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https://www.readbyqxmd.com/read/28107633/binding-and-proton-blockage-by-amantadine-variants-of-the-influenza-m2wt-and-m2s31n-explained
#1
Christina Tzitzoglaki, Anna K Wright, Kathrin-Maria Freudenberger, Anja Hoffmann, Ian Tietjen, Ioannis Stylianakis, Felix Kolarov, David Fedida, Michaela Schmidtke, Guenter Gauglitz, Timothy A Cross, Antonios Kolocouris
While aminoadamantanes are well-established inhibitors of the influenza A M2 proton channel, the mechanisms by which they are rendered ineffective against M2S31N are unclear. Solid state NMR, isothermal titration calorimetry, electrophysiology, anti-viral assays and molecular dynamics simulations suggest stronger binding interactions for aminoadamantanes to M2WT compared to negligible or weak binding to M2S31N. This is due to reshaping of the M2pore when N31 is present, which in contrast to WT, leads: A) to the loss of the V27 pocket for the adamantyl cage and to a predominant orientation of the ligand's ammonium group toward the N-terminus and, B) to the lack of a helical kink upon ligand binding...
January 20, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28107545/food-acid-content-and-erosive-potential-of-sugar-free-confections
#2
P Shen, G D Walker, Y Yuan, C Reynolds, M A Stacey, E C Reynolds
BACKGROUND: Dental erosion is an increasingly prevalent problem associated with frequent consumption of acidic foods and beverages. The aim of this study was to measure the food acid content and the erosive potential of a variety of sugar-free confections. METHODS: Thirty sugar-free confections were selected and extracts analysed to determine pH, titratable acidity, chemical composition and apparent degree of saturation with respect to apatite. The effect of the sugar-free confections in artificial saliva on human enamel was determined in an in vitro dental erosion assay using change in surface microhardness...
January 20, 2017: Australian Dental Journal
https://www.readbyqxmd.com/read/28107373/dexmedetomidine-versus-midazolam-in-procedural-sedation-a-systematic-review-of-efficacy-and-safety
#3
Clemens R M Barends, Anthony Absalom, Baucke van Minnen, Arjan Vissink, Anita Visser
OBJECTIVES: To systematically review the literature comparing the efficacy and safety of dexmedetomidine and midazolam when used for procedural sedation. MATERIALS AND METHODS: We searched MEDLINE, EMBASE and COCHRANE for clinical trials comparing dexmedetomidine and midazolam for procedural sedation up to June 20, 2016. Inclusion criteria: clinical trial, human subjects, adult subjects (≥18 years), article written in English, German, French or Dutch, use of study medication for conscious sedation and at least one group receiving dexmedetomidine and one group receiving midazolam...
2017: PloS One
https://www.readbyqxmd.com/read/28107357/vasopressor-use-for-severe-hypotension-a-multicentre-prospective-observational-study
#4
Francois Lamontagne, Deborah J Cook, Maureen O Meade, Andrew Seely, Andrew G Day, Emmanuel Charbonney, Karim Serri, Yoanna Skrobik, Paul Hebert, Charles St-Arnaud, Hector Quiroz-Martinez, Michaël Mayette, Daren K Heyland
BACKGROUND: The optimal approach to titrate vasopressor therapy is unclear. Recent sepsis guidelines recommend a mean arterial pressure (MAP) target of 65 mmHg and higher for chronic hypertensive patients. As data emerge from clinical trials comparing blood pressure targets for vasopressor therapy, an accurate description of usual care is required to interpret study results. Our aim was to measure MAP values during vasopressor therapy in Canadian intensive care units (ICUs) and to compare these with stated practices and guidelines...
2017: PloS One
https://www.readbyqxmd.com/read/28105806/determination-of-the-surface-oxidation-degree-of-the-carbonaceous-materials-by-quantitative-tg-ms-analysis
#5
Gabriela Hotová, Václav Slovák
The developed quantitative TG-MS analysis was used for the determination of the surface oxidation degree of activated carbon cryogels. The surface chemistry of a prepared carbon cryogels pyrolyzed at 400 and 500 °C was modified using H3PO4, Fenton-like reaction, (NH4)2S2O8 with H2SO4 and HNO3 with H2O2 into a different surface oxidation degree. The influence of activation method and the amount of oxygen surface groups were characterized by elemental analysis, immersion calorimetry, water vapor adsorption, and Boehm titration...
