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https://www.readbyqxmd.com/read/28301804/reconstructing-diffusion-ordered-nmr-spectroscopy-by-simultaneous-inversion-of-laplace-transform
#1
Bin Yuan, Yiming Ding, Ghulam M Kamal, Limin Shao, Zhiming Zhou, Bin Jiang, Peng Sun, Xu Zhang, Maili Liu
2D diffusion-ordered NMR spectroscopy (DOSY) has been widely recognized as a powerful tool for analyzing mixtures and probing inter-molecular interactions in situ. But it is difficult to differentiate molecules with similar diffusion coefficients in presence of overlapped spectra. Its performance is susceptible to the number of chemical components, and usually gets worse when the number of components increases. Here, to alleviate the problem, numerical simultaneous inversion of Laplace transform (SILT) of many related variables is proposed for reconstructing DOSY spectrum (SILT-DOSY)...
March 7, 2017: Journal of Magnetic Resonance
https://www.readbyqxmd.com/read/28282137/enhanced-performance-of-blended-polymer-excipients-in-delivering-a-hydrophobic-drug-through-the-synergistic-action-of-micelles-and-hpmcas
#2
Ziang Li, Lindsay M Johnson, Ralm G Ricarte, Letitia J Yao, Marc A Hillmyer, Frank S Bates, Timothy P Lodge
Blends of hydroxypropyl methylcellulose acetate succinate (HPMCAS) and dodecyl (C12)-tailed poly(N-isopropylacrylamide) (PNIPAm) were systematically explored as a model system to dispense the active ingredient phenytoin by rapid dissolution, followed by the suppression of drug crystallization for an extended period. Dynamic and static light scattering revealed that C12-PNIPAm polymers, synthesized by reversible addition-fragmentation chain-transfer polymerization, self-assembled into micelles with dodecyl cores in phosphate-buffered saline (PBS, pH 6...
March 10, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28281024/retinal-toxicity-after-cisplatin-based-chemotherapy-in-patients-with-germ-cell-cancer
#3
Simon Dulz, Niels H Asselborn, Klaus-Peter Dieckmann, Cord Matthies, Walter Wagner, Jens Weidmann, Christoph Seidel, Christoph Oing, Lars A Berger, Winfried Alsdorf, Blanche Mankichian, Christian Meyer, Malte W Vetterlein, Philipp Gild, Tim A Ludwig, Armin Soave, Philipp Schriefer, Andreas Becker, Sascha A Ahyai, Karin Oechsle, Carsten Bokemeyer, Lars Wagenfeld, Margit Fisch, Michael Hartmann, Felix K-H Chun, Luis A Kluth
PURPOSE: Visual impairment represents an infrequent form of cisplatin-induced neurotoxicity; however, visual deterioration has been reported in several studies. To evaluate potential morphological and functional retinal alterations in patients with germ cell cancer (GCC) treated with cisplatin-based chemotherapy (CBC). METHODS: Multi-disciplinary and multi-institutional study design. Examination of 28 eyes of 14 male GCC patients, who had received at least one cycle of CBC...
March 9, 2017: Journal of Cancer Research and Clinical Oncology
https://www.readbyqxmd.com/read/28267488/solubility-and-bioavailability-enhancement-of-ciprofloxacin-by-induced-oval-shaped-mono-6-deoxy-6-aminoethylamino-%C3%AE-cyclodextrin
#4
Jae Min Choi, Kyeonghui Park, Benel Lee, Daham Jeong, Someshwar D Dindulkar, Youngjin Choi, Eunae Cho, Seyeon Park, Jae-Hyuk Yu, Seunho Jung
Ciprofloxacin is a broad-spectrum fluoroquinolone antibiotic used to treat bacterial infections; however, its limited aqueous solubility inhibits its broader clinical uses. This study investigated the complexation effect of mono-6-deoxy-6-aminoethylamino-β-cyclodextrin on the aqueous solubility and bioavailability of ciprofloxacin. During complexation, the oval-shaped cavity induced by mono-aminoethylamine substitution on the primary rim of β-cyclodextrin, was considered to be a key factor according to NMR spectroscopy and molecular modeling studies...
