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https://www.readbyqxmd.com/read/28453915/documenting-and-harnessing-the-biological-potential-of-molecules-in-distributed-drug-discovery-d3-virtual-catalogs
#1
Milata M Abraham, Ryan E Denton, Richard W Harper, William L Scott, Martin J O'Donnell, Jacob D Durrant
Virtual molecular catalogs have limited utility if member compounds are (1) difficult to synthesize or (2) unlikely to have biological activity. The Distributed Drug Discovery (D3) program addresses the synthesis challenge by providing scientists with a free virtual D3 catalog of 73,024 easy-to-synthesize N-acyl unnatural α-amino acids, their methyl esters, and primary amides. The remaining challenge is to document and exploit the bioactivity potential of these compounds. In the current work, a search process is described that retrospectively identifies all virtual D3 compounds classified as bioactive hits in PubChem-cataloged experimental assays...
April 28, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28453563/reproductive-success-is-energetically-linked-to-foraging-efficiency-in-antarctic-fur-seals
#2
Tiphaine Jeanniard-du-Dot, Andrew W Trites, John P Y Arnould, Christophe Guinet
The efficiency with which individuals extract energy from their environment defines their survival and reproductive success, and thus their selective contribution to the population. Individuals that forage more efficiently (i.e., when energy gained exceeds energy expended) are likely to be more successful at raising viable offspring than individuals that forage less efficiently. Our goal was to test this prediction in large long-lived mammals under free-ranging conditions. To do so, we equipped 20 lactating Antarctic fur seals (Arctocephalus gazella) breeding on Kerguelen Island in the Southern Ocean with tags that recorded GPS locations, depth and tri-axial acceleration to determine at-sea behaviours and detailed time-activity budgets during their foraging trips...
2017: PloS One
https://www.readbyqxmd.com/read/28449470/impact-of-cyclooxygenase-2-and-prostaglandin-e2-expression-on-clinical-outcome-after-pulmonary-metastasectomy
#3
Christian Lang, Emilie Hrdliczka, Thomas Schweiger, Olaf Glueck, Gerrit Lewik, Stefan Schwarz, Alberto Benazzo, György Lang, Walter Klepetko, Konrad Hoetzenecker
BACKGROUND: Pulmonary metastasectomy (PM) is a standard procedure in the treatment of stage IV colorectal cancer (CRC). In most centers the indication for PM is solely based on clinical factors without taking the tumor biology into account. This results in diverse outcomes ranging from long-term remission to early recurrence. Inflammation is considered a hallmark of cancer development and progression. On the other hand the accessibility of CRC cells to the immune system reflects the grade of tumor aggressiveness...
March 2017: Journal of Thoracic Disease
https://www.readbyqxmd.com/read/28449305/c-reactive-protein-variability-is-associated-with-vascular-access-outcome-in-hemodialysis-patients
#4
Wei-Hung Kuo, Yueh-Ting Lee, Hwee-Yeong Ng, Chun-Yeh Wang, Chien-Hsing Wu, Chien-Te Lee
BACKGROUND: Hemodialysis (HD) vascular access failure is one of the most important causes of morbidity and contributes to the cost of dialysis care. There is paucity of data evaluating long-term monitoring of C-reactive protein (CRP) on outcome of HD vascular access. METHODS: We conducted a retrospective study to investigate whether variability of serum CRP level was associated with vascular access failure rate over a 7-year period. A total of 318 HD patients were included...
April 27, 2017: Journal of Clinical Laboratory Analysis
https://www.readbyqxmd.com/read/28449231/resource-partitioning-in-tolerant-and-intolerant-macaques
#5
Nancy Rebout, Christine Desportes, Bernard Thierry
The clumped distribution of food resources promotes food defensibility and can lead to the monopolizing of resources by high-ranking individuals. However, the balance of power is set at different levels according to societies, meaning that resource partitioning should vary between them. This study investigates whether dominance asymmetry and resource partitioning are related in non-human primates by comparing two species with contrasting social styles, namely rhesus macaques (Macaca mulatta) which display strong social intolerance and a steep gradient of dominance, and Tonkean macaques (Macaca tonkeana), which exhibit higher levels of tolerance and more balanced dominance relationships...