January 11, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28105791/the-future-of-pleiotropic-therapy-in-heart-failure-lessons-from-the-benefits-of-exercise-training-on-endothelial-function
#6
REVIEW
Gilles W De Keulenaer, Vincent F M Segers, Faiez Zannad, Dirk L Brutsaert
A novel generation of drugs is introduced in the treatment of heart failure (HF). These drugs, including phosphodiesterase-5 inhibitors, guanylate cyclase stimulators and activators, share the feature that their action is either endothelial-mediated or substitutes for endothelial pathways, in particular the nitric oxide-cyclic guanosine monophosphate pathway, thereby influencing homeostatic balances in virtually each organ system in a pleiotropic fashion. Unfortunately, recent clinical trials with some of these drugs have shown disappointing results, at least in the setting of HF with a preserved ejection fraction...
January 19, 2017: European Journal of Heart Failure
https://www.readbyqxmd.com/read/28105735/observational-registry-of-basal-insulin-treatment-orbit-in-patients-with-type-2-diabetes-uncontrolled-with-oral-antihyperglycaemic-drugs-real-life-use-of-basal-insulin-in-china
#7
Linong Ji, Puhong Zhang, Dongshan Zhu, Xian Li, Jiachao Ji, Juming Lu, Xiaohui Guo, Weiping Jia, Jianping Weng, Yangfeng Wu, Wenying Yang, Dajin Zou, Zhiguang Zhou, Changyu Pan, Yan Gao, Satish K Garg
AIMS: To examine treatment patterns following basal insulin (BI) introduction in type 2 diabetes mellitus (T2DM) patients under real-world conditions across China. MATERIALS AND METHODS: Overall, 18,995 patients inadequately controlled [HbA1c ≥ 53 mmol/mol (7%)] with oral antihyperglycaemic drugs (OADs) and willing to receive BI treatment were registered at 209 hospitals and followed at baseline (visit 1), 3 months (visit 2), and 6 months (visit 3). Type of BI was initiated at physicians' discretion...
January 20, 2017: Diabetes, Obesity & Metabolism
https://www.readbyqxmd.com/read/28103693/the-logic-behind-a-physical-organic-chemist-s-research-topics
#8
Charles L Perrin
Although my research has no common theme or defining area, a coherence connects the diverse topics insofar as one project leads logically to another. Thus, studies on mechanisms of hydrogen exchange in amides and amidines led to the influence of hydrogen bonding and to NMR methods for chemical kinetics, including 2D-EXSY spectroscopy. Another connection was the OH(-)-catalyzed NH exchange in amines that had supported the hypothesis of stereoelectronic control. We therefore analyzed that hypothesis critically, tested it, found counterexamples, and proposed an alternative hypothesis...
January 20, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28103448/bedside-contribution-of-electrical-impedance-tomography-to-set-positive-end-expiratory-pressure-for-ecmo-treated-severe-ards-patients
#9
Guillaume Franchineau, Nicolas Bréchot, Guillaume Lebreton, Guillaume Hekimian, Ania Nieszkowska, Jean-Louis Trouillet, Pascal Leprince, Jean Chastre, Charles-Edouard Luyt, Alain Combes, Matthieu Schmidt
RATIONALE: Optimal positive end-expiratory pressure (PEEP) is unknown in severe acute respiratory distress syndrome (ARDS) patients on extracorporeal membrane oxygenation (ECMO) receiving mechanical ventilation with very low tidal volume. OBJECTIVES: To evaluate electrical impedance tomography's (EIT) ability to monitor a PEEP trial and to derive from EIT the best compromise PEEP in this setting. METHODS: A decremental PEEP trial (20-0 cmH2O) in 5 cmH2O steps was monitored by EIT, with lung images divided into four ventral-to-dorsal horizontal regions of interest...
January 19, 2017: American Journal of Respiratory and Critical Care Medicine
https://www.readbyqxmd.com/read/28102680/ionicity-of-protic-ionic-liquid-quantitative-measurement-by-spectroscopic-methods
#10
Minming Shen, Yuyang Zhang, Kaizhou Chen, Siying Che, Jia Yao, Haoran Li
The ionicity value, which is a key property of protic ionic liquids, was obtained by the attenuated total reflection Fourier transform infrared spectroscopy and nuclear magnetic resonance respectively for a protic ionic liquid: n-propylammonium acetate. The method of potentiometric titration is found not suitable for such kind of ionic liquid as the ∆pKa of the compositing acid and base is relatively small. In the IR spectrum, molecular species can be directly observed in the range 1200-1800 cm-1, and the ratio of ionic and molecular species can be quantitatively calculated by the area of characteristic absorption peaks calibrated by standard curve from NaAc/HAc solutions...
