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https://www.readbyqxmd.com/read/29036918/regulation-of-the-electroanalytical-performance-of-ultrathin-titanium-dioxide-nanosheets-toward-lead-ions-by-non-metal-doping
#1
Junping Zhang, Jianjun Liao, Fan Yang, Ming Xu, Shiwei Lin
Three non-metallic elements, sulfur, fluorine, and iodine, were used to dope the ultrathin two-dimensional TiO₂ nanosheets, which would regulate their electroanalytical properties toward heavy metal ions. Among these doped materials, fluorine-doped TiO₂ nanosheets shows the highest electrochemical sensitivity and a superior detection limit toward Pb(II) when the doping concentration is 10%. When compared with the bare TiO₂ nanosheets, the sensitivity increased by 102%, and the detection limit decreased by 36...
October 14, 2017: Nanomaterials
https://www.readbyqxmd.com/read/29036376/the-mechanism-and-high-free-energy-transition-state-of-lac-repressor-lac-operator-interaction
#2
Rituparna Sengupta, Michael W Capp, Irina A Shkel, M Thomas Record
Significant, otherwise-unavailable information about mechanisms and transition states (TS) of protein folding and binding is obtained from solute effects on rate constants. Here we characterize TS for lac repressor(R)-lac operator(O) binding by analyzing effects of RO-stabilizing and RO-destabilizing solutes on association (ka) and dissociation (kd) rate constants. RO-destabilizing solutes (urea, KCl) reduce ka comparably (urea) or more than (KCl) they increase kd, demonstrating that they destabilize TS relative to reactants and RO, and that TS exhibits most of the Coulombic interactions between R and O...
October 3, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29036273/scoop-an-accurate-and-fast-predictor-of-protein-stability-curves-as-a-function-of-temperature
#3
Fabrizio Pucci, Jean Marc Kwasigroch, Marianne Rooman
Motivation: The molecular bases of protein stability remain far from elucidated even though substantial progress has been made through both computational and experimental investigations. One of the most challenging goals is the development of accurate prediction tools of the temperature dependence of the standard folding free energy Δ G ( T ). Such predictors have an enormous series of potential applications, which range from drug design in the biopharmaceutical sector to the optimization of enzyme activity for biofuel production...
June 26, 2017: Bioinformatics
https://www.readbyqxmd.com/read/29036146/effects-of-a-modulated-vortex-structure-on-the-diffraction-dynamics-of-ring-airy-gaussian-beams
#4
Xianwei Huang, Xiaohui Shi, Zhixiang Deng, Yanfeng Bai, Xiquan Fu
The evolution of the ring Airy Gaussian beams with a modulated vortex in free space is numerically investigated. Compared with the unmodulated vortex, the unique property is that the beam spots first break up, and then gather. The evolution of the beams is influenced by the parameters of the vortex modulation, and the splitting phenomenon gets enhanced with multiple rings becoming light spots if the modulation depth increases. The symmetric branch pattern of the beam spots gets changed when the number of phase folds increases, and the initial modulation phase only impacts the angle of the beam spots...
September 1, 2017: Journal of the Optical Society of America. A, Optics, Image Science, and Vision
https://www.readbyqxmd.com/read/29035889/inhibition-of-suicidal-erythrocyte-death-by-volasertib
#5
Abdulla Al Mamun Bhuyan, A K M Ashiqul Haque, Itishri Sahu, Hang Cao, Michael S D Kormann, Florian Lang
BACKGROUND/AIMS: The Polo-like kinase 1 (Plk1) inhibitor volasertib is used in the treatment of malignancy. Volasertib is partially effective by triggering suicidal death or apoptosis of tumor cells. Similar to apoptosis of nucleated cells, erythrocytes may enter suicidal cell death or eryptosis, which is characterized by cell membrane scrambling with phosphatidylserine translocation to the cell surface and by cell shrinkage. Stimulators of eryptosis include energy depletion, hyperosmotic shock, oxidative stress and excessive increase of cytosolic Ca2+ activity ([Ca2+]i)...
October 16, 2017: Cellular Physiology and Biochemistry
https://www.readbyqxmd.com/read/29035797/effects-of-gac-layer-on-the-performance-of-gravity-driven-membrane-filtration-gdm-system-for-rainwater-recycling
#6
An Ding, Jinlong Wang, Dachao Lin, Rong Zeng, Shengping Yu, Zhendong Gan, Nanqi Ren, Guibai Li, Heng Liang
Gravity-driven membrane filtration (GDM) is promising for decentralized rainwater recycling, owing to low maintenance and energy consumption. However, the organic removal by GDM process is sometimes undesirable and the quality of the permeate cannot meet the standard of water reuse. To improve this, granular activate carbon (GAC) was added as a particle layer on the membrane surface of GDM system. Additionally, a system with sand addition and a system with no particle addition were trialed as comparisons, to study the combined effects of particle hindering and adsorption on the removal efficacy of organics and the development of permeate flux...