May 1, 2017: Carbohydrate Polymers
https://www.readbyqxmd.com/read/28255941/identifying-environmental-and-social-factors-predisposing-to-pathological-gambling-combining-standard-logistic-regression-and-logic-learning-machine
#5
Stefano Parodi, Corrado Dosi, Antonella Zambon, Enrico Ferrari, Marco Muselli
Identifying potential risk factors for problem gambling (PG) is of primary importance for planning preventive and therapeutic interventions. We illustrate a new approach based on the combination of standard logistic regression and an innovative method of supervised data mining (Logic Learning Machine or LLM). Data were taken from a pilot cross-sectional study to identify subjects with PG behaviour, assessed by two internationally validated scales (SOGS and Lie/Bet). Information was obtained from 251 gamblers recruited in six betting establishments...
March 2, 2017: Journal of Gambling Studies
https://www.readbyqxmd.com/read/28255265/novel-non-covalent-stable-supramolecular-ternary-system-comprising-of-cyclodextrin-and-branched-polyethylenimine
#6
Artur Kasprzak, Magdalena Poplawska, Hanna Krawczyk, Sergey Molchanov, Mikolaj Kozlowski, Michal Bystrzejewski
ABSTRACT: The synthesis of a novel supramolecular system comprising of branched polyethylenimine and cyclodextrin, is presented. The synthesis route is based on the self-assembly phenomena with the inclusion of solvent molecules. The systems are formed by a hydrogen-bonding network and host-guest type interactions between the building blocks. It was found that the native cyclodextrin and polyethylenimine are able to form stable systems when the reaction medium constitutes a polar solvent forming host-guest type complexes with cyclodextrin...
2017: Journal of Inclusion Phenomena and Macrocyclic Chemistry
https://www.readbyqxmd.com/read/28252852/etanercept-adalimumab-und-ustekinumab-bei-psoriasis-analyse-von-209-behandlungsreihen-in-%C3%A3-sterreich
#7
Leo Richter, Igor Vujic, Alma Sesti, Babak Monshi, Martina Sanlorenzo, Christian Posch, Klemens Rappersberger
HINTERGRUND UND ZIELE: Biologika werden häufig zur Behandlung der Psoriasis eingesetzt und wurden in zahlreichen klinischen Studien getestet. Allerdings können sich Wirkungen und Nebenwirkungen (AEs) bei "real-world"-Patienten unterscheiden, da diese keiner solch strengen Auswahl und Überwachung unterzogen werden. Wir haben Therapieadhärenz ("Medikamenten-Überlebenszeit"), Wirksamkeit und AEs (Qualität, Zeitpunkt des Auftretens) bei "real-world"-Psoriasis-Patienten, die mit Etanercept, Adalimumab oder Ustekinumab behandelt wurden, untersucht...
March 2017: Journal der Deutschen Dermatologischen Gesellschaft, Journal of the German Society of Dermatology: JDDG
https://www.readbyqxmd.com/read/28244793/ayudas-ergog%C3%A3-nicas-en-el-deporte
#8
Virginia Santesteban Moriones, Javier Ibáñez Santos
Introducción: muy pocos suplementos nutricionales han demostrado científicamente su eficacia como ayuda ergogénica. Esta revisión analizará el monohidrato de creatina (MC), el β-hidroxi-β-metilbutirato (HMB), el bicarbonato sódico (BS), la β-alanina y la cafeína.Objetivos: analizar la eficacia, mecanismos de acción, dosis, efectos adversos y algunos deportes que se pueden beneficiar de su consumo.Métodos: búsqueda en la base de datos PubMed de revisiones bibliográficas de los últimos 15 años y artículos originales de los últimos 5 años de las sustancias estudiadas...