January 19, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28102615/comparative-effectiveness-of-venous-thromboembolism-prophylaxis-options-for-the-patient-undergoing-total-hip-and-knee-replacement-a-network-meta-analysis
#11
A Kapoor, A Ellis, N Shaffer, J Gurwitz, A Chandramohan, J Saulino, A Ishak, T Okubanjo, F Michota, E Hylek, T A Trikalinos
: Essentials Despite trial data, guidelines have not endorsed direct oral Xa inhibitors above other options. We provide profiles of venous thromboembolism and hemorrhage risk for 12 options. Direct oral Xa inhibitors had a favorable profile compared with low-molecular-weight heparin. Other options did not have favorable profiles compared with low-molecular-weight heparin. SUMMARY: Background There are numerous trials and several meta-analyses comparing venous thromboembolism (VTE) prophylaxis options after total hip and knee replacement (THR and TKR)...
November 7, 2016: Journal of Thrombosis and Haemostasis: JTH
https://www.readbyqxmd.com/read/28102286/chelerythrine-down-regulates-expression-of-vegfa-bcl2-and-kras-by-arresting-g-quadruplex-structures-at-their-promoter-regions
#12
Jagannath Jana, Soma Mondal, Payel Bhattacharjee, Pallabi Sengupta, Tanaya Roychowdhury, Pranay Saha, Pallob Kundu, Subhrangsu Chatterjee
A putative anticancer plant alkaloid, Chelerythrine binds to G-quadruplexes at promoters of VEGFA, BCL2 and KRAS genes and down regulates their expression. The association of Chelerythrine to G-quadruplex at the promoters of these oncogenes were monitored using UV absorption spectroscopy, fluorescence anisotropy, circular dichroism spectroscopy, CD melting, isothermal titration calorimetry, molecular dynamics simulation and quantitative RT-PCR technique. The pronounced hypochromism accompanied by red shifts in UV absorption spectroscopy in conjunction with ethidium bromide displacement assay indicates end stacking mode of interaction of Chelerythrine with the corresponding G-quadruplex structures...
January 19, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28101950/molecular-binding-of-toxic-phenothiazinium-derivatives-azures-to-bovine-serum-albumin-a-comparative-spectroscopic-calorimetric-and-in-silico-study
#13
Somnath Das, Md Maidul Islam, Gopal Chandra Jana, Anirudha Patra, Pradeep K Jha, Maidul Hossain
In this paper, the comparative binding behavior of antimalarial drug azure A, azure B and azure C with bovine serum albumin (BSA) has been studied. The interaction has been confirmed by multispectroscopic (UV, fluorescence, Fourier transform infrared (FT-IR), and circular dichroism) and molecular docking techniques. The experimental results show that azure B has the highest BSA binding affinity followed by azure A and azure C. The experimental evidence of binding showed a static quenching mechanism in the interaction azures with BSA...
January 19, 2017: Journal of Molecular Recognition: JMR
https://www.readbyqxmd.com/read/28101764/diazepam-in-the-treatment-of-moderate-to-severe-alcohol-withdrawal
#14
Steven J Weintraub
Benzodiazepines ameliorate or prevent the symptoms and complications of moderate to severe alcohol withdrawal, which can include autonomic hyperactivity, agitation, combativeness, hallucinations, seizures, delirium, and death. The benzodiazepines most commonly used for this purpose are lorazepam, chlordiazepoxide, oxazepam, and diazepam. It is widely asserted that no member of this group is superior to the others for treatment of alcohol withdrawal. However, of these, diazepam has the shortest time to peak effect, which facilitates both rapid control of symptoms and accurate titration to avoid over-sedation...
January 18, 2017: CNS Drugs
https://www.readbyqxmd.com/read/28101708/characterization-of-interaction-between-amino-acids-and-fulvic-like-organic-matter-by-fluorescence-spectroscopy-combining-thermodynamic-calculation
#15
Tao Lin, Bingwei Hou, Jian Wang, Yaqun Xu, Wei Chen
Dissolved organic matter (DOM), as a very fine colloidal suspension, could inevitably affect the transformation process of dissolved organic nitrogen (DON) in drinking water treatment. Tryptophan and tyrosine were used as representatives of DON to investigate the interactions between amino acids and fulvic-like components of fluorescent DOM using titration experiments. The fluorescence intensity decreased significantly with the increasing fulvic acid (FA) concentration, suggesting that FA could greatly quench the intrinsic fluorescence of amino acids such as tryptophan and tyrosine...
