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https://www.readbyqxmd.com/read/29040957/molecular-docking-and-antiamnesic-effects-of-nepitrin-isolated-from-rosmarinus-officinalis-on-scopolamine-induced-memory-impairment-in-mice
#1
Nasiara Karim, Imran Khan, Abeer Abdelhalim, Heba Abdel-Halim, Jane R Hanrahan
Rosmarinus officinalis has long been known as the herb of remembrance. The present study was undertaken to investigate the anti-amnesic effects of nepitrin isolated from Rosmarinus officinalis using in-vivo models of Y-maze and novel object recognition test (NORT) along with in vitro antioxidant and acetylcholinesterase (AChE) and buterylcholinesterase (BuChE) inhibition potential. Nepitrin showed a concentration dependent inhibition of AChE and BuChE enzymes with IC50 values of 65 and 72μg/mL, respectively and antioxidant activity against 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2, 2'-azinobis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) with IC50 values 270 and 210μg/mL, respectively...
October 14, 2017: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
https://www.readbyqxmd.com/read/29040935/thermal-stability-study-of-crystalline-and-novel-spray-dried-amorphous-nilotinib-hydrochloride
#2
Maikel Herbrink, Herman Vromans, Jan Schellens, Jos Beijnen, Bastiaan Nuijen
The thermal characteristics and the thermal degradation of crystalline and amorphous nilotinib hydrochloride (NH) were studied. The spray drying technique was successfully utilized for the amorphization of NH and was evaluated by spectroscopic techniques and differential scanning calorimetry (DSC). The ethanolic spray drying process yielded amorphous NH with a glass transition temperature (Tg) of 147°C. Thermal characterization of the amorphous phase was performed by heat capacity measurements using modulated DSC (mDSC)...
October 12, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/29040933/evaluation-of-mno2-templated-iron-oxide-coated-diatomites-for-their-catalytic-performance-in-heterogeneous-photo-fenton-like-system
#3
Yi He, De Bin Jiang, De Yi Jiang, Jie Chen, Yu Xin Zhang
Herein, iron oxide-coated diatomites were prepared through hydrothermal synthesis and sacrificial template redox etching reaction. The microstructure characterization results revealed that the Fe2O3 nanorods were uniformly distributed on the surface of diatomite. The effects of diverse synthetic parameters on morphology of as-synthesized Fe2O3@diatomite were investigated. When the reaction time was prolonged from 12h to 24h, the morphology of FeOOH would change from nanorods into nanoflowers. Two different crystal phases of Fe2O3@diatomite were obtained from the FeOOH@diatomite samples calcined under different atmospheres...
October 10, 2017: Journal of Hazardous Materials
https://www.readbyqxmd.com/read/29040930/dft-computations-on-crystal-structure-vibrational-studies-and-optical-investigations-of-a-luminescent-self-assembled-material
#4
REVIEW
A Kessentini, A Ben Ahmed, T Dammak, M Belhouchet
The current work undertakes the growth and the physicochemical properties of a novel green-yellow luminescence semi-organic material, the 3-picolylammonium bromide abbreviated (Pico-Br). In this paper, we report the X-ray diffraction measurements which show that the crystal lattice consists of distinct 3-picolylammonium cations and free bromide anions connected via NH⋯Br and NH⋯N hydrogen bonds leading to form a two dimensional frameworks. Molecular geometry compared with its optimized counterpart shows that the quantum chemical calculations carried out with density functional method (DFT) well produce the perceived structure by X-ray resolution of the studied material...
October 13, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/29040846/salt-tolerance-aerobic-granular-sludge-formation-and-microbial-community-characteristics
#5
Dong Ou, Hui Li, Wei Li, Xiao Wu, Yi-Qiao Wang, Yong-di Liu
The salt-tolerance aerobic granular sludge (SAGS) dominated by moderately halophilic bacteria was successfully cultured in a 9% (w/v) salty, lab-scale sequence batch reactor (SBR) system. Influence of high salinity (0-9% w/v NaCl) on the formation, performance and microbial succession of the SAGS were explored. Crystal nucleus hypothesis, selection pressure hypothesis and compressed double electric layers hypothesis were used to discuss the formation mechanism of SAGS. Notably, salinity could be seen as a kind of selection pressure contributed to the formation of SAGS, while salinity also declined the performance of SAGS system...
