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https://www.readbyqxmd.com/read/28102674/2d-ir-spectroscopy-shows-that-optimised-dna-minor-groove-binding-of-hoechst33258-follows-an-induced-fit-model
#1
Lennart A I Ramakers, Gordon Hithell, John J May, Gregory M Greetham, Paul M Donaldson, Michael Towrie, Anthony W Parker, Glenn A Burley, Neil T Hunt
The induced fit binding model describes a conformational change occurring when a small molecule binds to its biomacromolecular target. The result is enhanced non-covalent interactions between ligand and biomolecule. Induced fit is well-established for small molecule-protein interactions, but its relevance to small molecule-DNA binding is less clear. We investigate the molecular determinants of Hoechst33258 binding to its preferred A-tract sequence relative to a sub-optimal alternating A-T sequence. Results from 2-dimensional infrared spectroscopy, which is sensitive to H-bonding and molecular structure changes, show that Hoechst33258 binding results in loss of minor groove spine of hydration in both sequences, but an additional perturbation of the base propeller twists occurs in the A-tract binding region...
January 19, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28102499/aortic-radial-pulse-wave-velocity-ratio-in-end-stage-renal-disease-patients-association-with-age-body-tissue-hydration-status-renal-failure-etiology-and-five-years-of-hemodialysis
#2
Daniel Bia, Rodolfo Valtuille, Cintia Galli, Sandra Wray, Ricardo Armentano, Yanina Zócalo, Edmundo Cabrera-Fischer
INTRODUCTION: The etiology of the end-stage renal disease (ESRD) and the hydration status may be involved in the arterial stiffening process observed in hemodialyzed patients. The ratio between carotid-femoral and carotid-radial pulse wave velocity (PWV ratio) was recently proposed to characterize the patient-specific stiffening process. AIMS: to analyze: (1) the PWV-ratio in healthy and hemodialyzed subjects, analyzing potential changes associated to etiologies of the ESRD, (2) the PWV-ratio and hydration status using multiple-frequency bioimpedance and, (3) the effects of hemodialysis on PWV-ratio in a 5-year follow-up...
January 19, 2017: High Blood Pressure & Cardiovascular Prevention: the Official Journal of the Italian Society of Hypertension
https://www.readbyqxmd.com/read/28102385/afm-study-on-the-adsorption-of-hg-2-on-natural-molybdenum-disulfide-in-aqueous-solutions
#3
Feifei Jia, Xian Zhang, Shaoxian Song
The adsorption of Hg(2+) on natural molybdenum disulfide has been studied using atomic force microscope (AFM). The AFM imaging clearly illustrated the adsorption of Hg(2+) on the surface of molybdenum disulfide, and also hydration layers on the surfaces. It was found that the presence of a hydration layer on molybdenum disulfide surfaces hindered the Hg(2+) adsorption. Also, it was observed that the Hg(2+) adsorbed appeared in the form of multilayers. The first adsorbed Hg(2+) layer might be mainly attributed to the complexation of Hg(2+) with S atoms exposed on molybdenum disulfide surfaces, while the second one might be due to the electrostatic interaction between negatively charged molybdenum disulfide and the cation Hg(2+)...
January 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28102083/development-and-characterization-of-morin-hydrate-loaded-microemulsion-for-the-management-of-alzheimer-s-disease
#4
Dheeraj Sharma, Manpreet Singh, Punnet Kumar, Vir Vikram, Neeraj Mishra
The aim of this study is to prepare and characterize intranasal delivery of morin hydrate loaded microemulsion for the management of Alzheimer's diseases. After intranasal delivery, brain and blood drug concentrations were found to be higher for optimized morin hydrate loaded microemulsion as compared to plain morin hydrate. Significant (P < 0.05) reduction in assessed pharmacodynamic parameters was observed after intranasal administration of morin hydrate loaded microemulsion as compared to sham control group...