April 27, 2017: Aggressive Behavior
https://www.readbyqxmd.com/read/28448328/hospice-or-community-network-choices-in-end-of-life-care-in-jamaica
#6
Roger Lee Mendoza
AIM: National and international healthcare agencies and organizations typically attribute slow or haphazard growth in hospice and palliative care in developing countries to various resource constraints. This study provides evidence of the substantial and widening gap between policy advocacy and individual decision-making concerning end-of-life care. It does so by establishing the incentives and risks that underlie choices of patients and providers against the relative scarcity of hospices in these countries...
April 26, 2017: International Journal of Evidence-based Healthcare
https://www.readbyqxmd.com/read/28448140/essentially-trap-free-cspbbr3-colloidal-nanocrystals-by-post-synthetic-thiocyanate-surface-treatment
#7
Brent A Koscher, Joseph K Swabeck, Noah D Bronstein, A Paul Alivisatos
We demonstrate post-synthetic modification of CsPbBr3 nanocrystals by a thiocyanate salt treatment. This treatment improves the quantum yield of both freshly synthesized (PLQY~90%) and aged nanocrystals (PLQY~70%) to within measurement error (2-3%) of unity, while simultaneously maintaining the shape, size, and colloidal stability. Additionally, the luminescence decay kinetics transform from multi-exponential decays typical of nanocrystalline semiconductors with a distribution of trap sites, to a monoexponential decay, typical of single energy level emitters...
April 27, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28448119/sulfur-nano-dots-stitched-in-2d-bubble-like-interconnected-carbon-fabric-as-reversibility-enhanced-cathodes-for-lithium-sulfur-batteries
#8
Feng Wu, Yusheng Ye, Jia-Qi Huang, Teng Zhao, Ji Qian, Yuanyuan Zhao, Li Li, Lei Wei, Rui Luo, Yongxin Huang, Yi Xing, Renjie Chen
The behavior of two-dimensional (2D) materials for energy-storage systems relates to their morphology and physicochemical properties. Although various 2D materials can be found in different fields, the open access of these materials has greatly hampered their practical applications, such as in lithium sulfur batteries, where the soluble intermediates should be controlled. Here, we have developed a facile approach to prepare 2D ultra-thin interconnected carbon fabrics (ICFs) with "bubble-like" morphology and abundant mesopores using a "blowing bubble" method...
April 27, 2017: ACS Nano
https://www.readbyqxmd.com/read/28447376/reduced-fasting-periods-increase-intestinal-permeability-in-chickens
#9
S Gilani, G S Howarth, C D Tran, R Barekatain, S M Kitessa, R E A Forder, R J Hughes
Fasting of up to 24 hr has been shown to increase intestinal permeability (IP) in chickens. The aim of this study was to determine whether fasting duration of 4.5 and 9 hr increased IP and whether l-glutamine (a non-essential amino acid) supplementation before fasting provided some protection of barrier function as shown in other species. Ross 308 male broilers (n = 96) were fed either a control diet or the same diet supplemented with 1% glutamine from d0 to d38 post-hatch. On d37, the birds were assigned to single-bird metabolism cages and were fasted for either 0, 4...
April 26, 2017: Journal of Animal Physiology and Animal Nutrition
https://www.readbyqxmd.com/read/28446907/regulation-and-molecular-basis-of-environmental-muropeptide-uptake-and-utilization-in-fastidious-oral-anaerobe-tannerella-forsythia
#10
Angela Ruscitto, Kiyonobu Honma, Vamsee M Veeramachineni, Kiyoshi Nishikawa, Graham P Stafford, Ashu Sharma
Tannerella forsythia is a Gram-negative oral anaerobe associated with periodontitis. This bacterium is auxotrophic for the peptidoglycan amino sugar N-acetylmuramic (MurNAc) and likely relies on scavenging peptidoglycan fragments (muropeptides) released by cohabiting bacteria during their cell wall recycling. Many Gram-negative bacteria utilize an inner membrane permease, AmpG, to transport peptidoglycan fragments into their cytoplasm. In the T. forsythia genome, the Tanf_08365 ORF has been identified as a homolog of AmpG permease...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28446198/effect-of-anti-malarial-interventions-on-trends-of-malaria-cases-hospital-admissions-and-deaths-2005-2015-ghana
#11
Maru Aregawi, Keziah L Malm, Mohammed Wahjib, Osae Kofi, Naa-Korkor Allotey, Peprah Nana Yaw, Wilmot Abba-Baffoe, Sylvester Segbaya, Felicia Owusu-Antwi, Abderahmane T Kharchi, Ryan O Williams, Mark Saalfeld, Nibretie Workneh, Estifanos Biru Shargie, Abdisalan M Noor, Constance Bart-Plange
BACKGROUND: Since 2005, the Government of Ghana and its partners, in concerted efforts to control malaria, scaled up the use of artemisinin-based combination therapy (ACT) and insecticide-treated nets (ITNs). Beginning in 2011, a mass campaign of long-lasting insecticidal nets (LLINs) was implemented, targeting all the population. The impact of these interventions on malaria cases, admissions and deaths was assessed using data from district hospitals. METHODS: Records of malaria cases and deaths and availability of ACT in 88 hospitals, as well as at district level, ITN distribution, and indoor residual spraying were reviewed...
