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https://www.readbyqxmd.com/read/28644502/au3-%C3%AE-3-s-0e-elementary-block-new-insights-into-ligated-gold-clusters-with-%C3%AE-3-sulfido-motifs
#1
Wen Wu Xu, Xiao Cheng Zeng, Yi Gao
An understanding of the structural stability and formation mechanism of ligated gold nanoclusters with triply coordinated μ3-sulfido (μ3-S) motifs is important not only for gold chemistry but also for the design of more effective catalysts or drug carriers for various applications. In this article, a new elementary block Au3(μ3-S) with zero valence electrons [referred to as Au3(μ3-S)(0e)] has been identified, which describes all crystallized ligated gold clusters with μ3-S motifs, in conjunction with the previously reported Au3(2e) and Au4(2e) elementary blocks, in a grand unified model (GUM)...
June 23, 2017: Nanoscale
https://www.readbyqxmd.com/read/28634907/incidence-and-predictors-of-repeat-bone-mineral-densitometry-a-longitudinal-cohort-study
#2
Emily C White VanGompel, Peter Franks, John A Robbins, Joshua J Fenton
BACKGROUND: Existing guidelines for repeat screening and treatment monitoring intervals regarding the use of dual-energy x-ray absorptiometry (DXA) scans are conflicting or lacking. The Choosing Wisely campaign recommends against repeating DXA scans within 2 years of initial screening. It is unclear how frequently physicians order repeat scans and what clinical factors contribute to their use. OBJECTIVE: To estimate cumulative incidence and predictors of repeat DXA for screening or treatment monitoring in a regional health system...
June 20, 2017: Journal of General Internal Medicine
https://www.readbyqxmd.com/read/28632788/high-throughput-identification-and-rational-design-of-synergistic-small-molecule-pairs-for-combating-and-bypassing-antibiotic-resistance
#3
Morgan A Wambaugh, Viplendra P S Shakya, Adam J Lewis, Matthew A Mulvey, Jessica C S Brown
Antibiotic-resistant infections kill approximately 23,000 people and cost $20,000,000,000 each year in the United States alone despite the widespread use of small-molecule antimicrobial combination therapy. Antibiotic combinations typically have an additive effect: the efficacy of the combination matches the sum of the efficacies of each antibiotic when used alone. Small molecules can also act synergistically when the efficacy of the combination is greater than the additive efficacy. However, synergistic combinations are rare and have been historically difficult to identify...
June 2017: PLoS Biology
https://www.readbyqxmd.com/read/28628309/dissecting-orthosteric-contacts-for-a-reverse-fragment-based-ligand-design
#4
Arun Chandramohan, Nikhil Kumar Tulsian, Ganesh Srinivasan Anand
Orthosteric sites on proteins are formed typically from non-contiguous interacting sites in three dimensional space where the composite binding interaction of a biological ligand is mediated by multiple synergistic interactions of its constituent functional groups. Through these multiple interactions, ligands stabilize both the ligand binding site and the protein fold. However, relative energetic contributions of the individual contacts in these protein-ligand interactions are difficult to resolve. Deconvolution of the contributions of these various functional groups in natural inhibitors/ligand would greatly aid in iterative fragment-based drug discovery (FBDD)...
June 19, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28628167/a-theoretical-study-on-the-morphological-phase-diagram-of-supported-lipid-bilayers
#5
Xian Kong, Diannan Lu, Jianzhong Wu, Zheng Liu
Supported lipid bilayers (SLBs) have been widely used in drug delivery, biosensors and biomimetic membranes. The microscopic mechanism of SLB formation and stability depends on a number of factors underlying solvent-mediated lipid-lipid and lipid-substrate interactions. Whereas recent years have witnessed remarkable progress in understanding the kinetics of SLB formation, relatively little is known about the lipid phase behavior controlling the SLB stability under diverse solution conditions. In this work, we examine the structure of SLBs using classical density functional theory (CDFT) in the context of a coarse-grained model that accounts for ion-explicit electrostatic interactions, surface hydrophobicity, as well as the molecular characteristics of the lipid tails...
June 19, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28624613/nitroimidazole-refractory-giardiasis-a-growing-problem-requiring-rational-solutions
#6
REVIEW
E R Carter, L E Nabarro, L Hedley, P L Chiodini
BACKGROUND: Giardia intestinalis is microaerophillic diarrhoea-causing protozoan common in countries with suboptimal sanitation. Standard treatment is with nitroimidazoles but a growing number of refractory cases are being reported. Treatment failure has become increasingly prevalent in travellers who contract giardiasis in Asia. Clinicians are increasingly falling back on second line and less well known drugs to treat giardiasis. AIMS: To review nitroimidazole-refractory G...