January 19, 2017: Artificial Cells, Nanomedicine, and Biotechnology
https://www.readbyqxmd.com/read/28101455/pharmaceutical-cocrystals-regulatory-and-strategic-aspects-design-and-development
#5
REVIEW
Dipak Dilip Gadade, Sanjay Sudhakar Pekamwar
Cocrystal is a concept of the supramolecular chemistry which is gaining the extensive interest of researchers from pharmaceutical and chemical sciences and of drug regulatory agencies. The prominent reason of which is its ability to modify physicochemical properties of active pharmaceutical ingredients. During the development of the pharmaceutical product, formulators have to optimize the physicochemical properties of active pharmaceutical ingredients. Pharmaceutical cocrystals can be employed to improve vital physicochemical characteristics of a drug, including solubility, dissolution, bioavailability and stability of pharmaceutical compounds while maintaining its therapeutic activity...
December 2016: Advanced Pharmaceutical Bulletin
https://www.readbyqxmd.com/read/28101359/effect-of-combined-treatment-with-micelle-incorporated-cisplatin-nc-6004-and-s-1-on-human-gastric-cancer-xenografts
#6
Masahisa Kudo, Yoshiyuki Yamamoto, Yoshikatsu Koga, Tetsuya Hamaguchi, Tetsuo Akimoto, Masahiro Yasunaga, Yasuhiro Matsumura
Combination therapy with S-1 and cisplatin (CDDP) is the standard chemotherapy for advanced gastric cancer in Japan; however, its administration requires hospitalization for hydration to prevent nephrotoxicity from CDDP. By contrast, NC-6004 appears to reduce the renal toxicity of CDDP and may be used on an outpatient basis. Thus, the effects of combined treatment with S-1 and NC-6004 were compared with those of S-1 and CDDP in a human gastric cancer model. In vitro cytotoxic effects were investigated in 44As3Luc, MKN45 and MKN74 human gastric cancer cell lines...
December 2016: Molecular and Clinical Oncology
https://www.readbyqxmd.com/read/28101180/acute-renal-injury-induced-by-valacyclovir-hydrochloride-a-case-report
#7
Yanning Zhang, Yuxi Cong, Yan Teng
Acyclovir has been a frequently used antiviral agent in the clinical treatment of leukemia, acute encephalitis, malignant tumor and herpes simplex. The adverse effects of this drug have been widely described in clinical practice. In the present study, a case of a 35-year-old female patient diagnosed with herpes simplex, who developed acute renal injury following treatment with valacyclovir hydrochloride, is described. Kidney biopsy, light microscopy and laboratory examination were performed, and all findings revealed the signs of evident vacuolar degeneration of capillary endothelial and renal tubular epithelial cells, erythrocyte aggregation in partial renal tubule and microvilli exfoliation from epithelial cells...
December 2016: Experimental and Therapeutic Medicine
https://www.readbyqxmd.com/read/28098979/electroactive-self-assembled-monolayers-detect-micelle-formation
#8
Eric R Dionne, Antonella Badia
The interfacial electrochemistry of self-assembled monolayers (SAMs) of ferrocenyldodecanethiolate on gold (FcC12SAu) electrodes is applied to detect the micellization of some common anionic surfactants, sodium n-alkyl sulfates, sodium n-alkyl sulfonates, sodium diamyl sulfosuccinate, and sodium dodecanoate, in aqueous solution by cyclic voltammetry. The apparent formal redox potential (Eº´SAM) of the FcC12SAu SAM is used to track changes in the concentration of the unaggregated surfactant anions and determine the critical micelle concentration (cmc)...
January 18, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28098464/clustering-of-uracil-molecules-on-ice-nanoparticles
#9
Andriy Pysanenko, Jaroslav Kocisek, Dana Nachtigallova, Viktoriya Poterya, Michal Farnik
We generate a molecular beam of ice nanoparticles (H2O)N, N ∼130 - 220, which pick up several individual gas phase uracil (U) or 5-bromouracil (BrU) molecules. The mass spectra of the doped nanoparticles prove that the uracil and bromouracil molecules coagulate to clusters on the ice nanoparticles. Calculations of U and BrU monomers and dimers on the ice nanoparticles provide theoretical support for the cluster formation. The (U)nH(+) and (BrU)nH(+) intensity dependencies on m extracted from the mass spectra suggest a smaller tendency of BrU to coagulate compared to U, which is substantiated by a lower mobility of bromouracil on the ice surface...
