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https://www.readbyqxmd.com/read/29149736/graphene-oxide-reinforced-ionic-liquid-functionalized-adsorbent-for-solid-phase-extraction-of-phenolic-acids
#1
Xiudan Hou, Xiaofeng Lu, Sheng Tang, Licheng Wang, Yong Guo
An environmental friendly sorbent of polymeric ionic liquids modified graphene oxide-grafted silica (PILs@GO@Sil) was synthesized for solid-phase extraction (SPE) of phenolic acids. The sorbent was prepared via a chemical layer-to-layer fabrication including amidation reaction, surface radical chain-transfer polymerization and in situ anion exchange. After modification with PILs, the silica surface had higher positive potential so that it would exhibit stronger electrostatic interaction for acidic compounds compared with GO@Sil...
November 12, 2017: Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
https://www.readbyqxmd.com/read/29149726/protein-structure-based-drug-design-from-docking-to-molecular-dynamics
#2
REVIEW
Paweł Śledź, Amedeo Caflisch
Recent years have witnessed rapid developments of computer-aided drug design methods, which have reached accuracy that allows their routine practical applications in drug discovery campaigns. Protein structure-based methods are useful for the prediction of binding modes of small molecules and their relative affinity. The high-throughput docking of up to 10(6) small molecules followed by scoring based on implicit-solvent force field can robustly identify micromolar binders using a rigid protein target. Molecular dynamics with explicit solvent is a low-throughput technique for the characterization of flexible binding sites and accurate evaluation of binding pathways, kinetics, and thermodynamics...
November 14, 2017: Current Opinion in Structural Biology
https://www.readbyqxmd.com/read/29149719/tissue-specific-bioaccumulation-of-long-chain-perfluorinated-carboxylic-acids-and-halogenated-methylbipyrroles-in-dall-s-porpoises-phocoenoides-dalli-and-harbor-porpoises-phocoena-phocoena-stranded-in-northern-japan
#3
Yukiko Fujii, Yoshihisa Kato, Kentarou Sakamoto, Takashi Matsuishi, Harada H Kouji, Akio Koizumi, Osamu Kimura, Tetsuya Endo, Koichi Haraguchi
This study investigated accumulation of perfluoroalkyl substances (PFASs), persistent organochlorines (OCs), and naturally produced halogenated compounds (NHCs), including brominated methylbipyrroles and methoxylated bromodiphenyl ethers, in liver, blood, and blubber from Dall's porpoises (Phocoenoides dalli) and harbor porpoises (Phocoena phocoena) stranded in Hokkaido, northern Japan. Profiles of the PFASs were dominated by perfluoroundecanoic acid and perfluorotridecanoic acid, both of which accounted for 70% of the total measured PFAS concentrations in both porpoise species...
November 14, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/29149708/photodegradation-of-novel-oral-anticoagulants-under-sunlight-irradiation-in-aqueous-matrices
#4
Montaha Yassine, Laura Fuster, Marie-Hélène Dévier, Emmanuel Geneste, Patrick Pardon, Axelle Grélard, Erick Dufourc, Mohamad Al Iskandarani, Selim Aït-Aïssa, Jeanne Garric, Hélène Budzinski, Patrick Mazellier, Aurélien S Trivella
Kinetics of photodegradation of novel oral anticoagulants dabigatran, rivaroxaban, and apixaban were studied under simulated solar light irradiation in purified, mineral, and river waters. Dabigatran and rivaroxaban underwent direct photolysis with polychromatic quantum yields of 2.2 × 10(-4) and 4.4 × 10(-2), respectively. The direct photodegradation of apixaban was not observed after 19 h of irradiation. Kinetics of degradation of rivaroxaban was not impacted by the nature of the aqueous matrix while photosensitization from nitrate ions was observed for dabigatran and apixaban dissolved in a mineral water...
November 9, 2017: Chemosphere
https://www.readbyqxmd.com/read/29149664/copper-phospholipid-interaction-at-cell-membrane-model-hydrophobic-surfaces
#5
Marina Mlakar, Vlado Cuculić, Sanja Frka, Blaženka Gašparović
Detailed investigation of Cu (II) binding with natural lipid phosphatidylglycerol (PG) in aqueous solution was carried out by voltammetric measurements at the mercury drop electrode, complemented by monolayer studies in a Langmuir trough and electrophoretic measurements, all used as models for hydrophobic cell membranes. Penetration of copper ions into the PG layer was facilitated by the formation of hydrophilic Cu-Phenanthroline (Phen) complex in the subphase, followed by the mixed ligand Cu-Phen-PG complex formation at the hydrophobic interface...
