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https://www.readbyqxmd.com/read/28644553/structural-insights-into-the-inclusion-complexes-between-clomiphene-citrate-and-%C3%AE-cyclodextrin-the-mechanism-of-preferential-isomeric-selection
#1
Arti Maheshwari, Harish Saraswat, Santosh Kumar Upadhyay
A major challenge in pharmaceuticals for clinical applications is to alter the solubility, stability, and toxicity of drug molecules in living systems. Cyclodextrins (CDs) have the ability to form host-guest inclusion complexes with pharmaceuticals for further development of new drug formulations. The inclusion complex of clomiphene citrate (CL), a poorly water-soluble drug, with native β-cyclodextrin (β-CD) was characterized by a one and two-dimensional nuclear magnetic resonance (NMR) spectroscopic approach and also by molecular docking techniques...
June 23, 2017: Chirality
https://www.readbyqxmd.com/read/28644137/analyses-of-germline-variants-associated-with-ovarian-cancer-survival-identify-functional-candidates-at-the-1q22-and-19p12-outcome-loci
#2
Dylan M Glubb, Sharon E Johnatty, Michael C J Quinn, Tracy A O'Mara, Jonathan P Tyrer, Bo Gao, Peter A Fasching, Matthias W Beckmann, Diether Lambrechts, Ignace Vergote, Digna R Velez Edwards, Alicia Beeghly-Fadiel, Javier Benitez, Maria J Garcia, Marc T Goodman, Pamela J Thompson, Thilo Dörk, Matthias Dürst, Francesmary Modungo, Kirsten Moysich, Florian Heitz, Andreas du Bois, Jacobus Pfisterer, Peter Hillemanns, Beth Y Karlan, Jenny Lester, Ellen L Goode, Julie M Cunningham, Stacey J Winham, Melissa C Larson, Bryan M McCauley, Susanne Krüger Kjær, Allan Jensen, Joellen M Schildkraut, Andrew Berchuck, Daniel W Cramer, Kathryn L Terry, Helga B Salvesen, Line Bjorge, Penny M Webb, Peter Grant, Tanja Pejovic, Melissa Moffitt, Claus K Hogdall, Estrid Hogdall, James Paul, Rosalind Glasspool, Marcus Bernardini, Alicia Tone, David Huntsman, Michelle Woo, Aocs Group, Anna deFazio, Catherine J Kennedy, Paul D P Pharoah, Stuart MacGregor, Georgia Chenevix-Trench
We previously identified associations with ovarian cancer outcome at five genetic loci. To identify putatively causal genetic variants and target genes, we prioritized two ovarian outcome loci (1q22 and 19p12) for further study. Bioinformatic and functional genetic analyses indicated that MEF2D and ZNF100 are targets of candidate outcome variants at 1q22 and 19p12, respectively. At 19p12, the chromatin interaction of a putative regulatory element with the ZNF100 promoter region correlated with candidate outcome variants...
June 15, 2017: Oncotarget
https://www.readbyqxmd.com/read/28643874/2-6-bis-diazaboryl-pyridine-a-superbasic-sterically-demanding-pyridine-ligand
#3
Tobias Böttcher, Daniel Himmel, Jan Schröder
Herein we present a convenient one-pot route to a sterically demanding superbasic pyridine. Functionalization of the 2,6-positions with the highly sigma-donating boryl-groups shifts the calculated gas phase basicity of the pyridine's nitrogen atom to 1012 kJ mol-1, which outperforms the 'proton sponge' 1,8-bis(dimethylamino)naphthalene (996 kJ mol-1). The diazaboryl groups are oriented orthogonal to the pyridine ring and do not block the N-position, resembling the geometry of commonly used N-heterocyclic carbenes...
June 23, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28643620/adult-dogs-are-capable-of-regulating-calcium-balance-with-no-adverse-effects-on-health-when-fed-a-high-calcium-diet
#4
Jonathan Stockman, Phillip Watson, Matthew Gilham, David Allaway, Jujhar Atwal, Richard Haydock, Alison Colyer, Helen Renfrew, Penelope J Morris
Although the implications of long-term high Ca intakes have been well documented in growing dogs, the health consequences of Ca excess in adult dogs remain to be established. To evaluate the impact of feeding a diet containing 7·1 g/4184 kJ (1000 kcal) Ca for 40 weeks on Ca balance and health parameters in adult dogs, eighteen neutered adult Labrador Retrievers, (nine males and nine females) aged 2·5-7·4 years were randomised to one of two customised diets for 40 weeks. The diets were manufactured according to similar nutritional specifications, with the exception of Ca and P levels...
