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Frontiers in Chemistry

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https://www.readbyqxmd.com/read/29780800/redox-reaction-triggered-nanomotors-based-on-soft-oxometalates-with-high-and-sustained-motility
#1
Apabrita Mallick, Abhrajit Laskar, R Adhikari, Soumyajit Roy
The recent interest in self-propulsion raises an immediate challenge in facile and single-step synthesis of active particles. Here, we address this challenge and synthesize soft oxometalate nanomotors that translate ballistically in water using the energy released in a redox reaction of hydrazine fuel with the soft-oxometalates. Our motors reach a maximum speed of 370 body lengths per second and remain motile over a period of approximately 3 days. We report measurements of the speed of a single motor as a function of the concentration of hydrazine...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29780799/mixing-time-inversion-and-multiple-emulsion-formation-in-a-limonene-and-water-pickering-emulsion
#2
Laura Sawiak, Katherine Bailes, David Harbottle, Paul S Clegg
It has previously been demonstrated that particle-stabilized emulsions comprised of limonene, water and fumed silica particles exhibit complex emulsification behavior as a function of composition and the duration of the emulsification step. Most notably the system can invert from being oil-continuous to being water-continuous under prolonged mixing. Here we investigate this phenomenon experimentally for the regime where water is the majority liquid. We prepare samples using a range of different emulsification times and we examine the final properties in bulk and via confocal microscopy...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29774211/3d-printed-e-tongue
#3
Gabriel Gaál, Tatiana A da Silva, Vladimir Gaál, Rafael C Hensel, Lucas R Amaral, Varlei Rodrigues, Antonio Riul
Nowadays, one of the biggest issues addressed to electronic sensor fabrication is the build-up of efficient electrodes as an alternative way to the expensive, complex and multistage processes required by traditional techniques. Printed electronics arises as an interesting alternative to fulfill this task due to the simplicity and speed to stamp electrodes on various surfaces. Within this context, the Fused Deposition Modeling 3D printing is an emerging, cost-effective and alternative technology to fabricate complex structures that potentiates several fields with more creative ideas and new materials for a rapid prototyping of devices...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29765939/comparing-the-relative-interfacial-affinity-of-soft-colloids-with-different-crosslinking-densities-in-pickering-emulsions
#4
Man-Hin Kwok, To Ngai
Pickering emulsions prepared by various kinds of soft colloids such as the poly( N -isopropylacrylamide) (PNIPAM)-based microgels, have been studied for decades in order to fabricate stimuli-responsive emulsions. It has been generally viewed that the interfacial properties of the microgel monolayers and the emulsion stability are dominated by the softness or deformability of the microgel particles. However, there is still no convenient way to characterize the adsorption/desorption energy of the microgels at the interface although this is an essential topic for microgel-stabilized emulsions...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29765938/utilizing-benzotriazole-and-indacenodithiophene-units-to-construct-both-polymeric-donor-and-small-molecular-acceptors-to-realize-organic-solar-cells-with-high-open-circuit-voltages-beyond-1-2-v
#5
Ailing Tang, Fan Chen, Bo Xiao, Jing Yang, Jianfeng Li, Xiaochen Wang, Erjun Zhou
Devolopment of organic solar cells with high open-circuit voltage ( V OC ) and power conversion efficiency (PCE) simutaniously plays a significant role, but there is no guideline how to choose the suitable photovoltaic material combinations. In our previous work, we developed "the Same-Acceptor-Strategy" (SAS), by utilizing the same electron-accepting segment to construct both polymeric donor and small molecular acceptor. In this study, we further expend SAS to use both the same electron-accepting and electron-donating units to design the material combination...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29765937/conceptual-dft-study-of-the-local-chemical-reactivity-of-the-colored-bisarg-melanoidin-and-its-protonated-derivative
#6
Juan Frau, Daniel Glossman-Mitnik