January 18, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28100630/a-multivariable-prediction-model-for-pegvisomant-dosing-monotherapy-and-in-combination-with-long-acting-somatostatin-analogues
#16
Sanne Elisabeth Franck, Tim Korevaar, Patrick Petrossians, Adrian F Daly, Philippe Chanson, Marielise Jaffrian-Rea, Thierry Brue, Günter K Stalla, Davide Carvalho, Annamaria Anita Livia Colao, Vasik Hana, Brigitte Delemer, Carmen Fajardo Montañana, A J Van der Lely, Albert Beckers, Sebastian J C M M Neggers
BACKGROUND: Effective treatment of acromegaly with pegvisomant (PEGV), a growth hormone receptor antagonist, requires an appropriate dose titration. PEGV doses vary widely among individual patients, and various covariates may affect its dosing and pharmacokinetics. OBJECTIVE: To identify predictors of the PEGV dose required to normalize insulin-like growth factor I (IGF-I) levels during PEGV monotherapy and in combination with long-acting somatostatin analogues (LA-SSAs)...
January 18, 2017: European Journal of Endocrinology
https://www.readbyqxmd.com/read/28100579/acute-mania-after-levothyroxine-replacement-for-hypothyroid-induced-heart-block
#17
Marc Gregory Yu, Karen Marie Flores, Iris Thiele Isip-Tan
Psychiatric disturbances can manifest after levothyroxine (LT4) treatment for severe hypothyroidism. We present the case of a young Filipino man with Hashimoto's thyroiditis and high-grade heart block, who was given a full replacement LT4 dose on admission. Twenty-four hours after this dose, he developed manic symptoms, which were addressed with sedatives and neuroleptics with gradual restoration of euthymia the following day. A comprehensive workup did not reveal any findings suggestive of another aetiology for either mania or heart block...
January 18, 2017: BMJ Case Reports
https://www.readbyqxmd.com/read/28098980/ruthenium-ii-complex-based-luminescent-bifunctional-probe-for-ag-and-phosphate-ions-ag-assisted-detection-and-imaging-of-rrna
#18
Sanjoy Kumar Sheet, Bhaskar Sen, Romita Thounaojam, Kripamoy Aguan, Snehadrinarayan Khatua
A new bis-heteroleptic Ru(II) complex (1) of benzimidazole-substituted 1,2,3-triazole pyridine ligand has been designed and constructed for the photoluminescent detection of cationic and anionic analytes, Ag(+) and phosphate ions. Compound, 1[PF6]2 was fully characterized by various spectroscopic techniques and the solid-state structure was determined via single-crystal X-ray diffraction. The cation and anion sensing properties in 50% aqueous buffer (pH 9.2) and pure acetonitrile were carefully examined in photoluminescence (PL) spectroscopy...
January 18, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28098284/oxygen-vacancy-ordering-in-srfe0-25co0-75o2-63-perovskite-material
#19
Javier Fernández Sanjulián, Madhu Chennabasappa, Susana García-Martín, Gwilherm Nénert, Alain Wattiaux, Etienne Gaudin, Olivier Toulemonde
SrFe0.25Co0.75O2.63 was synthesized by a solid-state reaction. Its structural study at room temperature using conventional X-ray as well as neutron powder diffraction, electron diffraction and high-resolution transmission electron microscopy is presented. An oxygen-vacancy ordering related to the "314" model known for the Sr3Y1Co4O10.5 oxide is proposed despite neither an A-site ordering nor an A-site mismatch. By means of Mössbauer spectroscopy, Mohr salt titration and the difference in the neutron cross sections of Fe and Co, a cation distribution within the crystallographic sites as the following Sr4(Fe0...
January 18, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28096471/resolving-the-brainstem-contributions-to-attentional-analgesia-in-man
#20
Jonathan C W Brooks, Wendy-Elizabeth Davies, Anthony E Pickering
: Previous human imaging studies manipulating attention or expectancy have identified the periaqueductal gray (PAG) as a key brainstem structure implicated in endogenous analgesia. However, animal studies indicate that PAG analgesia is mediated largely via caudal brainstem structures like the rostral ventromedial medulla (RVM) and locus coeruleus (LC). To identify their involvement in endogenous analgesia, we used brainstem optimised, whole-brain imaging to record responses to concurrent thermal stimulation (left forearm) and visual attention tasks of titrated difficulty in 20 healthy subjects...
January 17, 2017: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
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