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https://www.readbyqxmd.com/read/29166563/mechanochemical-synthesis-of-pharmaceutical-cocrystal-suspensions-via-hot-melt-extrusion-enhancing-cocrystal-yield
#1
Shu Li, Tao Yu, Yiwei Tian, Colette Lagan, David S Jones, Gavin P Andrews
Pharmaceutical cocrystals have attracted increasing attention over the past decade as an alternative way to modify the physicochemical properties and hence improve the bioavailability of a drug, without sacrificing thermodynamic stability. Our previous work has demonstrated the viability of in-situ formation of ibuprofen/isonicotinamide cocrystal suspensions within a matrix carrier via a single-step hot-melt extrusion (HME) process. The key aim of the current work is to establish optimised processing conditions to improve cocrystal yield within extruded matrices...
November 22, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/29166531/a-polysaccharide-fraction-extracted-from-pleurotus-ostreatus-mycelial-biomass-inhibit-sarcoma-180-tumor
#2
Elisabeth Wisbeck, Jean M Facchini, Endi P Alves, Marcia L L Silveira, Regina M M Gern, Jorge L Ninow, Sandra A Furlan
Fungi of Pleurotus genus have attracted a great interest due to their medicinal properties such as anti-inflammatory, antimicrobial and antitumor. These properties are attributed mainly to polysaccharides synthesized by Pleurotus. This work aimed to study the mycelial growth of P. ostreatus in submerged culture, evaluating the influence of the initial concentration of substrate (20 and 40 g/L of glucose) and the pH (4 and 6) on kinetic parameters of production of biomass. The effectiveness of different doses (10, 30 and 50 mg/kg) of a mycelium polysaccharide fraction extracted from P...
2017: Anais da Academia Brasileira de Ciências
https://www.readbyqxmd.com/read/29166122/bulk-and-interfacial-structures-of-reline-deep-eutectic-solvent-a-molecular-dynamics-study
#3
Supreet Kaur, Shobha Sharma, Hemant K Kashyap
We apply all-atom molecular dynamics simulations to describe the bulk morphology and interfacial structure of reline, a deep eutectic solvent comprising choline chloride and urea in 1:2 molar ratio, near neutral and charged graphene electrodes. For the bulk phase structural investigation, we analyze the simulated real-space radial distribution functions, X-ray/neutron scattering structure functions, and their partial components. Our study shows that both hydrogen-bonding and long-range correlations between different constituents of reline play a crucial role to lay out the bulk structure of reline...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166111/effective-interactions-between-inclusions-in-an-active-bath
#4
Mahdi Zaeifi Yamchi, Ali Naji
We study effective two- and three-body interactions between non-active colloidal inclusions in an active bath of chiral or non-chiral particles, using Brownian dynamics simulations within a standard, two-dimensional model of disk-shaped inclusions and active particles. In a non-chiral active bath, we first corroborate previous findings on effective two-body repulsion mediated between the inclusions by elucidating the detailed non-monotonic features of the two-body force profiles, including a primary maximum and a secondary hump at larger separations that was not previously reported...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166097/volatility-of-the-catalytic-hydrogenation-products-of-1-4-bis-phenylethynyl-benzene
#5
Hom N Sharma, Elizabeth A Sangalang, Cheng K Saw, Gareth A Cairns, William McLean, Robert S Maxwell, Long N Dinh
Measurements of equilibrium vapor pressures by effusion thermogravimetry and melting points by differential scanning calorimetry reveal that the melting temperature and equilibrium vapor pressures of 1,4-bis(phenylethynyl)benzene (DEB) do not vary monotonically with the hydrogenation extent. Contrary to intuition which suggests increasing volatility with hydrogenation, results indicate decreasing volatility for the first two hydrogenation steps before a non-monotonic upward trend, in which trans-isomers are less volatile...