January 18, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28098194/new-hydrate-formation-methods-in-a-liquid-gas-medium
#10
A A Chernov, A A Pil'nik, D S Elistratov, I V Mezentsev, A V Meleshkin, M V Bartashevich, M G Vlasenko
Conceptually new methods of hydrate formation are proposed. The first one is based on the shock wave impact on a water-bubble medium. It is shown that the hydrate formation rate in this process is typically very high. A gas hydrate of carbon dioxide was produced. The process was experimentally studied using various initial conditions, as well as different external action magnitudes. The obtained experimental data are in good agreement with the proposed model. Other methods are based on the process of boiling liquefied gas in an enclosed volume of water (explosive boiling of a hydrating agent and the organization of cyclic boiling-condensation process)...
January 18, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28097750/the-structure-of-glycine-dihydrate-implications-for-the-crystallization-of-glycine-from-solution-and-its-structure-in-outer-space
#11
Wenqian Xu, Qiang Zhu, Chunhua Tony Hu
Glycine, the simplest amino acid, is also the most polymorphous. Herein, we report the structure determination of a long unknown phase of glycine, which was first reported by Pyne and Suryanarayanan in 2001. To date, this phase has only been prepared at 208 K as nanocrystals within ice. Through computational crystal-structure prediction and powder X-ray diffraction methods, we identified this elusive phase as glycine dihydrate (GDH), representing the first report on the structure of a hydrated glycine structure...
January 18, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28097273/integration-of-multiple-active-sites-on-large-pore-mesoporous-silica-for-enantioselective-tandem-reactions
#12
Xuelin Xia, Jingjing Meng, Hanxin Wu, Tanyu Cheng, Guohua Liu
Facile construction of a multifunctional heterogeneous catalyst through the assembly of Au/carbene and chiral ruthenium/diamine dual complexes in large-pore mesoporous silica was developed. This enables an efficient one-pot hydration-asymmetric transfer hydrogenation enantioselective tandem reaction of haloalkynes, affording chiral halohydrins with up to 99% enantioselectivity. Combined multifunctionalities, such as substrate-promoted silanol-functionality, BF4(-) anion-bonding gold/carbene and covalent-bonding chiral ruthenium/diamine active centers, contributed cooperatively to the catalytic performance...
January 18, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28096171/how-well-do-we-currently-care-for-our-dying-patients-in-acute-hospitals-the-views-of-the-bereaved-relatives
#13
Catriona Rachel Mayland, Helen Mulholland, Maureen Gambles, John Ellershaw, Kevin Stewart
BACKGROUND: The National Care of the Dying Audit-Hospitals (NCDAH) is used as a method to evaluate care for dying patients in England. An additional component to the 2013/2014 audit was the Local Survey of Bereaved Relatives Views using the 'Care Of the Dying Evaluation' (CODE) questionnaire. AIM: Within the context of the NCDAH audit, to evaluate quality of care provided to dying patients and their families in acute hospitals from the perspective of bereaved relatives...
January 17, 2017: BMJ Supportive & Palliative Care
https://www.readbyqxmd.com/read/28095734/entrapment-efficiency-of-pyridoxine-hydrochloride-in-unilamellar-liposomes-experimental-versus-model-generated-data
#14
Heba Abd-El-Azim, Alyaa Ramadan, Noha Nafee, Nawal Khalafallah
The present study investigates the effect of the preparation method (four methods) and formulation additives (propylene glycol (PG) and cholesterol (CH)) on the entrapment efficiency (EE) of pyridoxine hydrochloride (vitamin B6 (VB6)), representing hydrophilic water-soluble low permeable vitamins, in unilamellar liposomes. The main aim is to compare determined EE with predicted values generated using a web-published, computational model. Results showed that among the different preparation methods, modified film hydration showed significantly higher EE (p < 0...
January 18, 2017: Journal of Liposome Research
https://www.readbyqxmd.com/read/28095693/solvation-dynamics-in-liquid-water-iii-energy-fluxes-and-structural-changes
#15
Rossend Rey, James T Hynes
In previous installments it has been shown how a detailed analysis of energy fluxes induced by electronic excitation of a solute can provide a quantitative understanding of the dominant molecular energy flow channels characterizing solvation---and in particular, hydration--- relaxation dynamics. Here this work and power approach is complemented with a detailed characterization of the changes induced by such energy fluxes. We first examine the water solvent's spatial and orientational distributions and the assorted energy fluxes in the various hydration shells of the solute to provide a molecular picture of the relaxation...