This computational study assessed eight fixed RSH (range-separated hybrid) density functionals that include CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and ωB97XD related to the Def2TZVP basis sets together with the SMD solvation model in the calculation the molecular structure and reactivity properties of the BISARG intermediate melanoidin pigment (5-(2-(E)-(Z)-5-[(2-furyl)methylidene]-3-(4-acetylamino-4-carboxybutyl)-2-imino-1,3-dihydroimidazol-4-ylideneamino(E)-4-[(2-furyl)methylidene]-5-oxo-1H-imidazol-1-yl)-2-acetylaminovaleric acid) and its protonated derivative, BISARG(p)...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29761099/mechanically-robust-and-thermally-stable-colorful-superamphiphobic-coatings
#7
Ning Tian, Penglin Zhang, Junping Zhang
Colorful super anti-wetting coatings are receiving growing attention, but are challenging to invent. Here, we report a general method for preparing mechanically robust and thermally stable colorful superamphiphobic coatings. A composite of palygorskite (PAL) nanorods and iron oxide red (IOR) was prepared by solid-state grinding or hydrothermal reaction, which was then modified by hydrolytic condensation of silanes to form a suspension. Superamphiphobic coatings were prepared by spray-coating the suspension onto substrates...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29761098/discovery-of-natural-products-as-novel-and-potent-fxr-antagonists-by-virtual-screening
#8
Yanyan Diao, Jing Jiang, Shoude Zhang, Shiliang Li, Lei Shan, Jin Huang, Weidong Zhang, Honglin Li
Farnesoid X receptor (FXR) is a member of nuclear receptor family involved in multiple physiological processes through regulating specific target genes. The critical role of FXR as a transcriptional regulator makes it a promising target for diverse diseases, especially those related to metabolic disorders such as diabetes and cholestasis. However, the underlying activation mechanism of FXR is still a blur owing to the absence of proper FXR modulators. To identify potential FXR modulators, an in-house natural product database (NPD) containing over 4,000 compounds was screened by structure-based virtual screening strategy and subsequent hit-based similarity searching method...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755973/identification-of-loop-d-domain-amino-acids-in-the-human-aquaporin-1-channel-involved-in-activation-of-the-ionic-conductance-and-inhibition-by-aqb011
#9
Mohamad Kourghi, Michael L De Ieso, Saeed Nourmohammadi, Jinxin V Pei, Andrea J Yool
Aquaporins are integral proteins that facilitate the transmembrane transport of water and small solutes. In addition to enabling water flux, mammalian Aquaporin-1 (AQP1) channels activated by cyclic GMP can carry non-selective monovalent cation currents, selectively blocked by arylsulfonamide compounds AqB007 (IC50 170 μM) and AqB011 (IC50 14 μM). In silico models suggested that ligand docking might involve the cytoplasmic loop D (between AQP1 transmembrane domains 4 and 5), but the predicted site of interaction remained to be tested...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755972/lignocellulosic-biomass-transformations-via-greener-oxidative-pretreatment-processes-access-to-energy-and-value-added-chemicals
#10
REVIEW
Walter Den, Virender K Sharma, Mengshan Lee, Govind Nadadur, Rajender S Varma
Anthropogenic climate change, principally induced by the large volume of carbon dioxide emission from the global economy driven by fossil fuels, has been observed and scientifically proven as a major threat to civilization. Meanwhile, fossil fuel depletion has been identified as a future challenge. Lignocellulosic biomass in the form of organic residues appears to be the most promising option as renewable feedstock for the generation of energy and platform chemicals. As of today, relatively little bioenergy comes from lignocellulosic biomass as compared to feedstock such as starch and sugarcane, primarily due to high cost of production involving pretreatment steps required to fragment biomass components via disruption of the natural recalcitrant structure of these rigid polymers; low efficiency of enzymatic hydrolysis of refractory feedstock presents a major challenge...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755971/impact-of-increasing-levels-of-oxygen-consumption-on-the-evolution-of-color-phenolic-and-volatile-compounds-of-nebbiolo-wines
#11
Maurizio Petrozziello, Fabrizio Torchio, Federico Piano, Simone Giacosa, Maurizio Ugliano, Antonella Bosso, Luca Rolle