November 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29166016/enantioselective-friedel-crafts-alkylation-between-nitroalkenes-and-indoles-catalyzed-by-charge-activated-thiourea-organocatalysts
#6
Yang Fan, Steven Robert Kass
A series of methylated and octylated pyridinium and quinolinium containing thiourea salts with a chiral 2-indanol substituent are reported. These organocatalysts are positively charged analogs of privileged bis(3,5-trifluoromethyl)phenyl substituted thioureas, and are found to be much more active catalysts despite the absence of an additional hydrogen bond donor or acceptor site (i.e., the presence of a heteroatom-hydrogen or heteroatom). Friedel-Crafts reactions of trans-β-nitorostyrenes with indoles are examined and good yields and enantioselectivities are obtained...
November 22, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/29165989/bispentafluorophenyl-containing-additive-enhancing-efficiency-and-morphological-stability-of-polymer-solar-cells-via-hand-grabbing-like-supramolecular-pentafluorophenyl-fullerene-interactions
#7
Kai-En Hung, Che-En Tsai, Shao-Ling Chang, Yu-Ying Lai, U-Ser Jeng, Fong-Yi Cao, Chain-Shu Hsu, Chun-Jen Su, Yen-Ju Cheng
A new class of additive materials bis(pentafluorophenyl) diesters (BFEs) where the two pentafluorophenyl (C6F5) moieties are attached at the both ends of a linear aliphatic chain with tunable tether lengths (BF5, BF7, and BF13) were designed and synthesized. In the presence of the BF7 to restrict the migration of fullerene by hand-grabbing-like supramolecular interactions induced between the C6F5 groups and the surface of fullerene, the P3HT:PC61BM:BF7 device showed stable device characteristics after thermal heating at 150 oC for 25 h...
November 22, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29165872/manganese-dioxide-coated-ws2-fe3-o4-ssio2-nanocomposites-for-ph-responsive-mr-imaging-and-oxygen-elevated-synergetic-therapy
#8
Guangbao Yang, Rui Zhang, Chao Liang, He Zhao, Xuan Yi, Sida Shen, Kai Yang, Liang Cheng, Zhuang Liu
Recently, the development of multifunctional theranostic nanoplatforms to realize tumor-specific imaging and enhanced cancer therapy via responding or modulating the tumor microenvironment (TME) has attracted tremendous interests in the field of nanomedicine. Herein, tungsten disulfide (WS2 ) nanoflakes with their surface adsorbed with iron oxide nanoparticles (IONPs) via self-assembly are coated with silica and then subsequently with manganese dioxide (MnO2 ), on to which polyethylene glycol (PEG) is attached...
November 22, 2017: Small
https://www.readbyqxmd.com/read/29165769/current-views-of-chromosomal-abnormalities-in-pediatric-acute-myeloid-leukemia-aml
#9
L-H Shi, P Ma, J-S Liu, Y Li, Y-F Wang, M-F Guo, W Liu
Chromosomal abnormalities are an attractive avenue for the screening of various disorders especially related to carcinogens like acute myeloid leukemia (AML). The cytogenetic findings like Karyotypic patterns are common in pediatric patients. On the other hand, monosomal karyotype (MK) and complex karyotype (CK) are more common in older patients. Further, recent studies have revealed direct proportion between the number of chromosome abnormalities and mortality rates in both pediatric as well as old patients affected by AML...
October 2017: European Review for Medical and Pharmacological Sciences
https://www.readbyqxmd.com/read/29165716/targeting-bcr-abl-independent-tki-resistance-in-chronic-myeloid-leukemia-by-mtor-and-autophagy-inhibition
#10
Rebecca Mitchell, Lisa E M Hopcroft, Pablo Baquero, Elaine K Allan, Kay Hewit, Daniel James, Graham Hamilton, Arunima Mukhopadhyay, Jim O'Prey, Alan Hair, Junia V Melo, Edmond Chan, Kevin M Ryan, Véronique Maguer-Satta, Brian J Druker, Richard E Clark, Subir Mitra, Pawel Herzyk, Franck E Nicolini, Paolo Salomoni, G Vignir Helgason
Background: Imatinib and second-generation tyrosine kinase inhibitors (TKIs) nilotinib and dasatinib have statistically significantly improved the life expectancy of chronic myeloid leukemia (CML) patients; however, resistance to TKIs remains a major clinical challenge. Although ponatinib, a third-generation TKI, improves outcomes for patients with BCR-ABL-dependent mechanisms of resistance, including the T315I mutation, a proportion of patients may have or develop BCR-ABL-independent resistance and fail ponatinib treatment...