November 11, 2017: Bioelectrochemistry
https://www.readbyqxmd.com/read/29149623/the-effect-of-surgical-approach-on-gait-mechanics-after-total-hip-arthroplasty
#6
Joseph Zeni, Kathleen Madara, Hunter Witmer, Riley Gerhardt, James Rubano
BACKGROUND: Few studies have compared the biomechanical outcomes of different surgical approaches for hip arthroplasty. The purpose of this study was to compare hip, pelvic, and trunk kinematics and kinetics between individuals who underwent a posterior or anterolateral approach. METHODS: Forty-five individuals between 40 and 80 years old underwent motion analysis during overground gait prior to hip arthroplasty and 3 months after surgery. Walking speed, hip flexion angle, hip extension angle, adduction angle and moment, trunk angle, trunk lean, and pelvis drop were compared between approaches...
November 10, 2017: Journal of Electromyography and Kinesiology
https://www.readbyqxmd.com/read/29149564/binding-thermodynamics-and-kinetics-calculations-using-chemical-host-and-guest-a-comprehensive-picture-of-molecular-recognition
#7
Zhiye Tang, Chia-En A Chang
Understanding the fine balance between changes of entropy and enthalpy and the competition between a guest and water molecules in molecular binding is crucial in fundamental studies and practical applications. Experiments provide measurements. However, illustrating the binding/unbinding processes gives a complete picture of molecular recognition not directly available from experiments, and computational methods bridge the gaps. Here, we investigated guest association/dissociation with β-cyclodextrin (β-CD) by using microsecond-timescale molecular dynamics (MD) simulations, post-analysis and numerical calculations...
November 17, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29149563/zein-nanoparticles-uptake-by-hydroponically-grown-soybean-plants
#8
Kurt Ristroph, Carlos E Astete, Ede Bodoki, Cristina M Sabliov
In the interest of developing and characterizing a polymeric nanoparticle pesticide delivery vehicle to soybeans, zein nanoparticle (ZNP) uptake by the roots and biodistribution to the leaves of soybean plants was measured. Zein was tagged with fluorescein isothiocyanate (FITC) and made into nanoparticles (135±3 nm diameter. 0.202±0.034 PDI and 81±4 mV zeta-potential at pH 6) using an emulsion-diffusion method. After ten days of hydroponic exposure, association between particles and roots of plants was found to vary based on bulk nanoparticle concentration...
November 17, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/29149553/cobalt-sulfide-quantum-dots-embedded-n-s-doped-carbon-nanosheets-with-superior-reversibility-and-rate-capability-for-sodium-ion-batteries
#9
Qiubo Guo, Yifan Ma, Tingting Chen, Qiuying Xia, Mei Yang, Hui Xia, Yan Yu
Metal sulfides are promising anode materials for sodium-ion batteries due to their large specific capacities. The practical application of metal sulfides in sodium-ion batteries, however, are still limited due to their large volume expansion, poor cycling stability, and sluggish electrode kinetics. In this work, a unique two-dimensional heterostructure of CoSx (CoS and Co9S8) quantum dots embedded N/S-doped carbon nanosheets (CoSx@NSC) is prepared by a facile sol-gel method. The CoSx quantum dots are in-situ formed within ultrafine carbon nanosheets without further sulfidation, thus resulting in ultrafine CoSx particle size and embedded heterostructure...
November 17, 2017: ACS Nano
https://www.readbyqxmd.com/read/29149380/psa-kinetics-following-primary-focal-cryotherapy-hemiablation-in-organ-confined-prostate-cancer-patients
#10
Michael Kongnyuy, Shahidul Islam, Alfred K Mbah, Daniel M Halpern, Glenn T Werneburg, Kaitlin E Kosinski, Connie Chen, David J Habibian, Jeffrey T Schiff, Anthony T Corcoran, Aaron E Katz
PURPOSE: We aim to evaluate prostate-specific antigen (PSA) trends in post-primary focal cryotherapy (PFC) patients. MATERIALS AND METHODS: This was an institutional review board-approved retrospective study of PFC patients from 2010 to 2015. Patients with at least one post-PFC PSA were included in the study. Biochemical recurrence (BCR) was determined using the Phoenix criteria. PSA bounce was also assessed. We analyzed rates of change of PSA over time of post-PFC between BCR and no BCR groups...