October 7, 2017: Chemosphere
https://www.readbyqxmd.com/read/29035795/can-poly-parameter-linear-free-energy-relationships-pp-lfers-improve-modelling-bioaccumulation-in-fish
#7
Shizhen Zhao, Kevin C Jones, Andrew J Sweetman
A wide range of studies have characterized different types of biosorbent, with regard to their interactions with chemicals. This has resulted in the development of poly-parameter linear free energy relationships (pp-LFERs) for the estimation of partitioning of neutral organic compounds to biological phases (e.g., storage lipids, phospholipids and serum albumins). The aims of this study were to explore and evaluate the influence of implementing pp-LFERs both into a one-compartment fish model and a multi-compartment physiologically based toxicokinetic (PBTK) fish model and the associated implications for chemical risk assessment...
October 3, 2017: Chemosphere
https://www.readbyqxmd.com/read/29035794/role-of-adsorption-in-combined-membrane-fouling-by-biopolymers-coexisting-with-inorganic-particles
#8
Xu-di Chen, Zhi Wang, Dan-Yang Liu, Kang Xiao, Jing Guan, Yuefeng F Xie, Xiao-Mao Wang, T David Waite
This study was conducted in order to obtain a better understanding of the combined fouling by biopolymers coexisting with inorganic particles from the aspects of fouling index, fouling layer structure and biopolymer-particle interactions. Calcium alginate was used as the model biopolymer and Fe2O3, Al2O3, kaolin, and SiO2 were used as model inorganic particles. Results showed that the combined fouling differed greatly among the four types of inorganic particles. The differences were attributed particularly to the different adsorption capacities for calcium alginate by the particles with this capacity decreasing in the order of Fe2O3, Al2O3, kaolin and SiO2...
September 29, 2017: Chemosphere
https://www.readbyqxmd.com/read/29035767/life-cycle-energy-impacts-for-adapting-an-urban-water-supply-system-to-droughts
#9
Ka Leung Lam, Jennifer R Stokes-Draut, Arpad Horvath, Joe L Lane, Steven J Kenway, Paul A Lant
In recent years, cities in some water stressed regions have explored alternative water sources such as seawater desalination and potable water recycling in spite of concerns over increasing energy consumption. In this study, we evaluate the current and future life-cycle energy impacts of four alternative water supply strategies introduced during a decade-long drought in South East Queensland (SEQ), Australia. These strategies were: seawater desalination, indirect potable water recycling, network integration, and rainwater tanks...
October 9, 2017: Water Research
https://www.readbyqxmd.com/read/29035735/transcriptome-profiling-identifies-genes-pathways-associated-with-experimental-resistance-to-paromomycin-in-leishmania-donovani
#10
Aditya Verma, Vasundhra Bhandari, Deepak Kumar Deep, Shyam Sundar, Jean Claude Dujardin, Ruchi Singh, Poonam Salotra
Widespread resistance towards antimony and reports of relapses following miltefosine treatment has severely affected the management of visceral leishmaniasis (VL) in the Indian subcontinent. Paromomycin (PMM), an aminoglycoside antibiotic, has been licensed for VL treatment in India in 2007. Although its use is still restricted in the field, unraveling the molecular mechanism of resistance towards PMM is the key to preserve the drug. In this study, PMM resistant lines were selected up to 100 μM of PMM in three distinct field isolates of Leishmania donovani at promastigote stage...
October 10, 2017: International Journal for Parasitology, Drugs and Drug Resistance
https://www.readbyqxmd.com/read/29035723/raloxifene-reduces-the-risk-of-local-alveolar-bone-destruction-in-a-mouse-model-of-periodontitis-combined-with-systemic-postmenopausal-osteoporosis
#11
Ryota Ichimaru, Tsukasa Tominari, Shosei Yoshinouchi, Chiho Matsumoto, Kenta Watanabe, Michiko Hirata, Yukihiro Numabe, Gillian Murphy, Hideaki Nagase, Chisato Miyaura, Masaki Inada
OBJECTIVE: Periodontitis is characterized by local inflammation leading to tooth loss and severe destruction of alveolar bone. Raloxifene is a selective estrogen receptor modulator (SERM) that halts estrogen deficiency-induced systemic bone loss in postmenopausal osteoporosis without the side effects of cancer in breast and uterus. In this study, we examined the effects of raloxifene on alveolar bone mass in a mouse model with estrogen deficiency-induced periodontitis. METHODS: Periodontitis was induced by the injection of lipopolysaccharide (LPS) into the lower gingiva in ovariectomized (OVX) mice, and the alveolar bone and femur bone mineral density (BMD) were analyzed by dual-energy X-ray absorptiometry...