February 1, 2017: Nutrición Hospitalaria: Organo Oficial de la Sociedad Española de Nutrición Parenteral y Enteral
https://www.readbyqxmd.com/read/28242573/biorelevant-physicochemical-profiling-of-e-and-z-resveratrol-determined-from-isomeric-mixtures
#9
Gábor Orgován, Imre Gonda, Béla Noszál
Biorelevant, isomer-specific physicochemical parameters of resveratrol, a multifunctional component in red wines, with cardioprotective, anti-Alzheimer and several other pharmacologic activities were determined. The parameters include site-specific basicities, lipophilicities, solubilities and diffusion constants for the two geometric isomers. The protonation equilibria of (E)- and (Z)-resveratrol were monitored by (1)H NMR-pH titrations. Five closely related auxiliary compounds ((E)-pinostilbene, (Z)-pinostilbene, (E)-pterostilbene, (Z)-pterostilbene and resorcinol) were also studied...
December 19, 2016: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28225114/the-new-supramolecular-nano-aggregate-curcumin-cucurbit-7-uril-synthesis-photophysical-properties-and-biocompatibility-evaluation
#10
Leandro Araújo de Azevedo, Leonis Lourenço da Luz, Jamylle Nunes de Souza Ferro, Emiliano Barreto, Ricardo Oliveira Silva, Severino Alves, Iane Bezerra Vasconcelos Alves
The supramolecular nano-aggregate CUR-CB[7] (CUR = curcumin and CB[7] = cucurbit[7]uril) was efficiently prepared by mixing CUR and CB[7] at a molar ratio of 1 : 1 in ethanol at room temperature. The supramolecular aggregate formation was evidenced by mainly FTIR, (1)H NMR, DOSY and spectroscopy experiments. The supramolecular arrangement promotes the increase in the solubility and stability of CUR without affecting the biological properties of the A549 cells. The luminescence properties of CUR and CUR-CB[7] show anti-Kasha's rule fluorescence, and their remarkable NIR emission enables this material to be used as a luminescent probe and marker for in vivo tracking and structural integrity monitoring of the supramolecular complex...
February 22, 2017: Photochemical & Photobiological Sciences
https://www.readbyqxmd.com/read/28219247/addressing-analytical-challenges-of-the-environmental-monitoring-for-the-water-framework-directive-erm-ce100-a-new-biota-certified-reference-material
#11
Ioannis Dosis, Marina Ricci, Laszlo Majoros, Roberto Lava, Håkan Emteborg, Andrea Held, Hendrik Emons
In the context of supporting the EU Member States in the implementation of the EU Water Framework Directive (WFD), a project for the production of a fish reference material (ERM-CE100) certified for its content of the two priority substances hexachlorobenzene (HCB) and hexachlorobutadiene (HCBD) was carried out at the Joint Research Centre (JRC) of the European Commission. The starting material was naturally contaminated Wels catfish (Silurus glanis), caught in the Ebro River (Spain). A novel approach for the processing of the fish was tested that resulted in a homogeneous and stable reference material in the form of a wet paste...
February 21, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28219117/resolving-dosy-spectra-of-isomers-by-methanol-d4-solvent-effects
#12
Indrek Reile, Ruud L E G Aspers, Martin C Feiters, Floris P J T Rutjes, Marco Tessari
DOSY analysis can resolve analytes according to their molecular size, offering a complementary way to traditional 2D NMR spectroscopy in the study of chemical mixtures. Applications are, however, limited if analytes have similar shape and size, as is the case in isomer mixtures. Herein we show how solvent effects in methanol-d4 , a common solvent in NMR laboratories, allow to overcome this limitation and provide increased separation of isomeric compounds. Clear NMR signal separation of eight structurally related analytes within a molecular weight (MW) range of three units is demonstrated, allowing unambiguous analysis of a mixture that would have otherwise been unsuitable for DOSY...