June 14, 2017: Clinical Microbiology and Infection
https://www.readbyqxmd.com/read/28624475/oxidoreductases-on-their-way-to-industrial-biotransformations
#7
REVIEW
Angel T Martínez, Francisco J Ruiz-Dueñas, Susana Camarero, Ana Serrano, Dolores Linde, Henrik Lund, Jesper Vind, Morten Tovborg, Owik M Herold-Majumdar, Martin Hofrichter, Christiane Liers, René Ullrich, Katrin Scheibner, Giovanni Sannia, Alessandra Piscitelli, Cinzia Pezzella, Mehmet E Sener, Sibel Kılıç, Willem J H van Berkel, Victor Guallar, Maria Fátima Lucas, Ralf Zuhse, Roland Ludwig, Frank Hollmann, Elena Fernández-Fueyo, Eric Record, Craig B Faulds, Marta Tortajada, Ib Winckelmann, Jo-Anne Rasmussen, Mirjana Gelo-Pujic, Ana Gutiérrez, José C Del Río, Jorge Rencoret, Miguel Alcalde
Fungi produce heme-containing peroxidases and peroxygenases, flavin-containing oxidases and dehydrogenases, and different copper-containing oxidoreductases involved in the biodegradation of lignin and other recalcitrant compounds. Heme peroxidases comprise the classical ligninolytic peroxidases and the new dye-decolorizing peroxidases, while heme peroxygenases belong to a still largely unexplored superfamily of heme-thiolate proteins. Nevertheless, basidiomycete unspecific peroxygenases have the highest biotechnological interest due to their ability to catalyze a variety of regio- and stereo-selective monooxygenation reactions with H2O2 as the source of oxygen and final electron acceptor...
June 14, 2017: Biotechnology Advances
https://www.readbyqxmd.com/read/28622708/pharmacokinetic-comparison-of-two-phenolic-acids-after-oral-administration-of-typhae-pollen-to-normal-rats-and-rats-with-acute-cold-blood-stasis
#8
Yingni Pan, Wenjie Zhang, Wei Zhang, Xuewei Bai, Shumeng Ren, Jiang Zheng, Dongmei Wang, Xiaoqiu Liu
Typhae Pollen (TP), dried pollen of Typha angustifolia L., Typha orientalis Presl or other plants of the same genus (Typhaeceae), has effect of activating the circulation to cure blood stasis in traditional Chinese Medicine (TCM). The purpose of this study was to set up an ultra-high performance liquid chromatography method that could determine p-hydroxybenzoic acid and vanillic acid simultaneously in rat plasma, and to compare their pharmacokinetics in normal rats and rats with acute cold blood stasis, and further to investigate the influence of different dosages of oral administration...
June 16, 2017: Biomedical Chromatography: BMC
https://www.readbyqxmd.com/read/28622547/co-morbidity-and-clinically-significant-interactions-between-antiepileptic-drugs-and-other-drugs-in-elderly-patients-with-newly-diagnosed-epilepsy
#9
Emmi Bruun, Lauri J Virta, Reetta Kälviäinen, Tapani Keränen
PURPOSE: A study was conducted to investigate the frequency of potential pharmacokinetic drug-to-drug interactions in elderly patients with newly diagnosed epilepsy. We also investigated co-morbid conditions associated with epilepsy. METHOD: From the register of Kuopio University Hospital (KUH) we identified community-dwelling patients aged 65 or above with newly diagnosed epilepsy and in whom use of the first individual antiepileptic drug (AED) began in 2000-2013 (n=529)...
June 13, 2017: Epilepsy & Behavior: E&B
https://www.readbyqxmd.com/read/28620142/magnetic-resonance-imaging-of-rrx-001-pharmacodynamics-in-preclinical-tumors
#10
Natarajan Raghunand, Jan Scicinski, Gerald P Guntle, Bhumasamudram Jagadish, Eugene A Mash, Elizabeth Bruckheimer, Bryan Oronsky, Ronald L Korn
RRx-001 is an anticancer agent that subjects cancer cells to reactive oxygen/nitrogen species (ROS/RNS) and acts as an epigenetic modifier. We have used a thiol-bearing MRI contrast agent, Gd-LC7-SH, to investigate the pharmacodynamics of RRx-001 in CHP-100 Ewing's Sarcoma, HT-29 colorectal carcinoma, and PANC-1 pancreatic carcinoma xenografts in SCID mice. Binding of Gd-LC7-SH to the Cys34 residue on plasma albumin prolongs retention in the tumor microenvironment and increases tumor enhancement on MRI. Mice were imaged by MRI and in vivo T1 maps acquired 50 min (T150 min) after injection of 0...