September 29, 2017: Archives of Oral Biology
https://www.readbyqxmd.com/read/29035572/maintaining-and-enhancing-diversity-of-sampled-protein-conformations-in-robotics-inspired-methods
#12
Jayvee R Abella, Mark Moll, Lydia E Kavraki
The ability to efficiently sample structurally diverse protein conformations allows one to gain a high-level view of a protein's energy landscape. Algorithms from robot motion planning have been used for conformational sampling, and several of these algorithms promote diversity by keeping track of "coverage" in conformational space based on the local sampling density. However, large proteins present special challenges. In particular, larger systems require running many concurrent instances of these algorithms, but these algorithms can quickly become memory intensive because they typically keep previously sampled conformations in memory to maintain coverage estimates...
October 16, 2017: Journal of Computational Biology: a Journal of Computational Molecular Cell Biology
https://www.readbyqxmd.com/read/29035545/determination-of-n-type-doping-level-in-single-gaas-nanowires-by-cathodoluminescence
#13
Hung-Ling Chen, Chalermchai Himwas, Andrea Scaccabarozzi, Pierre Rale, Fabrice Oehler, Aristide Lemaitre, Laurent Lombez, Jean-Francois Guillemoles, Maria Tchernycheva, Jean-Christophe Harmand, Andrea Cattoni, Stéphane Collin
We present an effective method to determine the doping level in n-type III-V semiconductors at the nanoscale. Low-temperature and room-temperature cathodoluminescence (CL) measurements are carried out on single Si-doped GaAs nanowires. The spectral shift to higher energy (Burstein-Moss shift) and the broadening of luminescence spectra are signatures of increased electron densities. They are compared to the CL spectra of calibrated Si-doped GaAs layers whose doping levels are determined by Hall measurements...
October 16, 2017: Nano Letters
https://www.readbyqxmd.com/read/29035518/manipulation-and-assessment-of-charge-and-spin-delocalization-in-mixed-valent-triarylamine-vinylruthenium-conjugates
#14
Christopher Hassenrück, Rainer F Winter
Triarylamine-vinylruthenium conjugates (4-RC6H4)2N{C6H4-4-CH═CHRu(CO)Cl(P(i)Pr3)2}, with R = CHO (1-CHO), C(═O)Me (1-Ac), COOMe (1-E), and Me (1-Me), have been prepared and investigated in their neutral, mono- and dioxidized states by cyclic voltammetry, IR, and UV/vis/near-infrared spectroelectrochemistry, electron paramagnetic resonance spectroscopy, and quantum-chemical calculations. Electron-withdrawing substituents at the triarylamine moiety shift the charge and spin density toward the more electron-rich vinylruthenium site in comparison to the 4-OMe-substituted triarylamine-vinylruthenium conjugate 1-OMe...
October 16, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29035319/nutritional-therapy-in-liver-transplantation
#15
REVIEW
Ahmed Hammad, Toshimi Kaido, Vusal Aliyev, Claudia Mandato, Shinji Uemoto
Protein-energy malnourishment is commonly encountered in patients with end-stage liver disease who undergo liver transplantation. Malnutrition may further increase morbidity, mortality and costs in the post-transplantation setting. The importance of carefully assessing the nutritional status during the work-up of patients who are candidates for liver replacement is widely recognized. The metabolic abnormalities induced by liver failure render the conventional assessment of nutritional status to be challenging...
October 16, 2017: Nutrients
https://www.readbyqxmd.com/read/29035309/serum-magnesium-levels-in-preterm-infants-are-higher-than-adult-levels-a-systematic-literature-review-and-meta-analysis
#16
REVIEW
Jacques Rigo, Catherine Pieltain, Viola Christmann, Francesco Bonsante, Sissel J Moltu, Silvia Iacobelli, Stéphane Marret
Magnesium (Mg) is an essential mineral in the body, impacting the synthesis of biomacromolecules, bone matrix development, energy production, as well as heart, nerve, and muscle function. Although the importance of Mg is evident, reference values for serum Mg (sMg) in pediatric patients (more specifically, in neonates) are not well established. This systematic literature review and meta-analysis (using 47 eligible studies) aims to quantify normal and tolerable ranges of sMg concentrations during the neonatal period and to highlight the factors influencing Mg levels and the importance of regulating sMg levels during pregnancy and birth...