Since the end of the last century, many works have been carried out to verify the effect of controlled oxygen intake on the chemical and organoleptic characteristics of red wines. In spite of the large number of studies on this subject, oxygen remains a cutting-edge research topic in oenology. Oxygen consumption leads to complex and not univocal changes in wine composition, sometimes positive such as color stabilization, softening of mouthfeel, increase of aroma complexity. However, the variability of these effects, which depend both on the oxygenation conditions and the composition of the wine, require more efforts in this research field to effectively manage wine oxygen exposure...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755970/how-to-achieve-better-results-using-pass-based-virtual-screening-case-study-for-kinase-inhibitors
#12
Pavel V Pogodin, Alexey A Lagunin, Anastasia V Rudik, Dmitry A Filimonov, Dmitry S Druzhilovskiy, Mark C Nicklaus, Vladimir V Poroikov
Discovery of new pharmaceutical substances is currently boosted by the possibility of utilization of the Synthetically Accessible Virtual Inventory (SAVI) library, which includes about 283 million molecules, each annotated with a proposed synthetic one-step route from commercially available starting materials. The SAVI database is well-suited for ligand-based methods of virtual screening to select molecules for experimental testing. In this study, we compare the performance of three approaches for the analysis of structure-activity relationships that differ in their criteria for selecting of "active" and "inactive" compounds included in the training sets...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755969/evaluation-of-fluorine-18-labeled-%C3%AE-1-i-n-telopeptide-analogs-as-substrate-based-radiotracers-for-pet-imaging-of-melanoma-associated-lysyl-oxidase
#13
Manuela Kuchar, Christin Neuber, Birgit Belter, Ralf Bergmann, Jens Lenk, Robert Wodtke, Torsten Kniess, Jörg Steinbach, Jens Pietzsch, Reik Löser
Accumulating evidence suggests an unequivocal role of lysyl oxidases as key players of tumor progression and metastasis, which renders this enzyme family highly attractive for targeted non-invasive functional imaging of tumors. Considering their function in matrix remodeling, malignant melanoma appears as particularly interesting neoplasia in this respect. For the development of radiotracers that enable PET imaging of the melanoma-associated lysyl oxidase activity, substrates derived from the type I collagen α1 N-telopeptide were labeled with fluorine-18 using N -succinimidyl 4-[18 F]fluorobenzoate ([18 F]SFB) as prosthetic reagent...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755968/exploring-the-interaction-mechanism-between-cyclopeptide-dc3-and-androgen-receptor-using-molecular-dynamics-simulations-and-free-energy-calculations
#14
Huimin Zhang, Tianqing Song, Yizhao Yang, Chenggong Fu, Jiazhong Li
Androgen receptor (AR) is a key target in the discovery of anti-PCa (Prostate Cancer) drugs. Recently, a novel cyclopeptide Diffusa Cyclotide-3 (DC3), isolated from Hedyotisdiffusa , has been experimentally demonstrated to inhibit the survival and growth of LNCap cells, which typically express T877A-mutated AR, the most frequently detected point mutation of AR in castration-resistant prostate cancer (CRPC). But the interaction mechanism between DC3 and AR is not clear. Here in this study we aim to explore the possible binding mode of DC3 to T877A-mutated AR from molecular perspective...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755967/metal-mediated-halogen-exchange-in-aryl-and-vinyl-halides-a-review
#15
REVIEW
Gwilherm Evano, Antoine Nitelet, Pierre Thilmany, Damien F Dewez
Halogenated arenes and alkenes are of prime importance in many areas of science, especially in the pharmaceutical, agrochemical, and chemical industries. While the simplest ones are commercially available, some of them are still hardly accessible depending on their substitution patterns and the nature of the halogen atom. Reactions enabling the selective and efficient replacement of the halogen atom of an aryl or alkenyl halide by another one, lighter, or heavier, are therefore of major importance since they can be used for example to turn a less reactive aryl/alkenyl chloride into the more reactive iodinated derivatives or, in a reversed sense, to block an undesired reactivity, for late-stage modifications or for the introduction of a radionuclide...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29755966/n-s-co-doped-carbon-derived-from-cotton-as-high-performance-anode-materials-for-lithium-ion-batteries