November 20, 2017: Journal of the National Cancer Institute
https://www.readbyqxmd.com/read/29165488/rocket-inspired-tubular-catalytic-microjets-with-grating-structured-walls-as-guiding-empennages
#11
Gaoshan Huang, Jiyuan Wang, Zhaoqian Liu, Dekai Zhou, Ziao Tian, Borui Xu, Longqiu Li, Yongfeng Mei
Controllable locomotion in the micro-/nanoscale is challenging and attracts increasing research interest. Tubular microjets self-propelled by microbubbles are intensively investigated due to their high energy conversion efficiency, but the imperfection of the tubular geometry makes it harder to realize linear motion. Inspired by the macro rocket, we designed a tubular microjet with a grating-structured wall which mimics the guiding empennage of the macro rocket, and we found that the fluid can be effectively guided by the grooves...
November 22, 2017: Nanoscale
https://www.readbyqxmd.com/read/29165391/micrornas-associated-with-von-hippel-lindau-pathway-in-renal-cell-carcinoma-a-comprehensive-review
#12
REVIEW
Lisa-Maria Schanza, Maximilian Seles, Michael Stotz, Johannes Fosselteder, Georg C Hutterer, Martin Pichler, Verena Stiegelbauer
Renal cell carcinoma (RCC) are the most common renal neoplasia and can be divided into three main histologic subtypes, among which clear cell RCC is by far the most common form of kidney cancer. Despite substantial advances over the last decade in the understanding of RCC biology, surgical treatments, and targeted and immuno-therapies in the metastatic setting, the prognosis for advanced RCC patients remains poor. One of the major problems with RCC treatment strategies is inherent or acquired resistance towards therapeutic agents over time...
November 22, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/29165071/minocycline-loaded-in-situ-hydrogel-for-periodontitis-treatment
#13
Xiaoqing Wang, Jianli Ma, Xiaoming Zhu, Fang Wang, Liang Zhou
In situ hydrogel based on phase separation by solvent exchange has emerged as an attractive alternative for periodontal pocket injection. In this study, an minocycline (MCL)-loaded in situ hydrogel was prepared composed of poly(lactide-co-glycolide) (PLGA) and N-methylpyrrolidone (NMP) to enhance the topical treatment of periodontitis. A series of reasonable and applicable formulations were optimized by investigating their syringeability, viscosity and in vitro drug release. The rheological profiles, antimicrobial activities and pharmacodynamics were further studied to evaluate its effect on periodontitis treatment...
November 20, 2017: Current Drug Delivery
https://www.readbyqxmd.com/read/29164895/interlayer-coupling-and-gate-tunable-excitons-in-transition-metal-dichalcogenide-heterostructures
#14
Shiyuan Gao, Li Yang, Catalin D Spataru
Bilayer van der Waals (vdW) heterostructures such as MoS2/WS2 and MoSe2/WSe2 have attracted much attention recently, particularly because of their type II band alignments and the formation of interlayer exciton as the lowest-energy excitonic state. In this work, we calculate the electronic and optical properties of such heterostructures with the first-principles GW+Bethe-Salpeter Equation (BSE) method and reveal the important role of interlayer coupling in deciding the excited-state properties, including the band alignment and excitonic properties...
November 22, 2017: Nano Letters
https://www.readbyqxmd.com/read/29164871/modeling-transport-of-chemotactic-bacteria-in-granular-media-containing-distributed-contaminant-sources
#15
Joanna S T Adadevoh, Sassan Ostvar, Brian D Wood, Roseanne Marie Ford
Chemotaxis has the potential to improve bioremediation strategies by enhancing the transport of pollutant-degrading bacteria to the source of contamination, leading to increased pollutant accessibility and biodegradation. This computational study extends work reported previously in the literature to include predictions of chemotactic bacterial migration in response to multiple localized contaminant sources within porous media. An advection-dispersion model, in which chemotaxis was represented explicitly as an additional advection-like term, was employed to simulate the transport of bacteria within a sand-packed column containing a distribution of chemoattractant sources...