May 2017: British Journal of Nutrition
https://www.readbyqxmd.com/read/28643282/energy-and-exergy-optimization-of-food-waste-pretreatment-and-incineration
#5
Yuanjun Tang, Jun Dong, Yong Chi, Zhaozhi Zhou, Mingjiang Ni
With the aim of upgrading current food waste (FW) management strategy, a novel FW hydrothermal pretreatment and air-drying incineration system is proposed and optimized from an energy and exergy perspective. Parameters considered include the extracted steam quality, the final moisture content of dehydrated FW, and the reactor thermal efficiency. Results show that optimal working condition can be obtained when the temperature and pressure of extracted steam are 159 °C and 0.17 MPa, the final moisture content of dehydrated FW is 10%, and the reactor thermal efficiency is 90%...
June 22, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/28643021/the-effect-of-14-3-3%C3%AE-expression-on-tamoxifen-resistance-and-breast-cancer-recurrence-a-danish-population-based-study
#6
Jake E Thistle, Ylva Hellberg, Kristina Mortensen, Stephen Hamilton-Dutoit, Anders Kjærsgaard, Deirdre Cronin-Fenton, Henrik Toft Sørensen, Timothy L Lash
PURPOSE: Overexpression of 14-3-3ζ has been linked to breast cancer recurrence in several studies, including studies assessing its effect on tamoxifen resistance. The study was performed to estimate the effect of 14-3-3ζ and differentiate potential prognostic or predictive utility. METHODS: A case-control study, nested in a population of 11,251 females residing on the Jutland Peninsula of Denmark, was performed. Participants were aged 35-69, diagnosed with stage I, II, or III breast cancer between 1985 and 2001, and registered with the Danish Breast Cancer Cooperative Group...
June 22, 2017: Breast Cancer Research and Treatment
https://www.readbyqxmd.com/read/28641207/ros-and-calcium-signaling-mediated-pathways-involved-in-stress-responses-of-the-marine-microalgae-dunaliella-salina-to-enhanced-uv-b-radiation
#7
Xinxin Zhang, Xuexi Tang, Ming Wang, Wei Zhang, Bin Zhou, You Wang
UV-B ray has been addressed to trigger common metabolic responses on marine microalgae, however, the upstream events responsible for these changes in marine microalgae are poorly understood. In the present study, a species of marine green microalgae Dunaliella salina was exposed to a series of enhanced UV-B radiation ranging from 0.25 to 1.00 KJ·m(-2) per day. The role of ROS and calcium signaling in the D. salina responses to UV-B was discussed. Results showed that enhanced UV-B radiation markedly decreased the cell density in a dose-dependent manner, but the contents of protein and glycerol that were essential for cell growth increased...
May 28, 2017: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/28641001/atropisomerism-in-tertiary-biaryl-2-amides-a-study-of-ar-co-and-ar-ar-rotational-barriers
#8
Marianne Lorentzen, Indrek Kalvet, Françoise Sauriol, Toni Rantanen, Kåre Bredeli Jørgensen, Victor Snieckus
A rotational barrier study was performed on eight tertiary biaryl 2-amides using variable temperature (VT) NMR and exchange (EXSY) spectroscopy experiments. Seven out of the eight 2-amido-2'-methylbiphenyls with additional 3- and 6-substitution patterns (1-7) were found to have approximately similar rotational barriers (G‡ Tc= 56.5 - 67.5 kJ/mol). However, for both 3- and 6-substitution (8), the rotational barrier was found to be significantly higher (G‡ = 102.6-103.8 kJ/mol). Computational studies performed on all eight compounds gave results in good agreement with the experimental rotational barriers...
June 22, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28640522/defective-tungsten-oxide-hydrate-nanosheets-for-boosting-aerobic-coupling-of-amines-synergistic-catalysis-by-oxygen-vacancies-and-br%C3%A3-nsted-acid-sites
#9
Ning Zhang, Xiyu Li, Yifei Liu, Ran Long, Mengqiao Li, Shuangming Chen, Zeming Qi, Chengming Wang, Li Song, Jun Jiang, Yujie Xiong
Adsorption and activation of molecules on a surface holds the key to heterogeneous catalysis toward aerobic oxidative reactions. To achieve high catalytic activities, a catalyst surface should be rationally tailored to interact with both organic substrates and oxygen molecules. Here, a facile bottom-up approach to defective tungsten oxide hydrate (WO3 ·H2 O) nanosheets that contain both surface defects and lattice water is reported. The defective WO3 ·H2 O nanosheets exhibit excellent catalytic activity for aerobic coupling of amines to imines...
