycero phosphatidylcholine was twice as high as that of PakCho in total PC, at 69.3, in comparison with 30.7%. In addition, phospholipid formula species of PI and PG comprised only diacyl glycoro phospholipids. PE 36:1 (p18:0/18:1), PC 38:6 (16:0/22:6), PS 38:1 (p18:0/20:1), PI 40:5 (20:1/20:4), PG 32:0 (16:0/16:0) and CAEP 34:2 (16:2/d18:0) were the major molecular species.
High Density Static Charges Governed Surface Activation for Long-Range Motion and Subsequent Growth of Au Nanocrystals
Authors: Chen Guoxin , Guo Changjin , Cheng Yao , Lu Huanming , Cui Junfeng , Hu Wanbiao , Jiang Rongrong , Jiang Nan
Published: March 2019

How a heavily charged metal nanocrystal, and further a dual-nanocrystals system behavior with continuous electron charging? This refers to the electric dynamics in charged particles as well as the crystal growth for real metal particles, but it is still opening in experimental observations and interpretations. To this end, we performed an in-situ electron-beam irradiation study using transmission electron microscopy (TEM) on the Au nanocrystals that freely stand on the nitride boron nanotube (BNNT). Au nanocrystalline particles with sizes of 2–4 nm were prepared by a well-controlled sputtering method to stand on the BNNT surface without chemical bonding interactions. Au nanoparticles presented the surface atomic disorder, diffusion phenomena with continuous electron-beam irradiation, and further, the long-range motion that contains mainly the three stages: charging, activation, and adjacence, which are followed by final crystal growth. Firstly, the growth process undergoes the lattice diffusion and subsequently the surface-dominated diffusion mechanism. These abnormal phenomena and observations, which are fundamentally distinct from classic cases and previous reports, are mainly due to the overcharging of Au nanoparticle that produces a surface activation state in terms of high-energy plasma. This work therefore brings about new observations for both a single and dual-nanocrystals system, as well as new insights in understanding the resulting dynamics behaviors.
The Effects of Reduced Graphene Oxide Flakes in the Dielectric on Electrical Discharge Machining
Authors: Świercz Rafał , Oniszczuk-Świercz Dorota
Published: March 2019

Electrical discharge machining (EDM) is a nonconventional technology that is frequently used in manufacturing for difficult-to-cut conductive materials. Drawbacks to using EDM include the resulting surface roughness and integrity. One of the recent innovations for improving surface integrity with EDM is the use of a powder mixed dielectric. The aim of this study is to analyze the influence of having reduced graphene oxide (RGO) in the dielectric on the ionization of the plasma channel and the dispersion of electrical discharges. The main goal is to improve the surface integrity of the tool steel 55NiCrMoV7 during finishing machining. To achieve this goal, an experimental investigation was carried out to establish the smallest possible values of discharge current and pulse time at which it is possible to initiate an electric discharge, which causes material removal. Next, the effect of the direction of the electric discharges (electrode polarity) and the concentration (percentage) of RGO in the dielectric on surface integrity was investigated. The results of this experiment indicate that during EDM with RGO, the discharges are dispersed on the RGO flakes. This leads to a multiplication of the discharges during a single pulse, and this strongly affects the surface integrity. The obtained results indicate that it is possible to reduce surface roughness and thickness of the recast layer by approximately 2.5 times compared with conventional EDM.
Photocatalytic Decomposition of Gaseous HCHO over Ag Modified TiO2 Nanosheets at Ambient Temperature
Authors: Jiang Xueding , Xu Weicheng , Yu Lian
Published: March 2019