January 17, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28095569/efficacy-of-a-hand-regimen-in-skin-barrier-protection-in-individuals-with-occupational-irritant-contact-dermatitis
#16
Laura Jordan
BACKGROUND: Occupational irritant contact dermatitis (OICD) is a dif cult and hard to manage condition. It occurs more frequently in certain occupations where contact with harsh chemicals, use of alcohol-based disinfectants, and frequent hand washing heightens the risk. Treatment for OICD includes patient education in addition to physical, topical, and systemic therapies. OBJECTIVE: To review the pathogenesis and treatment options for OICD and evaluate the ef cacy of a selective skin-care regimen involv- ing a hand protectant cream alone as well as combined with a repair cream and speci c cleanser...
November 1, 2016: Journal of Drugs in Dermatology: JDD
https://www.readbyqxmd.com/read/28095568/efficacy-of-a-moisturizing-foam-in-skin-barrier-regeneration-and-itch-relief-in-subjects-prone-to-atopic-dermatitis
#17
Peter A Lio
INTRODUCTION: Atopic dermatitis (AD) is characterized by impaired epidermal barrier with increased transepidermal water loss (TEWL). Scratching further compromises skin integrity, contributing to a cycle of inflammation. The objective of the present study was to investigate a topical anti-itch foam in improving skin barrier and itch. MATERIAL AND METHODS: A single center open study was performed on 26 adults previously diagnosed with AD but without active lesions...
November 1, 2016: Journal of Drugs in Dermatology: JDD
https://www.readbyqxmd.com/read/28095530/the-anti-aging-effects-of-low-oxygen-tension-generated-multipotent-growth-factor-containing-serum
#18
Zoe Diana Draelos, Jwala Karnik, Gail Naughton
Growth factors are a new category of ingredient found in modern cosmeceutical formulations. One novel method of obtaining cosmeceutical growth factors is the use of a bioreactor to culture neonatal broblasts on dextran microcarrier beads for 8 weeks under low oxygen tension (1-5%) mimicking embryonic conditions and eliminating the need for fetal bovine serum constituents in the final cosmetic material. This research evaluated the ingredient in a moisturizing vehicle on 40 females to determine its efficacy in improving overall facial skin appearance, as well as skin brightness, evenness, firmness, pore size, radiance, fine lines, coarse wrinkles, and blotchiness/ dispigmentation...
January 1, 2017: Journal of Drugs in Dermatology: JDD
https://www.readbyqxmd.com/read/28094985/beyond-the-hofmeister-series-ion-specific-effects-on-proteins-and-their-biological-functions
#19
Halil I Okur, Jana Hladílková, Kelvin B Rembert, Younhee Cho, Jan Heyda, Joachim Dzubiella, Paul S Cremer, Pavel Jungwirth
Ions differ in their ability to salt out proteins from solution as expressed in the lyotropic or Hofmeister series of cations and anions. Since its first formulation in 1888, this series has been invoked in a plethora of effects, going beyond the original salting-out/salting-in idea to include enzyme activities and the crystallization of proteins, as well as to processes not involving proteins like ion exchange, the surface tension of electrolytes, or bubble coalescence. Although it has been clear that the Hofmeister series is intimately connected to ion hydration in homogeneous and heterogeneous environments and to ion pairing, its molecular origin has not been fully understood...
January 17, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28094515/nanoporous-materials-for-the-onboard-storage-of-natural-gas
#20
K Vasanth Kumar, Kathrin Preuss, Maria-Magdalena Titirici, Francisco Rodríguez-Reinoso
Climate change, global warming, urban air pollution, energy supply uncertainty and depletion, and rising costs of conventional energy sources are, among others, potential socioeconomic threats that our community faces today. Transportation is one of the primary sectors contributing to oil consumption and global warming, and natural gas (NG) is considered to be a relatively clean transportation fuel that can significantly improve local air quality, reduce greenhouse-gas emissions, and decrease the energy dependency on oil sources...
January 17, 2017: Chemical Reviews
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