October 16, 2017: Nutrients
https://www.readbyqxmd.com/read/29035298/molecular-docking-and-3d-pharmacophore-modeling-to-study-the-interactions-of-chalcone-derivatives-with-estrogen-receptor-alpha
#17
Muchtaridi Muchtaridi, Hasna Nur Syahidah, Anas Subarnas, Muhammad Yusuf, Sharon D Bryant, Thierry Langer
Tamoxifen is the most frequently used anti-estrogen adjuvant treatment for estrogen receptor-positive breast cancer. However, it is associated with an increased risk of several serious side-effects, such as uterine cancer, stroke, and pulmonary embolism. The 2',4'-dihydroxy-6-methoxy-3,5-dimethylchalcone (ChalcEA) from plant leaves of Eugenia aquea, has been found to inhibit the proliferation of MCF-7 human breast cancer cells in a dose-dependent manner, with an IC50 of 74.5 μg/mL (250 μM). The aim of this work was to study the molecular interactions of new ChalcEA derivatives formed with the Estrogen Receptor α (ERα) using computer aided drug design approaches...
October 16, 2017: Pharmaceuticals
https://www.readbyqxmd.com/read/29035280/adipocyte-cannabinoid-receptor-cb1-regulates-energy-homeostasis-and-alternatively-activated-macrophages
#18
Inigo Ruiz de Azua, Giacomo Mancini, Raj Kamal Srivastava, Alejandro Aparisi Rey, Pierre Cardinal, Laura Tedesco, Cristina Maria Zingaretti, Antonia Sassmann, Carmelo Quarta, Claudia Schwitter, Andrea Conrad, Nina Wettschureck, V Kiran Vemuri, Alexandros Makriyannis, Jens Hartwig, Maria Mendez-Lago, Laura Bindila, Krisztina Monory, Antonio Giordano, Saverio Cinti, Giovanni Marsicano, Stefan Offermanns, Enzo Nisoli, Uberto Pagotto, Daniela Cota, Beat Lutz
Dysregulated adipocyte physiology leads to imbalanced energy storage, obesity, and associated diseases, imposing a costly burden on current health care. Cannabinoid receptor type-1 (CB1) plays a crucial role in controlling energy metabolism through central and peripheral mechanisms. In this work, adipocyte-specific inducible deletion of the CB1 gene (Ati-CB1-KO) was sufficient to protect adult mice from diet-induced obesity and associated metabolic alterations and to reverse the phenotype in already obese mice...
October 16, 2017: Journal of Clinical Investigation
https://www.readbyqxmd.com/read/29035279/cannabis-in-fat-high-hopes-to-treat-obesity
#19
Melody N Hawkins, Tamas L Horvath
Cannabinoid receptor type-1 (CB1s) is known to have a substantial impact on the regulation of energy metabolism via central and peripheral mechanisms. In this issue of the JCI, Ruiz de Azua and colleagues provide important insights into the regulation of adipocyte physiology by CB1. Mice with adipocyte-specific deletion of the CB1-encoding gene had an overall improved metabolic profile in addition to reduced body weight and total adiposity. These changes were associated with an increase in sympathetic tone of the adipose tissue and expansion of activated macrophages, both of which occurred prior to changes in body weight, lending support to a causal relationship between loss of CB1 in adipocytes and systemic metabolic changes...
October 16, 2017: Journal of Clinical Investigation
https://www.readbyqxmd.com/read/29035037/controlling-superwettability-by-microstructure-and-surface-energy-manipulation-on-three-dimensional-substrates-for-versatile-gravity-driven-oil-water-separation
#20
Hao-Yang Mi, Xin Jing, Han-Xiong Huang, Lih-Sheng Turng
Superwettable materials have gained tremendous attention due to their special wetting abilities. The key to obtaining and tuning superwettability is to precisely control the interfacial microstructures and surface energies of materials. Herein, we propose a novel approach to controlling the superwettability of three-dimensional (3D) foams. The surface microstructure was manipulated by the layer-by-layer covalent grafting of multidimensional nanoparticles (e.g. silica, carbon nanotubes, and graphene oxide), and the surface energy was tailored by grafting chemicals with different functional groups...
October 16, 2017: ACS Applied Materials & Interfaces
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