Ag nanoparticles loaded onto TiO2 nanosheets with exposed {001} facets were synthesized by solvothermal hydrolysis and photoreduction deposition methods. The results suggested that Ag NPs were uniformly dispersed on the surface of anatase TiO2 NSs with a metallic state. The Raman scattering and visible light absorption performances of Ag/TiO2 NSs were enhanced by Ag NPs due to their surface plasmon resonance effect. Photocatalytic oxidation experiments for HCHO were carried out under visible light, and the enhanced photocatalytic activity of Ag/TiO2 NSs can be attributed to the synergistic effects of the following factors: (1) the {001} facets, which possessed higher surface energy, showed higher photocatalytic activity; (2) the Ag NPs, the increased oxygen vacancies, and O2 adsorption on {001} facets can trap photoelectrons, thus inhibiting the recombination of photoelectrons and holes; (3) the Ag NPs can extend the light response range of TiO2 into visible light. The in situ FTIR results showed that higher mineralization efficiency of HCHO was achieved on Ag/TiO2 NSs than on Ag/TiO2 NPs. Additionally, the mechanism for HCHO photocatalytic oxidation was also discussed.
Synthesis and Morphology Control of Nanoporous Cu2O/Cu and Their Application as Electrode Materials for Capacitors
Authors: Li Yuanwei , Zhao Xueyang , Liu Hui , Li Wei , Wang Xiaojian
Published: March 2019

In this paper, nanoporous copper (NPC) was prepared by dealloying ZrCuAl metallic glass ribbons with HF acid solutions. The effect of dealloying time on the porous structures and thickness of the obtained NPC films was investigated. It was found that the ligament sizes of the NPC could be tuned in a range from 20 to 300 nm, and the thicknesses of the NPC films from 3.1 to 14.4 μm, with properly selected dealloying times. Furthermore, nanoporous composites made of NPC and nanoporous Cu2O were prepared by oxidizing the NPC with ethanol. The nanoporous composite electrodes exhibited superior charge-discharge performance and would have broad potential applications in flexible high-performance energy storage devices.
Raman Imaging of Nanocarriers for Drug Delivery
Authors: Vanden-Hehir Sally , Tipping William J. , Lee Martin , Brunton Valerie G. , Williams Anna , Hulme Alison N.
Published: March 2019

The efficacy of pharmaceutical agents can be greatly improved through nanocarrier delivery. Encapsulation of pharmaceutical agents into a nanocarrier can enhance their bioavailability and biocompatibility, whilst also facilitating targeted drug delivery to specific locations within the body. However, detailed understanding of the in vivo activity of the nanocarrier-drug conjugate is required prior to regulatory approval as a safe and effective treatment strategy. A comprehensive understanding of how nanocarriers travel to, and interact with, the intended target is required in order to optimize the dosing strategy, reduce potential off-target effects, and unwanted toxic effects. Raman spectroscopy has received much interest as a mechanism for label-free, non-invasive imaging of nanocarrier modes of action in vivo. Advanced Raman imaging techniques, including coherent anti-Stokes Raman scattering (CARS) and stimulated Raman scattering (SRS), are paving the way for rigorous evaluation of nanocarrier activity at the single-cell level. This review focuses on the development of Raman imaging techniques to study organic nanocarrier delivery in cells and tissues.
Electrochemically Stable Cobalt–Zinc Mixed Oxide/Hydroxide Hierarchical Porous Film Electrode for High-Performance Asymmetric Supercapacitor
Authors: Yang Hanbin , Zhu Xinqiang , Zhu Enhui , Lou Gaobo , Wu Yatao , Lu Yingzhuo , Wang Hanyu , Song Jintao , Tao Yingjie , Pei Gu , Chu Qindan , Chen Hao , Ma Zhongqing , Song Pingan , Shen Zhehong
Published: March 2019