July 28, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/29040804/mechanochemical-synthesis-of-carbon-nanothread-single-crystals
#6
Xiang Li, Maria Baldini, Tao Wang, Bo Chen, En-Shi Xu, Brian Vermilyea, Vincent H Crespi, Roald Hoffmann, Jamie J Molaison, Christopher A Tulk, Malcolm Guthrie, Stanislav Sinogeikin, John V Badding
Synthesis of well-ordered reduced-dimensional carbon solids with extended bonding remains a challenge. For example, few single-crystal organic monomers react under topochemical control to produce single-crystal extended solids. We report a mechanochemical synthesis in which slow compression at room temperature under uniaxial stress can convert polycrystalline or single-crystal benzene monomer into single-crystalline packings of carbon nanothreads, a one-dimensional sp3 carbon nanomaterial. The long range order over hundreds of microns of these crystals allows them to readily exfoliate into fibers...
October 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29040801/molecular-level-insight-into-the-interaction-of-phospholipid-bilayers-with-cellulose
#7
Andrei Yu Kostritskii, Dmitry Alekseevich Tolmachev, Natalia Viacheslavovna Lukasheva, Andrey A Gurtovenko
A molecular-level insight into the interactions of phospholipid molecules with cellulose is crucial for the development of novel cellulose-based materials for wound dressing. Here we employ the state-of-the-art computer simulations to unlock for a first time the molecular mechanisms behind such interactions. To this end, we performed a series of atomic-scale molecular dynamics simulations of phospholipid bilayers on a crystalline cellulose support at various hydration levels of the bilayer leaflets next to the cellulose surface...
October 17, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29040720/genome-wide-prediction-of-minor-groove-electrostatic-potential-enables-biophysical-modeling-of-protein-dna-binding
#8
Tsu-Pei Chiu, Satyanarayan Rao, Richard S Mann, Barry Honig, Remo Rohs
Protein-DNA binding is a fundamental component of gene regulatory processes, but it is still not completely understood how proteins recognize their target sites in the genome. Besides hydrogen bonding in the major groove (base readout), proteins recognize minor-groove geometry using positively charged amino acids (shape readout). The underlying mechanism of DNA shape readout involves the correlation between minor-groove width and electrostatic potential (EP). To probe this biophysical effect directly, rather than using minor-groove width as an indirect measure for shape readout, we developed a methodology, DNAphi, for predicting EP in the minor groove and confirmed the direct role of EP in protein-DNA binding using massive sequencing data...
October 11, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29040713/human-argonaute3-has-slicer-activity
#9
Mi Seul Park, Hong-Duc Phan, Florian Busch, Samantha H Hinckley, James A Brackbill, Vicki H Wysocki, Kotaro Nakanishi
Of the four human Argonaute (AGO) paralogs, only AGO2 has been shown to have slicer activity. The others (AGO1, AGO3 and AGO4) have been thought to assemble with microRNAs to form slicer-independent effector complexes that bind target mRNAs and silence gene expression through translational repression and deadenylation but not cleavage. Here, we report that recombinant AGO3 loaded with miR-20a cleaves complementary target RNAs, whereas AGO3 loaded with let-7a, miR-19b or miR-16 does not, indicating that AGO3 has slicer activity but that this activity depends on the guide RNA...
October 11, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29040590/constructing-the-crystal-ball-how-to-get-reliable-prognostic-information-for-the-management-of-subfertile-couples
#10
R van Eekelen, N van Geloven, M van Wely, D J McLernon, M J Eijkemans, S Repping, E W Steyerberg, B W Mol, S Bhattacharya, F van der Veen
Couples in whom the results of an initial fertility workup fail to identify the presence of any obvious barriers to conception are diagnosed with unexplained subfertility. Couples who have tried to conceive for a relatively short time have a good chance of natural conception and thus may not benefit from immediate access to ART. As fertility decreases over time, the main dilemma that clinicians and couples face is when to abandon an expectant approach in favour of active treatment. Several prognostic or predictive models have been used to try to discriminate between couples with high and low chances of conception but have been unable to compare individualized chances of conception associated with ART relative to chances of natural conception at various time points...