June 12, 2017: Oncotarget
https://www.readbyqxmd.com/read/28620044/let-there-be-light-how-to-use-photoswitchable-cross-linker-to-reprogram-proteins
#11
REVIEW
Daniel Hoersch
Azobenzene is a photo-isomerizing molecule whose end-to-end distance changes upon external illumination. When combined with site-specific reactive groups, it can be used as molecular tweezers to remote-control the structure and function of protein targets. The present study gives a brief overview over the rational design strategies that use an azobenzene-based photoswitchable cross-linker to engineer ON/OFF switches into functional proteins or to reprogram proteins for novel functions. The re-engineered proteins may be used as remote controls for cellular pathways, as light-gated drug delivery platforms or as light-powered machinery of synthetic cells and micro-scaled factories...
June 15, 2017: Biochemical Society Transactions
https://www.readbyqxmd.com/read/28618993/new-perspectives-on-biomedical-applications-of-iron-oxide-nanoparticles
#12
Massimiliano Magro, Davide Baratella, Emanuela Bonaiuto, Jessica de Almeida Roger, Fabio Vianello
Iron oxide nanomaterials are considered promising tools for improved therapeutic efficacy and diagnostic applications in biomedicine. Accordingly, engineered iron oxide nanomaterials are increasingly proposed in biomedicine, and the interdisciplinary researches involving physics, chemistry, biology (nanotechnology) and medicine have led to exciting developments in the last decades. The progresses of the development of magnetic nanoparticles with tailored physico-chemical and surface properties produced a variety of clinically relevant applications, spanning from magnetic resonance imaging (MRI), drug delivery, magnetic hyperthermia, to in vitro diagnostics...
June 16, 2017: Current Medicinal Chemistry
https://www.readbyqxmd.com/read/28616960/functional-build-in-template-directed-siliceous-fluorescent-supramolecular-vesicles-as-diagnostics
#13
Jie Li, Kaerdun Liu, Hengyu Chen, Ruoyan Li, Markus Drechsler, Fan Bai, Jianbin Huang, Ben Zhong Tang, Yun Yan
Functional template directed synthesis of hybrid siliceous fluorescent vesicle (HSFV) is fabricated by using fluorescent vesicle as a build-in template. The template vesicle is the ionic self-assembly of an aggregation-induced emission (AIE) fluorogen. Upon depositing folic acid modified silica shell on its surface, the obtained HSFVs display low cytotoxicity, significant fluorescence and targeted drug delivery toward cancer cells. Furthermore, the wall-thickness of the HSFVs can be controlled via altered concentration of silica source...
June 15, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28614751/molecular-spectroscopic-and-thermodynamic-studies-on-the-interaction-of-anti-platelet-drug-ticlopidine-with-calf-thymus-dna
#14
Shumaila Afrin, Yusra Rahman, Tarique Sarwar, Mohammed Amir Husain, Abad Ali, Shamsuzzaman, Mohammad Tabish
Ticlopidine is an anti-platelet drug which belongs to the thienopyridine structural family and exerts its effect by functioning as an ADP receptor inhibitor. Ticlopidine inhibits the expression of TarO gene in S. aureus and may provide protection against MRSA. Groove binding agents are known to disrupt the transcription factor DNA complex and consequently inhibit gene expression. Understanding the mechanism of interaction of ticlopidine with DNA can prove useful in the development of a rational drug designing system...
June 11, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28614427/a-new-era-of-thromboelastometry
#15
Tomaz Crochemore, Felipe Maia de Toledo Piza, Roseny Dos Reis Rodrigues, João Carlos de Campos Guerra, Leonardo José Rolim Ferraz, Thiago Domingos Corrêa
Severe hemorrhage with necessity of allogeneic blood transfusion is common complication in intensive care unit and is associated with increased morbidity and mortality. Prompt recognition and treatment of bleeding causes becomes essential for the effective control of hemorrhage, rationalizing the use of allogeneic blood components, and in this way, preventing an occurrence of their potential adverse effects. Conventional coagulation tests such as prothrombin time and activated partial thromboplastin time present limitations in predicting bleeding and guiding transfusion therapy in critically ill patients...