Construction of electrochemically stable positive materials is still a key challenge to accomplish high rate performance and long cycling life of asymmetric supercapacitors (ASCs). Herein, a novel cobalt–zinc mixed oxide/hydroxide (CoZn-MOH) hierarchical porous film electrode was facilely fabricated based on a cobalt–zinc-based metal–organic framework for excellent utilization in ASC. The as-constructed hierarchical porous film supported on conductive Ni foam possesses a rough surface and abundant macropores and mesopores, which allow fast electron transport, better exposure of electrochemically active sites, and facile electrolyte access and ion diffusion. Owing to these structural merits in collaboration, the CoZn-MOH electrode prepared with a zinc feeding ratio up to 45% at 110 min of heating time (CoZn-MOH-45-110) exhibited a high specific capacitance of 380.4 F·g−1, remarkable rate capability (83.6% retention after 20-fold current increase), and outstanding cycling performances (96.5% retention after 10,000 cycles), which exceed the performances of similar active electrodes. Moreover, an ASC based on this CoZn-MOH-45-110 electrode exhibited a high specific capacitance of 158.8 F·g−1, an impressive energy density of 45.8 Wh·kg−1, superior rate capability (83.1% retention after 50-fold current increase), and satisfactory cycling stability (87.9% capacitance retention after 12,000 cycles).
Facile Strategy for the Synthesis of Gold@Silica Hybrid Nanoparticles with Controlled Porosity and Janus Morphology
Authors: Santana Vega Marina , Guerrero Martínez Andrés , Cucinotta Fabio
Published: March 2019

Hybrid materials prepared by encapsulation of plasmonic nanoparticles in porous silica systems are of increasing interest due to their high chemical stability and applications in optics, catalysis and biological sensing. Particularly promising is the possibility of obtaining gold@silica nanoparticles (Au@SiO2 NPs) with Janus morphology, as the induced anisotropy can be further exploited to achieve selectivity and directionality in physical interactions and chemical reactivity. However, current methods to realise such systems rely on the use of complex procedures based on binary solvent mixtures and varying concentrations of precursors and reaction conditions, with reproducibility limited to specific Au@SiO2 NP types. Here, we report a simple one-pot protocol leading to controlled crystallinity, pore order, monodispersity, and position of gold nanoparticles (AuNPs) within mesoporous silica by the simple addition of a small amount of sodium silicate. Using a fully water-based strategy and constant content of synthetic precursors, cetyl trimethylammonium bromide (CTAB) and tetraethyl orthosilicate (TEOS), we prepared a series of four silica systems: (A) without added silicate, (B) with added silicate, (C) with AuNPs and without added silicate, and (D) with AuNPs and with added silicate. The obtained samples were characterised by transmission electron microscopy (TEM), small angle X-ray scattering (SAXS), and UV-visible spectroscopy, and kinetic studies were carried out by monitoring the growth of the silica samples at different stages of the reaction: 1, 10, 15, 30 and 120 min. The analysis shows that the addition of sodium silicate in system B induces slower MCM-41 nanoparticle (MCM-41 NP) growth, with consequent higher crystallinity and better-defined hexagonal columnar porosity than those in system A. When the synthesis was carried out in the presence of CTAB-capped AuNPs, two different outcomes were obtained: without added silicate, isotropic mesoporous silica with AuNPs located at the centre and radial pore order (C), whereas the addition of silicate produced Janus-type Au@SiO2 NPs (D) in the form of MCM-41 and AuNPs positioned at the silica–water interface. Our method was nicely reproducible with gold nanospheres of different sizes (10, 30, and 68 nm diameter) and gold nanorods (55 × 19 nm), proving to be the simplest and most versatile method to date for the realisation of Janus-type systems based on MCM-41-coated plasmonic nanoparticles.
Self-Powered Well-Aligned P(VDF-TrFE) Piezoelectric Nanofiber Nanogenerator for Modulating an Exact Electrical Stimulation and Enhancing the Proliferation of Preosteoblasts
Authors: Wang Aochen , Hu Ming , Zhou Liwei , Qiang Xiaoyong
Published: March 2019