June 22, 2017: Small
https://www.readbyqxmd.com/read/28639646/monovalent-and-bivalent-cations-exchange-isotherms-for-faujasites-x-and-y
#10
Y Khabzina, C Laroche, C Pagis, D Farrusseng
This study addresses the modeling of exchange isotherms for faujasite-type zeolites X and Y with K(+), Cs(+), Ca(2+) and Ba(2+) cations based on a large experimental dataset obtained under operating conditions of 0.5 N total normality and an exchange temperature of 80 °C. The isotherm models are based on the mass action law. Ideal solution phase is assumed. Heterogeneity of the solid phase is taken into account by using Barrer and Klinowski's approach to multi-site exchange. Three types of exchange sites are identified on these zeolites...
June 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28639112/kuguacin-j-isolated-from-bitter-melon-leaves-modulates-paclitaxel-sensitivity-in-drug-resistant-human-ovarian-cancer-cells
#11
Pornsiri Pitchakarn, Sonthaya Umsumarng, Sariya Mapoung, Pisamai Ting, Piya Temviriyanukul, Wanisa Punfa, Wilart Pompimon, Pornngarm Limtrakul
We previously reported the multidrug resistance-reversing ability of kuguacin J (KJ) in cervical cancer cells via the inhibition of P-glycoprotein (P-gp) function. This study investigated whether KJ could promote cisplatin- and paclitaxel (PTX)-induced cancer cell death in drug-resistance human ovarian cancer cells (SKOV3). Cytotoxicity testing showed that SKOV3 was more resistant to cisplatin and PTX compared to drug-sensitive human ovarian cancer cells (A2780). The cytotoxicity of PTX was significantly increased in SKOV3 cells when co-treated with KJ...
June 21, 2017: Journal of Natural Medicines
https://www.readbyqxmd.com/read/28637708/hypohydration-impairs-endurance-performance-a-blinded-study
#12
Lewis J James, Jodie Moss, Joshua Henry, Charikleia Papadopoulou, Stephen A Mears
The general scientific consensus is that starting exercise with hypohydration >2% body mass impairs endurance performance/capacity, but most previous studies might be confounded by a lack of subject blinding. This study examined the effect of hypohydration in a single blind manner using combined oral and intragastric rehydration to manipulate hydration status. After familiarization, seven active males (mean ± SD: age 25 ± 2 years, height 1.79 ± 0.07, body mass 78.6 ± 6.2, VO2peak 48 ± 7 mL·kg·min(-1)) completed two randomized trials at 34°C...
June 2017: Physiological Reports
https://www.readbyqxmd.com/read/28637166/comparison-of-the-anaerobic-digestion-at-the-mesophilic-and-thermophilic-temperature-regime-of-organic-wastes-from-the-agribusiness
#13
Daniela Almeida Streitwieser
An overall kinetic power law model has been successfully applied to study the anaerobic digestion of agricultural wastes. In this comparative kinetic study feed composition, organic load rate, residence time and process temperature have been systematically varied in an automated semi-continuous fermentation system to obtain the dependency of the rate of degradation as biogas production on the organic load rate and temperature. The results show that the overall reaction order depend only on the Chemical Oxygen Demand (COD) at values between 3...
June 17, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28636377/enthalpies-of-formation-of-hydrazine-and-its-derivatives
#14
Olga V Dorofeeva, Oxana N Ryzhova, Taisiya A Suchkova
Enthalpies of formation, ∆_f H_298^°, both in the gas and condensed phase, and enthalpies of sublimation or vaporization have been estimated for hydrazine, NH2NH2, and its 36 various derivatives using quantum chemical calculations. The composite G4 method has been used along with isodesmic reaction schemes to derive a set of self-consistent high accuracy gas-phase enthalpies of formation. To estimate the enthalpies of sublimation and vaporization with reasonable accuracy (5-20 kJ/mol), the method of molecular electrostatic potential (MEP) has been used...