April 26, 2017: Malaria Journal
https://www.readbyqxmd.com/read/28445803/jetvalve-rapid-manufacturing-of-biohybrid-scaffolds-for-biomimetic-heart-valve-replacement
#12
Andrew K Capulli, Maximillian Y Emmert, Francesco S Pasqualini, Debora Kehl, Etem Caliskan, Johan U Lind, Sean P Sheehy, Sung Jin Park, Seungkuk Ahn, Benedikt Weber, Josue A Goss, Simon P Hoerstrup, Kevin Kit Parker
Tissue engineered scaffolds have emerged as a promising solution for heart valve replacement because of their potential for regeneration. However, traditional heart valve tissue engineering has relied on resource-intensive, cell-based manufacturing, which increases cost and hinders clinical translation. To overcome these limitations, in situ tissue engineering approaches aim to develop scaffold materials and manufacturing processes that elicit endogenous tissue remodeling and repair. Yet despite recent advances in synthetic materials manufacturing, there remains a lack of cell-free, automated approaches for rapidly producing biomimetic heart valve scaffolds...
April 18, 2017: Biomaterials
https://www.readbyqxmd.com/read/28445749/equilibrium-ensembles-for-insulin-folding-from-bias-exchange-metadynamics
#13
Richa Singh, Rohit Bansal, Anurag Singh Rathore, Gaurav Goel
Earliest events in the aggregation process, such as single molecule reconfiguration, are extremely important and the most difficult to characterize in experiments. To this end, we have used well-tempered bias exchange metadynamics simulations to determine the equilibrium ensembles of an insulin molecule under amyloidogenic conditions of low pH and high temperature. A bin-based clustering method that uses statistics accumulated in bias exchange metadynamics trajectories was employed to construct a detailed thermodynamic and kinetic model of insulin folding...
April 25, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28445287/prognostic-value-of-pretreatment-18f-fdg-pet-ct-for-nasopharyngeal-carcinoma-patients
#14
Yecai Huang, Mei Feng, Qiao He, Jun Yin, Peng Xu, Qinghua Jiang, Jinyi Lang
BACKGROUND: Nasopharyngeal carcinoma (NPC) is a special subtype of head and neck cancer (HNC). At present, there are no highly specific prognostic markers to aid in tumor grading and guide patient treatment modalities for NPC. The prognostic value of pretreatment F-fluorodeoxyglucose positron emission tomography-computed tomography (F-PET-CT) in NPC patients is controversial and no consensus exists as to its predictive capability. METHODS: To analyze the predictive efficacy of F-PET-CT imaging in NPC patients, data from MEDLINE, EMBASE, the Cochrane library, CBM, CNKI, and VIP (inception to July 2016) were accessed...
April 2017: Medicine (Baltimore)
https://www.readbyqxmd.com/read/28444893/catalytic-reductive-synthesis-and-direct-derivatization-of-unprotected-aminoindoles-aminopyrroles-and-iminoindolines
#15
Leonardus H Leijendekker, Jens Weweler, Tobias M Leuther, Jan Streuff
A titanium(III)-catalyzed radical cyclization to unprotected 3-aminoindoles, 3-aminopyrroles, or 3-iminoindolines is reported. The reaction is non-hazardous, scalable, and allows facile isolation of the free products by extraction. The method is demonstrated on a large substrate scope and it further allows the direct installation of various nitrogen protecting groups or the synthesis of building blocks for peptide chemistry in a single sequence. Fused bisindoles can be directly accessed from the cyclization products...