October 12, 2017: Human Reproduction
https://www.readbyqxmd.com/read/29040343/spherical-nematic-shells-with-a-prolate-ellipsoidal-core
#11
Monirosadat Sadati, Ye Zhou, Drew Melchert, Ashley Guo, Jose A Martinez-Gonzalez, Tyler F Roberts, Rui Zhang, Juan J de Pablo
Liquid crystal shells have attracted considerable attention in recent years. In such systems, a combination of confinement and curvature generates topological defect structures that do not exist in the bulk. Past studies, however, have largely focused on perfectly spherical shells, and little attention has been devoted to the impact of core geometry on the configuration and arrangement of topological defects. In this work, a microfluidic glass capillary device is used to encapsulate spherical and prolate ellipsoidal particles in nematic liquid crystal (LC) droplets dispersed in aqueous media...
October 17, 2017: Soft Matter
https://www.readbyqxmd.com/read/29039965/scanning-electron-microscope-comparative-surface-evaluation-of-glazed-lithium-disilicate-ceramics-under-different-irradiation-settings-of-nd-yag-and-er-yag-lasers
#12
Josko Viskic, Drazen Jokic, Suzana Jakovljevic, Lana Bergman, Sladana Milardovic Ortolan, Senka Mestrovic, Ketij Mehulic
OBJECTIVE: To evaluate the surface of glazed lithium disilicate dental ceramics after irradiation under different irradiation settings of Nd:YAG and Er:YAG lasers using a scanning electron microscope (SEM). MATERIALS AND METHODS: Three glazed-press lithium disilicate ceramic discs were treated with HF, Er:YAG, and Nd:YAG, respectively. The laser-setting variables tested were laser mode, repetition rate (Hz), power (W), time of exposure (seconds), and laser energy (mJ)...
October 17, 2017: Angle Orthodontist
https://www.readbyqxmd.com/read/29039945/structural-consequences-of-1-4-cyclohexanedicarboxylate-cis-trans-isomerism-in-uranyl-ion-complexes-from-molecular-species-to-2d-and-3d-entangled-nets
#13
Pierre Thuéry, Jack Harrowfield
trans-1,4-Cyclohexanedicarboxylic acid (t-1,4-chdcH2) or the commercially available mixture of the cis and trans isomers (c,t-1,4-chdcH2) has been used in the synthesis of a series of 14 uranyl ion complexes, all obtained under solvohydrothermal conditions, some in the presence of additional metal cations and/or 2,2'-bipyridine (bipy). With its two isomeric forms having very different shapes and its great sensitivity to the experimental conditions, 1,4-chdc(2-) appears to be suitable for the synthesis of uranyl ion complexes displaying a wide range of architectures...
October 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29039943/synthesis-and-structural-electrical-and-magnetic-properties-of-new-iron-aluminum-alluaudite-phases-%C3%AE-na2ni2m-po4-3-m-fe-and-al
#14
Douha Harbaoui, Moustafa M S Sanad, Cécile Rossignol, El Kebir Hlil, Noureddine Amdouni, Saïd Obbade
Herein we report the studies of different physical properties (structural, magnetic, thermal, morphologic, electrical, and electrochemical) of two new allotropic β-Na2Ni2M(PO4)3 (NNMP) phosphates, with M = Fe and Al. Pure orthorhombic single-phase powders were prepared under air, using an autocombustion synthesis method. They crystallize in the orthorhombic Imma space group with similar unit cell parameters [a = 10.1592(2), b = 13.0321(3), c = 6.4864(2) Å] and [a = 10.3993(1), b = 13.1966(1), c = 6.4955(1) Å] for β-Na2Ni2M(PO4)3 (NNAP) and β-Na2Ni2Fe(PO4)3 (NNFP), respectively...
October 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29039938/the-electro-deposition-dissolution-of-cuso4-aqueous-electrolyte-investigated-by-in-situ-soft-x-ray-absorption-spectroscopy
#15
Juan Jesús Velasco Vélez, Katarzyna Skorupska, Elias Frei, Yu-Cheng Huang, Chung Li Dong, Bing-Jian Su, Cheng-Jhih Hsu, Hung-Yu Chou, Jin-Ming Chen, Peter Strasser, Robert Schloegl, Axel Knop-Gericke, ChengHao Chuang
The electrodeposition nature of copper on a gold electrode in a 4.8 pH CuSO4 solution was inquired using X-ray absorption spectroscopy, electrochemical quartz crystal microbalance and thermal desorption spectroscopy techniques. Our results point out that the electrodeposition of copper prompts the formation of stable oxi-hydroxide species with a formal oxidation state Cu+ without the evidence of metallic copper formation (Cu0). Moreover, the subsequent anodic polarization of Cu2Oaq yields the formation of CuO, in the formal oxidation state Cu2+, which is dissolved at higher anodic potential...