February 20, 2017: Magnetic Resonance in Chemistry: MRC
https://www.readbyqxmd.com/read/28214300/sentinel-lymphknoten-biopsie-des-melanoms-mittels-indocyaningr%C3%A3-n-und-fovis-system
#13
Daniela Göppner, Stephan Nekwasil, Anne Jellestad, Alexander Sachse, Karl-Heinz Schönborn, Harald Gollnick
HINTERGRUND: Der Nachweis metastatischer Infiltrate im Sentinel-Lymphkoten (SLN) gilt als wesentlicher prognostischer Faktor des Melanoms. Alternativ zur Farbstoffmethode mit Patentblau zum Goldstandard der SLN-Biopsie (SLNB) mittels Radiokolloid wird die fluoreszenzoptische Darstellung mit Hilfe von Indocyaningrün (ICG) und Nahinfrarot (NIR)-Kamerasystem kommuniziert. Im Vergleich zur konventionellen Methode wurde die Wertigkeit des ICG-/NIR-Verfahrens in Abhängigkeit vom Body-Mass-Index (BMI) des Patienten und der Konzentration von ICG bezüglich der Visualisierung des Lymphabstroms und des SLNs untersucht...
February 2017: Journal der Deutschen Dermatologischen Gesellschaft, Journal of the German Society of Dermatology: JDDG
https://www.readbyqxmd.com/read/28211640/complexation-of-oxethazaine-with-2-hydroxypropyl-%C3%AE-cyclodextrin-increased-drug-solubility-decreased-cytotoxicity-and-analgesia-at-inflamed-tissues
#14
Andressa R Prado, Fabiano Yokaichiya, Margareth Kazuyo Kobayashi Dias Franco, Camila Morais Gonçalves da Silva, Laura Oliveira-Nascimento, Michelle Franz-Montan, Maria C Volpato, Luís F Cabeça, Eneida de Paula
OBJECTIVES: Oxethazaine (OXZ) is one of the few local anaesthetics that provides analgesia at low pH, but presents poor solubility, cytotoxicity and no parenteral formulations. To address these issues, we aimed to prepare OXZ host-guest inclusion complex with hydroxypropyl-beta-cyclodextrin (HP-β-CD). METHODS: The inclusion complex was formed by co-solubilization, followed by a job plot analysis to determine stoichiometry of complexation and dialysis equilibrium analysis (based on UV/VIS absorption and fluorescence profiles of OXZ)...
February 17, 2017: Journal of Pharmacy and Pharmacology
https://www.readbyqxmd.com/read/28176492/coordination-driven-dimerization-of-zinc-chlorophyll-derivatives-possessing-a-dialkylamino-group-in-dichloromethane
#15
Hiroaki Watanabe, Yusuke Kamatani, Hitoshi Tamiaki
Zinc chlorophyll derivatives Zn-1~3 possessing a tertiary amino group at the C3¹ position were synthesized through reductive amination of methyl pyropheophorbide-d obtained from naturally occurring chlorophyll-a. In a concentrated CH₂Cl₂ solution as well as a diluted 10%(v/v) CH₂Cl₂-hexane solution, Zn-1 possessing a dimethylamino group at the C3¹ position showed red-shifted UV-Vis absorption and intensified exciton-coupling CD spectra at room temperature due to its dimer formation via coordination to the central zinc by the 3¹-N atom of the dimethylamino group...
February 8, 2017: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/28140533/kombinierte-hoch-niedrig-dosis-therapie-mit-systemischen-glukokor-tikoiden-bei-schweren-verlaufsformen-der-alopecia-areata-im-kindesalter
#16
Karin Jahn-Bassler, Wolfgang Michael Bauer, Franz Karlhofer, Matthias G Vossen, Georg Stingl
HINTERGRUND: Schwere Verlaufsformen der Alopecia areata (AA) im Kindesalter sind aufgrund limitierter Optionen therapeutisch herausfordernd. Systemische, hochdosierte Glukokortikoide weisen die schnellste Ansprechrate auf, nach dem Absetzen kommt es allerdings zu Rezidiven. Eine längerfristige Hochdosis-Anwendung ist aufgrund der zu erwartenden Nebenwirkungen nicht empfehlenswert. Eine dauerhafte Steroiderhaltungstherapie unterhalb der Cushing-Schwellen-Dosis nach Bolustherapie könnte die Krankheitsaktivität ohne Nebenwirkungen längerfristig unterdrücken...