April 26, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28443923/use-of-alcl3-in-friedel-crafts-arylation-type-reactions-and-beyond-an-overview-on-the-development-of-unique-methodologies-leading-to-n-heteroarenes
#16
REVIEW
Rajnikanth Sunke, Suresh Babu Nallapati, Jetta Sandeep Kumar, K Shiva Kumar, Manojit Pal
As a privileged class of heterocyclic compounds N-heteroarenes have found enormous applications in many areas including medicinal/pharmaceutical chemistry and drug discovery. Consequently, a wide variety of methods have been reported for their synthesis. While not free from their own limitations the AlCl3 mediated methods appeared to have some particular advantages in preparing a number of useful N-heteroarenes. Besides the famous Friedel-Crafts (FC) alkylation/acylation reactions one such example is AlCl3-induced heteroarylation of arenes and heteroarenes (FC arylation type reactions) that can be used to prepare a certain class of N-heteroarenes in an operationally simple, efficient and cost effective manner...
April 26, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28443330/mechanisms-by-which-salt-concentration-moderates-the-dynamics-of-human-serum-transferrin
#17
Haleh Abdizadeh, Ali Rana Atilgan, Canan Atilgan
The dynamical and thermodynamic behavior of human transferrin (hTf) protein in saline aqueous solution of various concentrations is studied. hTf is an essential transport protein circulating iron in the blood and delivering it to tissues. It displays highly pH dependent cooperativity between the two lobes each carrying an iron, and forms a tight complex with the receptor during endocytosis, eventually recycled to the serum after iron release. Molecular dynamics simulations are used to investigate the effects of the amount of salt on protein conformation and dynamics to analyze the structure-function relationship in free hTf at serum pH...
April 26, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28442227/laparoscopic-versus-percutaneous-cryoablation-of-small-renal-mass-systematic-review-and-cumulative-analysis-of-comparative-studies
#18
REVIEW
Rodrigo R Pessoa, Riccardo Autorino, M Pilar Laguna, Wilson R Molina, Diedra Gustafson, Leticia Nogueira, Rodrigo Donalisio da Silva, Priya N Werahera, Fernando J Kim
The objective of this study was to compare the surgical, oncological, and functional outcomes of laparoscopic and percutaneous cryoablation for the treatment of small renal masses. A systematic review of the literature was performed through March 2016 using PubMed, Scopus, and Ovid databases. Article selection proceeded according to the search strategy on the basis of the Preferred Reporting Items for Systematic Reviews and Meta-Analyses criteria. Only studies that compared laparoscopic and percutaneous kidney cryoablation were included in the meta-analysis...
March 30, 2017: Clinical Genitourinary Cancer
https://www.readbyqxmd.com/read/28439760/prognostic-study-of-cardiac-events-in-japanese-patients-with-chronic-kidney-disease-using-ecg-gated-myocardial-perfusion-imaging-final-3-year-report-of-the-j-access-3-study
#19
Satoko Nakamura, Yuhei Kawano, Kenichi Nakajima, Hiroki Hase, Nobuhiko Joki, Tsuguru Hatta, Shigeyuki Nishimura, Masao Moroi, Susumu Nakagawa, Tokuo Kasai, Hideo Kusuoka, Yasuchika Takeishi, Mitsuru Momose, Kazuya Takehana, Mamoru Nanasato, Syunichi Yoda, Hidetaka Nishina, Naoya Matsumoto, Tsunehiko Nishimura
BACKGROUND: Myocardial perfusion imaging (MPI) is considered useful for risk stratification among patients with chronic kidney disease (CKD), without renal deterioration by contrast media. METHODS AND RESULTS: The Japanese Assessment of Cardiac Events and Survival Study by Quantitative Gated SPECT (J-ACCESS 3) is a multicenter, prospective cohort study investigating the ability of MPI to predict cardiac events in 529 CKD patients without a definitive coronary artery disease...
April 24, 2017: Journal of Nuclear Cardiology: Official Publication of the American Society of Nuclear Cardiology
https://www.readbyqxmd.com/read/28439182/perspective-potus-trump-s-executive-orders-implications-for-immigrants-and-health-care
#20
EDITORIAL
Efrain Talamantes, Sergio Aguilar-Gaxiola
The United States, under new executive orders proposed by its 45th president, may quickly lose its greatness in serving Emma Lazarus' untimely portrait of immigrants and refugees as "the tired, poor and huddled masses yearning to breathe free." After years of progress in improving health care access to underserved populations, new executive orders threaten our nation's advancements in health equity. Within this perspective, we offer examples on how these actions may result in damaging impacts on patients, families, communities and the health care workforce...
2017: Ethnicity & Disease
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