November 22, 2017: Environmental Science & Technology
https://www.readbyqxmd.com/read/29164849/an-emulsion-hydrogel-soft-motor-actuated-by-thermal-stimulation
#16
Hui Wang, Yuling Liang, Wei Gao, Renfeng Dong, Chaoyang Wang
An emulsion hydrogel motor (E-H-motor) constituted by low-boiling oil fuel and hydrogel matrix, is prepared through a simple yet versatile oil-in-water (O/W) emulsion template method. The E-H-motor can be efficiently propelled by the bubbles generated under thermal stimulus. As thermal-inducted explosion occurs inside the E-H-motor (diameter ~4.0 mm, length ~6.0 mm), the gas bubbles resulting from thermotropic phase transition are violently ejected from one side, leading to a fast speed of 14.78 ± 4.82 mm s-1 in a 60 oC aqueous solution...
November 22, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29164779/characterization-of-the-interaction-forces-in-a-drug-carrier-complex-of-doxorubicin-with-a-drug-binding-peptide
#17
Gergana Gocheva, Nina Ilieva, Kalina Peneva, Anela Ivanova
Polypeptide-based materials are used as building blocks for drug delivery systems aimed at toxicity decrease of chemotherapeutics. A molecular-level approach is adopted for investigating the non-covalent interactions between doxorubicin and a recently synthesized drug-binging peptide as a key part of a system for delivery to neoplastic cells. MD simulations in aqueous solution at room and body temperature are applied to investigate the structure and the binding modes within the drug-peptide complex. The tryptophans are outlined as the main chemotherapeutic adsorption sites and the importance of their placement in the peptide sequence is highlighted...
November 22, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/29164712/pristine-metal-organic-frameworks-and-their-composites-for-energy-storage-and-conversion
#18
REVIEW
Zibin Liang, Chong Qu, Wenhan Guo, Ruqiang Zou, Qiang Xu
Metal-organic frameworks (MOFs), a new class of crystalline porous organic-inorganic hybrid materials, have recently attracted increasing interest in the field of energy storage and conversion. Herein, recent progress of MOFs and MOF composites for energy storage and conversion applications, including photochemical and electrochemical fuel production (hydrogen production and CO2 reduction), water oxidation, supercapacitors, and Li-based batteries (Li-ion, Li-S, and Li-O2 batteries), is summarized. Typical development strategies (e...
November 22, 2017: Advanced Materials
https://www.readbyqxmd.com/read/29164706/a-binder-free-and-free-standing-cobalt-sulfide-carbon-nanotube-cathode-material-for-aluminum-ion-batteries
#19
Yuxiang Hu, Delai Ye, Bin Luo, Han Hu, Xiaobo Zhu, Songcan Wang, Linlin Li, Shengjie Peng, Lianzhou Wang
Rechargeable aluminum-ion batteries (AIBs) are considered as a new generation of large-scale energy-storage devices due to their attractive features of abundant aluminum source, high specific capacity, and high energy density. However, AIBs suffer from a lack of suitable cathode materials with desirable capacity and long-term stability, which severely restricts the practical application of AIBs. Herein, a binder-free and self-standing cobalt sulfide encapsulated in carbon nanotubes is reported as a novel cathode material for AIBs...
November 22, 2017: Advanced Materials
https://www.readbyqxmd.com/read/29164634/testing-the-limits-of-model-membrane-simulations-bilayer-composition-and-pressure-scaling
#20
Nikoleta Ivanova, Anela Ivanova
Studying transfer of bioactive compounds across cell membranes by simulations attracts growing attention. To perform such calculations accurately, it is necessary to verify the validity of computational protocols established for description of unperturbed lipid bilayers also with translocating substances present. The current work reports the results from 1 μs long atomistic molecular dynamics simulations of two types of model plasma membranes-one built of a single phospholipid (DPPC) and one constructed of four types of phospholipids-in the presence of a drug-peptide complex experimentally known to cross cell membranes...
November 21, 2017: Journal of Computational Chemistry
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