Electric potential plays an indispensable role in tissue engineering and wound healing. Piezoelectric nanogenerators based on direct piezoelectric effects can be self-powered energy sources for electrical stimulation and have attracted extensive attention. However, the accuracy of piezoelectric stimuli on piezoelectric polymers membranes in vitro during the dynamic condition is rarely studied. Here, a self-powered tunable electrical stimulation system for assisting the proliferation of preosteoblasts was achieved by well-aligned P(VDF-TrFE) piezoelectric nanofiber membrane (NFM) both as a nanogenerator (NG) and as a scaffold. The effects of electrospinning and different post-treatments (annealing and poling) on the surface wettability, piezoelectric β phase, ferroelectric properties, and sensing performance of NFMs were evaluated here. The polarized P(VDF-TrFE) NFM offered an enhanced piezoelectric value (d31 of 22.88 pC/N) versus pristine P(VDF-TrFE) NFM (d31 of 0.03 pC/N) and exhibited good sensing performance. The maximum voltage and current output of the P(VDF-TrFE) piezoelectric nanofiber NGs reached −1.7 V and 41.5 nA, respectively. An accurate electrical response was obtained in real time under dynamic mechanical stimulation by immobilizing the NGs on the flexible bottom of the culture plate, thereby restoring the real scene of providing electrical stimulation to the cells in vitro. In addition, we simulated the interaction between the piezoelectric nanofiber NG and cells through an equivalent circuit model. To verify the feasibility of P(VDF-TrFE) nanofiber NGs as an exact electrical stimulation, the effects of different outputs of P(VDF-TrFE) nanofiber NGs on cell proliferation in vitro were compared. The study realized a significant enhancement of preosteoblasts proliferation. This work demonstrated the customizability of P(VDF-TrFE) piezoelectric nanofiber NG for self-powered electrical stimulation system application and suggested its significant potential application for tissue repair and regeneration.
Oral Glutamine Supplementation Reduces Obesity, Pro-Inflammatory Markers, and Improves Insulin Sensitivity in DIO Wistar Rats and Reduces Waist Circumference in Overweight and Obese Humans
Authors: Abboud Kahlile Youssef , Reis Sabrina Karen , Martelli Maria Eduarda , Zordão Olivia Pizetta , Tannihão Fabiana , de Souza Alessandra Zanin Zambom , Assalin Heloisa Balan , Guadagnini Dioze , Rocha Guilherme Zweig , Saad Mario Jose Abdalla , Prada Patricia Oliveira
Published: March 2019

In the present study, we aimed to investigate whether chronic oral glutamine (Gln) supplementation may alter metabolic parameters and the inflammatory profile in overweight and obese humans as well as whether Gln may modulate molecular pathways in key tissues linked to the insulin action in rats. Thirty-nine overweight/obese volunteers received 30 g of Gln or alanine (Ala-control) for 14 days. Body weight (BW), waist circumference (WC), hormones, and pro-inflammatory markers were evaluated. To investigate molecular mechanisms, Gln or Ala was given to Wistar rats on a high-fat diet (HFD), and metabolic parameters, euglycemic hyperinsulinemic clamp with tracers, and Western blot were done. Gln reduced WC and serum lipopolysaccharide (LPS) in overweight volunteers. In the obese group, Gln diminished WC and serum insulin. There was a positive correlation between the reduction on WC and LPS. In rats on HFD, Gln reduced adiposity, improved insulin action and signaling, and reversed both defects in glucose metabolism in the liver and muscle. Gln supplementation increased muscle glucose uptake and reversed the increased hepatic glucose production, in parallel with a reduced glucose uptake in adipose tissue. This insulin resistance in AT was accompanied by enhanced IRS1 O-linked-glycosamine association in this tissue, but not in the liver and muscle. These data suggest that Gln supplementation leads to insulin resistance specifically in adipose tissue via the hexosamine pathway and reduces adipose mass, which is associated with improvement in the systemic insulin action. Thus, further investigation with Gln supplementation should be performed for longer periods in humans before prescribing as a beneficial therapeutic approach for individuals who are overweight and obese.
Dietary Polyphenols Protect Against Oleic Acid-Induced Steatosis in an in Vitro Model of NAFLD by Modulating Lipid Metabolism and Improving Mitochondrial Function
Authors: Rafiei Hossein , Omidian Kosar , Bandy Brian
Published: March 2019