#16
Jiawen Xiong, Qichang Pan, Fenghua Zheng, Xunhui Xiong, Chenghao Yang, Dongli Hu, Chunlai Huang
Highly porous carbon with large surface areas is prepared using cotton as carbon sources which derived from discard cotton balls. Subsequently, the sulfur-nitrogen co-doped carbon was obtained by heat treatment the carbon in presence of thiourea and evaluated as Lithium-ion batteries anode. Benefiting from the S, N co-doping, the obtained S, N co-doped carbon exhibits excellent electrochemical performance. As a result, the as-prepared S, N co-doped carbon can deliver a high reversible capacity of 1,101.1 mA h g-1 after 150 cycles at 0...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29740577/solid-contact-potentiometric-sensors-and-multisensors-based-on-polyaniline-and-thiacalixarene-receptors-for-the-analysis-of-some-beverages-and-alcoholic-drinks
#17
REVIEW
Michail Sorvin, Svetlana Belyakova, Ivan Stoikov, Rezeda Shamagsumova, Gennady Evtugyn
Electronic tongue is a sensor array that aims to discriminate and analyze complex media like food and beverages on the base of chemometrics approaches for data mining and pattern recognition. In this review, the concept of electronic tongue comprising of solid-contact potentiometric sensors with polyaniline and thacalix[4]arene derivatives is described. The electrochemical reactions of polyaniline as a background of solid-contact sensors and the characteristics of thiacalixarenes and pillararenes as neutral ionophores are briefly considered...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29740576/monitoring-the-phenolic-ripening-of-red-grapes-using-a-multisensor-system-based-on-metal-oxide-nanoparticles
#18
Celia Garcia-Hernandez, Cristina Medina-Plaza, Cristina Garcia-Cabezon, Yolanda Blanco, Jose A Fernandez-Escudero, Enrique Barajas-Tola, Miguel A Rodriguez-Perez, Fernando Martin-Pedrosa, Maria L Rodriguez-Mendez
The maturity of grapes is usually monitored by means of the sugar concentration. However, the assessment of other parameters such as the phenolic content is also important because the phenolic maturity has an important impact on the organoleptic characteristics of wines. In this work, voltammetric sensors able to detect phenols in red grapes have been developed. They are based on metal oxide nanoparticles (CeO2 , NiO, and TiO2 ,) whose excellent electrocatalytic properties toward phenols allows obtaining sensors with detection limits in the range of 10-8 M and coefficients of variation lower than 7%...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29740575/hydroxybenzoic-acid-derivatives-as-dual-target-ligands-mitochondriotropic-antioxidants-and-cholinesterase-inhibitors
#19
Catarina Oliveira, Fernando Cagide, José Teixeira, Ricardo Amorim, Lisa Sequeira, Francesco Mesiti, Tiago Silva, Jorge Garrido, Fernando Remião, Santiago Vilar, Eugenio Uriarte, Paulo J Oliveira, Fernanda Borges
Alzheimer's disease (AD) is a multifactorial age-related disease associated with oxidative stress (OS) and impaired cholinergic transmission. Accordingly, targeting mitochondrial OS and restoring cholinergic transmission can be an effective therapeutic strategy toward AD. Herein, we report for the first time dual-target hydroxybenzoic acid (HBAc) derivatives acting as mitochondriotropic antioxidants and cholinesterase (ChE) inhibitors. The studies were performed with two mitochondriotropic antioxidants AntiOxBEN 1 (catechol derivative), and AntiOxBEN 2 (pyrogallol derivative) and compounds 15-18 , which have longer spacers...
2018: Frontiers in Chemistry
https://www.readbyqxmd.com/read/29740574/two-step-thermochemical-cellulose-hydrolysis-with-partial-neutralization-for-glucose-production
#20
James Kong-Win Chang, Xavier Duret, Véronique Berberi, Hassan Zahedi-Niaki, Jean-Michel Lavoie
Cellulose hydrolysis processes using concentrated acid usually involve two steps in order to obtain high glucose yields. The first step (pre-treatment) decrystallizes cellulose while the second step (post-hydrolysis) converts the amorphous cellulose to glucose. The two-step process developed by the Industrial Research Chair on Cellulosic Ethanol and Biocommodities and its industrial partner CRB Innovations Inc., includes an intermediate partial neutralization step, whose purpose is to decrease the amount of dilution water to be added for post-hydrolysis thus minimizing handling costs...
2018: Frontiers in Chemistry
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