June 12, 2017: Einstein
https://www.readbyqxmd.com/read/28610878/electrospraying-of-polymer-solutions-study-of-formulation-and-process-parameters
#16
Annelies Smeets, Christian Clasen, Guy Van den Mooter
Over the past decade, electrospraying has proven to be a promising method for the preparation of amorphous solid dispersions, an established formulation strategy to improve the oral bioavailability of poorly soluble drug compounds. Due to the lack of fundamental knowledge concerning adequate single nozzle electrospraying conditions, a trial-and-error approach is currently the only option. The objective of this paper is to study/investigate the influence of the different formulation and process parameters, as well as their interplay, on the formation of a stable cone-jet mode as a prerequisite for a reproducible production of monodisperse micro- and nanoparticles...
June 10, 2017: European Journal of Pharmaceutics and Biopharmaceutics
https://www.readbyqxmd.com/read/28610537/overcoming-multiple-myeloma-drug-resistance-in-the-era-of-cancer-omics
#17
Matthew Ho Zhi Guang, Amanda McCann, Giada Bianchi, Li Zhang, Paul Dowling, Despina Bazou, Peter O'Gorman, Kenneth C Anderson
Multiple myeloma (MM) is among the most compelling examples of cancer in which research has markedly improved the length and quality of lives of those afflicted. Research efforts have led to 18 newly approved treatments over the last 12 years, including seven in 2015. However, despite significant improvement in overall survival, MM remains incurable as most patients inevitably, yet unpredictably, develop refractory disease. Recent advances in high-throughput 'omics' techniques afford us an unprecedented opportunity to (1) understand drug resistance at the genomic, transcriptomic, and proteomic level; (2) discover novel diagnostic, prognostic, and therapeutic biomarkers; (3) develop novel therapeutic targets and rational drug combinations; and (4) optimize risk-adapted strategies to circumvent drug resistance, thus bringing us closer to a cure for MM...
June 13, 2017: Leukemia & Lymphoma
https://www.readbyqxmd.com/read/28608695/molecular-elucidation-of-biological-response-to-mesoporous-silica-nanoparticles-in-vitro-and-in-vivo
#18
Cheng-Chung Chou, Wei Chen, Yann Hung, Chung-Yuan Mou
Biomedical applications of mesoporous silica nanoparticles (MSNs) require efficient cellular uptake and low toxicity. The purpose of this study is to investigate the cellular uptake and toxicity of MSNs with different sizes and charges (50, 100 and 250 nm with a positive surface charge and 100 nm with a negative surface charge) exposed to human monocyte-derived macrophages, lung epithelium BEAS-2B cells and mice using genome-wide gene expression analysis and cellular/animal-level end point tests. We found that MSNs can be taken up into cells through endocytosis in a charge- and size-dependent manner, with positively charged and larger MSNs being more easily taken up into the cells by recruiting more types of endocytotic pathways for more cellular uptake...
June 13, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28608289/-antibiotic-stewardship-a%C3%A2-programmatic-approach-to-improved-antimicrobial-management
#19
REVIEW
Martin Müller, Patrick Lehmann, Christian Willy
Due to the increasing selection and prevalence of multidrug-resistant gram-negative bacteria and the insufficient development of novel antibiotics, the responsible and prudent use of the available antimicrobial drugs is of major importance. In Germany the rational use of anti-infectives considering the local antimicrobial resistance situation is defined in the infection protection act of 2011. An important tool to follow legal regulations and to improve the treatment of bacterial infections is the antimicrobial stewardship (AMS) concept...
June 12, 2017: Der Unfallchirurg
https://www.readbyqxmd.com/read/28608171/genetic-approaches-to-understanding-psychiatric-disease
#20
REVIEW
Jacob J Michaelson
Human genetic studies have been the driving force in bringing to light the underlying biology of psychiatric conditions. As these studies fill in the gaps in our knowledge of the mechanisms at play, we will be better equipped to design therapies in rational and targeted ways, or repurpose existing therapies in previously unanticipated ways. This review is intended for those unfamiliar with psychiatric genetics as a field and provides a primer on different modes of genetic variation, the technologies currently used to probe them, and concepts that provide context for interpreting the gene-phenotype relationship...
June 12, 2017: Neurotherapeutics: the Journal of the American Society for Experimental NeuroTherapeutics
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