In this study, we aimed to determine the relative effectiveness of common dietary polyphenols or the isoquinoline alkaloid berberine in protecting against molecular mechanisms underlying non-alcoholic fatty liver disease (NAFLD) involving changes to cellular lipid metabolism and bioenergetics. In a model of steatosis using HepG2 hepatocytes, exposure of the cells to 1.5 mM oleic acid (OA) for 24 h caused steatosis and distorted cell morphology, induced the expression of mRNA for enzymes that are involved in lipogenesis and fatty acid oxidation (FAS and CPT1A), and impaired indices of aerobic energy metabolism (PPARγ mRNA expression, mitochondrial membrane potential (MMP), and galactose-supported ATP production). Co-treatment with 10 µM of selected polyphenols all strongly protected against the steatosis and changes in cell morphology. All polyphenols, except cyanidin, inhibited the effects on FAS and PPARγ and further increased CPT1A1 expression, suggesting a shift toward increased β-oxidation. Resveratrol, quercetin, catechin, and cyanidin, however not kuromanin or berberine, ameliorated the decreases in MMP and galactose-derived ATP. Berberine was unique in worsening the decrease in galactose-derived ATP. In further investigations of the mechanisms involved, resveratrol, catechin, and berberine increased SIRT1 enzyme activity and p-AMPKαThr172 protein, which are involved in mitochondrial biogenesis. In conclusion, selected polyphenols all protected against steatosis with similar effectiveness, however through different mechanisms that increased aerobic lipid metabolism and mitochondrial function.
Association between Neonatal Whole Blood Iron Content and Cytokines, Adipokines, and Other Immune Response Proteins
Authors: Thorsen Steffen U. , Pipper Christian B. , Ellervik Christina , Pociot Flemming , Kyvsgaard Julie N. , Svensson Jannet
Published: March 2019

(1) Background: High iron associates with inflammation and type 1 diabetes (T1D). Iron is essential not only for neonatal development but also for infectious microorganisms. The neonatal immune system is immature, and innate immunity prevails before immunocompetence develops. (2) Methods: In 398 newborns from the Danish Newborn Screening Biobank, we examined if whole blood iron (WB-Iron) content were associated with cytokines, adipokines, C-reactive protein (CRP), and mannose-binding lectin (MBL) in non-infected healthy neonates, and if these associations differed in newborns who later developed T1D (cases) (n = 199). WB-Iron was quantified using laser ablation inductively coupled plasma mass spectrometry on the neonatal dried blood spots. For each analyte, the relative change (RC) in the mean level was modeled by robust log-normal regression. (3) Results: A one unit increase in neonatal WB-Iron was associated with a 38% decrease in mean interleukin (IL)-6 levels (0.62; 95% CI: 0.40–0.95, p = 0.03), and a 37% decrease in mean MBL levels (0.63; 95% CI: 0.41–0.95, p = 0.03), but was not statistically significant after correction for multiple testing. (4) Conclusions: In summary, we found that higher neonatal WB-iron content was inversely associated with IL-6 and MBL, which may increase susceptibility to infections.
Recent Progress on Ge/SiGe Quantum Well Optical Modulators, Detectors, and Emitters for Optical Interconnects
Authors: Chaisakul Papichaya , Vakarin Vladyslav , Frigerio Jacopo , Chrastina Daniel , Isella Giovanni , Vivien Laurent , Marris-Morini Delphine
Published: March 2019

Germanium/Silicon-Germanium (Ge/SiGe) multiple quantum wells receive great attention for the realization of Si-based optical modulators, photodetectors, and light emitters for short distance optical interconnects on Si chips. Ge quantum wells incorporated between SiGe barriers, allowing a strong electro-absorption mechanism of the quantum-confined Stark effect (QCSE) within telecommunication wavelengths. In this review, we respectively discuss the current state of knowledge and progress of developing optical modulators, photodetectors, and emitters based on Ge/SiGe quantum wells. Key performance parameters, including extinction ratio, optical loss, swing bias voltages, and electric fields, and modulation bandwidth for optical modulators, dark currents, and optical responsivities for photodetectors, and emission characteristics of the structures will be presented.