January 2017: Journal der Deutschen Dermatologischen Gesellschaft, Journal of the German Society of Dermatology: JDDG
https://www.readbyqxmd.com/read/28120953/palma-an-improved-algorithm-for-dosy-signal-processing
#17
Afef Cherni, Emilie Chouzenoux, Marc-André Delsuc
NMR is a tool of choice for the measurement of diffusion coefficients of species in solution. The DOSY experiment, a 2D implementation of this measurement, has been proven to be particularly useful for the study of complex mixtures, molecular interactions, polymers, etc. However, DOSY data analysis requires to resort to the inverse Laplace transform, in particular for polydisperse samples. This is a known difficult numerical task for which we present here a novel approach. A new algorithm based on a splitting scheme and on the use of proximity operators is introduced...
January 25, 2017: Analyst
https://www.readbyqxmd.com/read/28111499/nmr-techniques-in-metabolomic-studies-a-quick-overview-on-examples-of-utilization
#18
REVIEW
Joanna Kruk, Marek Doskocz, Elżbieta Jodłowska, Anna Zacharzewska, Joanna Łakomiec, Kornelia Czaja, Jacek Kujawski
Metabolomics is a rapidly developing branch of science that concentrates on identifying biologically active molecules with potential biomarker properties. To define the best biomarkers for diseases, metabolomics uses both models (in vitro, animals) and human, as well as, various techniques such as mass spectroscopy, gas chromatography, liquid chromatography, infrared and UV-VIS spectroscopy and nuclear magnetic resonance. The last one takes advantage of the magnetic properties of certain nuclei, such as (1)H, (13)C, (31)P, (19)F, especially their ability to absorb and emit energy, what is crucial for analyzing samples...
2017: Applied Magnetic Resonance
https://www.readbyqxmd.com/read/28099023/computational-models-of-the-gastrointestinal-environment-1-the-effect-of-digestion-on-the-phase-behavior-of-intestinal-fluids
#19
Woldeamanuel A Birru, Dallas B Warren, Stephen J Headey, Hassan Benameur, Christopher J H Porter, Colin W Pouton, David K Chalmers
Improved models of the gastrointestinal environment have great potential to assist the complex process of drug formulation. Molecular dynamics (MD) is a powerful method for investigating phase behavior at a molecular level. In this study we use multiple MD simulations to calculate phase diagrams for bile before and after digestion. In these computational models, undigested bile is represented by mixtures of palmitoyl-oleoylphosphatidylcholine (POPC), sodium glycodeoxycholate (GDX), and water. Digested bile is modeled using a 1:1 mixture of oleic acid and palmitoylphosphatidylcholine (lysophosphatidylcholine, LPC), GDX, and water...
February 15, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28090681/excess-of-exercise-increases-the-risk-of-atrial-fibrillation
#20
REVIEW
A Müssigbrodt, A Weber, J Mandrola, Y van Belle, S Richter, M Döring, A Arya, P Sommer, A Bollmann, G Hindricks
An interesting and still not well-understood example for old medical wisdom "Sola dosis facit venenum" is the increased prevalence of atrial fibrillation (AF) in athletes. Numerous studies have shown a fourfold to eightfold increased risk of AF in athletes compared to the normal population. Analysis of the existing data suggests a dose-dependent effect of exercise. Moderate exercise seems to have a protective effect and decreases the risk of AF, whereas excessive exercise seems to increase the risk of AF. The described cases illustrate clinical manifestations within the spectrum of AF in elderly athletes, that is, exercise-induced AF, vagal AF, chronic AF, and atrial flutter...
January 16, 2017: Scandinavian Journal of Medicine & Science in Sports
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