November 17, 2017: World Journal of Urology
https://www.readbyqxmd.com/read/29149347/signal-recognition-particle-binds-to-translating-ribosomes-before-emergence-of-a-signal-anchor-sequence
#11
Evan Mercier, Wolf Holtkamp, Marina V Rodnina, Wolfgang Wintermeyer
The bacterial signal recognition particle (SRP) is part of the machinery that targets ribosomes synthesizing membrane proteins to membrane-embedded translocons co-translationally. Recognition of nascent membrane proteins occurs by virtue of a hydrophobic signal-anchor sequence (SAS) contained in the nascent chain, usually at the N terminus. Here we use fluorescence-based stopped-flow to monitor SRP-ribosome interactions with actively translating ribosomes while an SRP substrate is synthesized and emerges from the peptide exit tunnel...
November 16, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29149327/focused-time-lapse-analysis-reveals-novel-aspects-of-human-fertilization-and-suggests-new-parameters-of-embryo-viability
#12
G Coticchio, M Mignini Renzini, P V Novara, M Lain, E De Ponti, D Turchi, R Fadini, M Dal Canto
STUDY QUESTION: Can focused application of time-lapse microscopy (TLM) lead to a more detailed map of the morphokinetics of human fertilization, revealing novel or neglected aspects of this process? SUMMARY ANSWER: Intensive harnessing of TLM reveals novel or previously poorly characterised phenomena of fertilization, such as a cytoplasmic wave (CW) preceding pronuclear formation and kinetics of pronuclear chromatin polarization, thereby suggesting novel non-invasive biomarkers of embryo quality...
November 15, 2017: Human Reproduction
https://www.readbyqxmd.com/read/29149203/alc1-chd1l-a-chromatin-remodeling-enzyme-is-required-for-efficient-base-excision-repair
#13
Masataka Tsuda, Kosai Cho, Masato Ooka, Naoto Shimizu, Reiko Watanabe, Akira Yasui, Yuka Nakazawa, Tomoo Ogi, Hiroshi Harada, Keli Agama, Jun Nakamura, Ryuta Asada, Haruna Fujiike, Tetsushi Sakuma, Takashi Yamamoto, Junko Murai, Masahiro Hiraoka, Kaoru Koike, Yves Pommier, Shunichi Takeda, Kouji Hirota
ALC1/CHD1L is a member of the SNF2 superfamily of ATPases carrying a macrodomain that binds poly(ADP-ribose). Poly(ADP-ribose) polymerase (PARP) 1 and 2 synthesize poly(ADP-ribose) at DNA-strand cleavage sites, promoting base excision repair (BER). Although depletion of ALC1 causes increased sensitivity to various DNA-damaging agents (H2O2, UV, and phleomycin), the role played by ALC1 in BER has not yet been established. To explore this role, as well as the role of ALC1's ATPase activity in BER, we disrupted the ALC1 gene and inserted the ATPase-dead (E165Q) mutation into the ALC1 gene in chicken DT40 cells, which do not express PARP2...
2017: PloS One
https://www.readbyqxmd.com/read/29149090/computational-methods-for-modeling-aptamers-and-designing-riboswitches
#14
REVIEW
Sha Gong, Yanli Wang, Zhen Wang, Wenbing Zhang
Riboswitches, which are located within certain noncoding RNA region perform functions as genetic "switches", regulating when and where genes are expressed in response to certain ligands. Understanding the numerous functions of riboswitches requires computation models to predict structures and structural changes of the aptamer domains. Although aptamers often form a complex structure, computational approaches, such as RNAComposer and Rosetta, have already been applied to model the tertiary (three-dimensional (3D)) structure for several aptamers...
November 17, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29149065/calcined-chitosan-supported-layered-double-hydroxides-an-efficient-and-recyclable-adsorbent-for-the-removal-of-fluoride-from-an-aqueous-solution
#15
Hanjun Wu, Huali Zhang, Qingxue Yang, Dongsheng Wang, Weijun Zhang, Xiaofang Yang
In this work, calcined chitosan-supported layered double hydroxides (CSLDO) were synthesized through a co-precipitation method that restrained the particles' aggregation of LDHs and exhibited huge specific surface areas, which can enhance the fluoride adsorption capacity. CSLDOs were characterized by physical and chemical methods and used for fluoride adsorption in an aqueous solution. The results indicated that the nanoparticles were constructed first and then assembled to form a porous and layered structure, and chitosan-supported layered double hydroxides (CSLDHs) calcined at 400 °C (CSLDO400) showed the highest specific surface area of 116...