June 21, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28636013/new-insights-into-the-solubility-of-graphene-oxide-in-water-and-alcohols
#15
Vadim V Neklyudov, Nail R Khafizov, Igor A Sedov, Ayrat M Dimiev
One of the main advantages of graphene oxide (GO) over its non-oxidized counterpart is its ability to form stable solutions in water and some organic solvents. At the same time, the nature of GO solutions is not completely understood; the existing data are scarce and controversial. Here, we demonstrate that the solubility of GO, and the stability of the as-formed solutions depend not just on the solute and solvent cohesion parameters, as commonly believed, but mostly on the chemical interactions at the GO/solvent interface...
June 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28634587/exercise-metabolism-in-nonobese-patients-with-type-2-diabetes-following-the-acute-restoration-of-normoglycaemia
#16
Christopher J Gaffney, Peter Mansell, Francis B Stephens, Ian A Macdonald, Kostas Tsintzas
This study investigated how acute restoration of normoglycaemia affected energy metabolism during exercise in nonobese patients with type 2 diabetes. Six subjects (mean ± SEM) aged 56.2 ± 2.7 years, with a BMI of 24.5 ± 1.5 kg/m(2) and a VO2 peak of 28.7 ml/kg/min, attended the lab on two randomised occasions for a four-hour resting infusion of insulin or saline, followed by 30 minutes cycling at 50% VO2 peak. During the 4 h resting infusion, there was a greater (P < 0.0001) reduction in blood glucose in insulin treatment (INS) (from 11...
2017: Journal of Diabetes Research
https://www.readbyqxmd.com/read/28633992/eating-out-in-four-nordic-countries-national-patterns-and-social-stratification
#17
T B Lund, U Kjærnes, L Holm
Using a survey conducted in four Nordic countries (Denmark, Finland, Norway and Sweden) in 2012, we investigated whether eating out in cafés and restaurants in these countries is best characterized as a workday pattern activity or a leisure activity; and, whether frequent eating at cafés and restaurants is related to socio-demographic factors and factors relevant to the organization of daily life. We found that eating out is not a fundamental part of everyday eating. It is something which takes place occasionally...
June 17, 2017: Appetite
https://www.readbyqxmd.com/read/28633691/dietary-gap-assessment-an-approach-for-evaluating-whether-a-country-s-food-supply-can-support-healthy-diets-at-the-population-level
#18
Edye M Kuyper, Reina Engle-Stone, Joanne E Arsenault, Mary Arimond, Katherine P Adams, Kathryn G Dewey
OBJECTIVE: Dietary diversity, and in particular consumption of nutrient-rich foods including fruits, vegetables, nuts, beans and animal-source foods, is linked to greater nutrient adequacy. We developed a 'dietary gap assessment' to evaluate the degree to which a nation's food supply could support healthy diets at the population level. Design/Setting In the absence of global food-based dietary guidelines, we selected the Dietary Approaches to Stop Hypertension (DASH) diet as an example because there is evidence it prevents diet-related chronic disease and supports adequate micronutrient intakes...
June 21, 2017: Public Health Nutrition
https://www.readbyqxmd.com/read/28631933/a-salt-reduction-smartphone-app-supports-lower-salt-food-purchases-for-people-with-cardiovascular-disease-findings-from-the-saltswitch-randomised-controlled-trial
#19
Helen Eyles, Rebecca McLean, Bruce Neal, Yannan Jiang, Robert N Doughty, Rachael McLean, Cliona Ni Mhurchu
Background SaltSwitch is an innovative smartphone application (app) that enables shoppers to scan the barcode of a packaged food and receive an immediate, interpretive, traffic light nutrition label on the screen, along with suggestions for lower salt alternatives. Our aim was to determine the effectiveness of SaltSwitch to support people with cardiovascular disease to make lower salt food choices. Design Six-week, two-arm, parallel, randomised controlled trial in Auckland, New Zealand (2 weeks baseline and 4 weeks intervention)...
January 1, 2017: European Journal of Preventive Cardiology
https://www.readbyqxmd.com/read/28630703/energy-requirements-for-growth-in-the-yorkshire-terrier
#20
Janet E Alexander, Alison Colyer, Penelope J Morris
The 2006 National Research Council (NRC) equation calculating puppy energy requirements does not account for reported breed differences in growth pattern. Energy requirements of toy breed puppies are unknown and it is unclear whether feeding guidelines should differ between breeds. Energy requirements of Yorkshire terrier (YT) puppies were observed over their first year of life and compared with those predicted by the NRC and those previously observed in large (Labrador retriever) and medium (miniature Schnauzer; MS) breed puppies...
2017: Journal of Nutritional Science
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