October 17, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29039933/porous-uranium-diphosphonate-frameworks-with-trinuclear-units-templated-by-organic-ammonium-hydrolyzed-from-amine-solvents
#16
Zhi-Hui Zhang, Ganna A Senchyk, Yi Liu, Tyler Spano-Franco, Jennifer E S Szymanowski, Peter C Burns
By varying solvent systems, the solvothermal treatment of uranyl nitrate and methylenediphosphonic acid (H4PCP) afforded three new porous uranyl-organic frameworks (UOFs). All were structurally characterized by single-crystal X-ray diffraction and formulated as (Et2NH2)2[(UO2)3(PCP)2](H2O)2.5 (1), (MeNH3)(H3O)[(UO2)3(PCP)2(H2O)3] (2), and [Na(H2O)4](H3O)[(UO2)3(PCP)2(H2O)2](H2O)5 (3). These compounds crystallize with three-dimensional anionic frameworks containing U(VI) and distinct cationic species due to in situ solvent hydrolysis...
October 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29039922/synthesis-and-crystal-structures-of-volatile-neptunium-iv-%C3%AE-diketonates
#17
Aaron T Johnson, T Gannon Parker, Sara M Dickens, Jana K Pfeiffer, Allen G Oliver, Donald Wall, Nathalie A Wall, Martha R Finck, Kevin P Carney
Production of certified reference materials in support of domestic nuclear forensics programs require volatile precursors for introduction into electromagnetic isotopic separation instruments. β-Diketone chelates of tetravalent actinides are known for their high volatility, but previously developed synthetic approaches require starting material (NpCl4) that is prohibitively difficult and hazardous to prepare. An alternative strategy was developed here that uses controlled potential electrolysis to reduce neptunium to the tetravalent state in submolar concentrations of hydrochloric acid...
October 17, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/29036895/low-cost-lab-on-chip-for-the-colorimetric-detection-of-nitrate-in-mineral-water-products
#18
Mohammad F Khanfar, Wisam Al-Faqheri, Ala'aldeen Al-Halhouli
The diagnostics of health status and the quality of drinking water are among the most important United Nations sustainable development goals. However, in certain areas, wars and instability have left millions of people setting in refugee camps and dangerous regions where infrastructures are lacking and rapid diagnostics of water quality and medical status are critical. In this work, microfluidic testing chips and photometric setups are developed in cheap and portable way to detect nitrate concentrations in water...
October 14, 2017: Sensors
https://www.readbyqxmd.com/read/29036703/spiritual-religious-distress-is-associated-with-pain-catastrophizing-and-interference-in-veterans-with-chronic-pain
#19
J Irene Harris, Timothy Usset, Laura Krause, Damien Schill, Berdette Reuer, Rhonda Donahue, Crystal L Park
Objective: Few studies have examined relations between one important aspect of spiritual/religious functioning-spiritual distress-and pain-related outcomes, and none has examined how spiritual distress and depression conjointly relate to chronic pain. The goal of the present study, then, was to examine veterans' spiritual distress as a predictor of two aspects of chronic pain, catastrophizing and interference, testing a mediational model of depression. Design: Four hundred thirty-six patients seeking treatment in a chronic pain management clinic responded to a mailed survey assessing demographics, spiritual distress, depression, pain catastrophizing, and pain interference...
September 23, 2017: Pain Medicine: the Official Journal of the American Academy of Pain Medicine
https://www.readbyqxmd.com/read/29036479/a-structural-basis-for-the-antibiotic-resistance-conferred-by-an-n1-methylation-of-a1408-in-16s-rrna
#20
Hiroki Kanazawa, Fumika Baba, Mai Koganei, Jiro Kondo
The aminoglycoside resistance conferred by an N1-methylation of A1408 in 16S rRNA by a novel plasmid-mediated methyltransferase NpmA can be a future health threat. In the present study, we have determined crystal structures of the bacterial ribosomal decoding A site with an A1408m1A antibiotic-resistance mutation both in the presence and absence of aminoglycosides. G418 and paromomycin both possessing a 6'-OH group specifically bind to the mutant A site and disturb its function as a molecular switch in the decoding process...
October 3, 2017: Nucleic Acids Research
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