November 17, 2017: Materials
https://www.readbyqxmd.com/read/29148891/hyperventilation-and-breath-holding-test-with-indocyanine-green-kinetics-predicts-cerebral-hyperperfusion-after-carotid-artery-stenting
#16
Ichiro Nakagawa, Shohei Yokoyama, Daisuke Wajima, Fumihiko Nishimura, Shuichi Yamada, Hiroshi Yokota, Yasushi Motoyama, Young Su Park, Takeshi Wada, Kimihiko Kichikawa, Hiroyuki Nakase
Cerebral hyperperfusion syndrome (CHS) is a serious complication following carotid artery stenting (CAS), but definitive early prediction of CHS has not been established. Here, we evaluated whether indocyanine green kinetics and near-infrared spectroscopy (ICG-NIRS) with hyperventilation (HV) and the breath-holding (BH) test can predict hyperperfusion phenomenon after CAS. The blood flow index (BFI) ratio during HV and BH was prospectively monitored using ICG-NIRS in 66 patients scheduled to undergo CAS. Preoperative cerebrovascular reactivity (CVR) and the postoperative asymmetry index (AI) were also assessed with single-photon emission computed tomography before and after CAS and the correlation with the BFI HV/rest ratio, BFI BH/rest ratio was evaluated...
January 1, 2017: Journal of Cerebral Blood Flow and Metabolism
https://www.readbyqxmd.com/read/29148804/a-nanobionic-light-emitting-plant
#17
Seon-Yeong Kwak, Juan Pablo Giraldo, Min Hao Wong, Volodymyr Koman, Tedrick Lew, Jon Ell, Mark Weidman, Rosalie Sinclair, Markita P Landry, William A Tisdale, Michael S Strano
The engineering of living plants for visible light emission and sustainable illumination is compelling because plants possess independent energy generation and storage mechanisms and autonomous self-repair. Herein, we demonstrate a plant nanobionic approach that enables exceptional luminosity and lifetime utilizing four chemically-interacting nanoparticles, including firefly luciferase conjugated silica (SNP-Luc), D-luciferin releasing poly(lactic-co-glycolic acid) (PLGA-LH2), coenzyme A functionalized chitosan (CS-CoA) and semiconductor nanocrystal phosphors for longer wavelength modulation...
November 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/29148796/layer-by-layer-self-assembly-of-polyelectrolytic-block-copolymer-worms-on-a-planar-substrate
#18
Nicholas Penfold, Andrew J Parnell, Marta Molina, Pierre Verstraete, Johan Smets, Steven P Armes
Cationic and anionic block copolymer worms are prepared by polymerization-induced self-assembly (PISA) via reversible addition-fragmentation chain transfer (RAFT) aqueous dispersion copolymerization of 2-hydroxypropyl methacrylate (HPMA) and glycidyl methacrylate (GlyMA), using a binary mixture of a non-ionic poly(ethylene oxide) (PEO) macromolecular RAFT agent and either a cationic poly([2-(methacryloyloxy)ethyl] trimethylammonium chloride) (PQDMA) or an anionic poly(potassium 3-sulfopropyl methacrylate) (PKSPMA) macromolecular RAFT agent...
November 17, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29148794/preparation-and-formation-process-of-zn-ii-coordinated-nanovesicles
#19
Wuxiao Ding, Naohiro Kameta, Hiroyuki Minamikawa, Mitsutoshi Masuda, Masaki Kogiso
Mixing a glycylglycine-lipid and zinc acetate has been reported to form novel supramolecular Zn(II)-coordinated nanovesicles in ethanol. In this study, we investigate in detail the formation of nanovesicles by using three lipids at different temperatures and discuss their formation process. The original lipids show extremely low solubilities and appear as plate structures in ethanol. Within a small window of lipid solubility, the formation of lipid-Zn(II) complexes occurs mainly on the solid surfaces of plate structures...
November 17, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29148774/the-atmospheric-oxidation-of-furan-and-methyl-substituted-furans-initiated-by-hydroxyl-radicals
#20
Yi Yuan, Xiaocan Zhao, Sainan Wang, Liming Wang
Atmospheric oxidation mechanism of furan and methyl furans (MFs) initiated by OH radicals is studied using high-level quantum chemistry and kinetic calculations. The reaction starts mainly with OH addition to C2/C5-position, forming highly chemically activated adduct radical R2*/R5*, which would either be stabilized by collision or promptly isomerize to R2B*/R5B* by breaking the C2-O/C5-O bond and then isomerize to other conformers of R2B/R5B by internal rotations. Under the atmospheric conditions, the ring-retaining radical R2/R5 would recombine with O2 and be converted to a 5-hydroxy-2-furanone compound and a compound containing epoxide, ester, and carbonyl functional groups, while the ring-opening radicals R2B/R5B would react with O2 and form unsaturated 1,4-dicarbonyl compounds...
November 17, 2017: Journal of Physical Chemistry. A
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