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Donglin Diao, Na Qiao, Xiao Wu, Jiyuan Li, Xinhui Lou
Nucleic acid-based aptamers are promising alternative to antibodies, however, their selection process (SELEX) is challenging. A number of simulations and few experiments have been reported offering insights into experimental factors (EFs) that govern the effectiveness of the selection process. Though useful, these previous studied were either lack of experimental confirmation, or considered limited EFs. A more efficient experimental method is highly desired. In this study, we developed a fast method that is capable to quantitatively probe the influence of multiple EFs...
June 15, 2018: Analytical Biochemistry
Liqiang Lu, Paul Andela, Jeff Th M De Hosson, Yutao Pei
This paper reports a versatile template-free method based on the hydrogen reduction of metallic salts for the synthesis of nanoporous Ni and alloys. The approach involves thermal decomposition and reduction of metallic precursors followed with metal cluster nucleation and ligament growth. Topological disordered porous architectures of metals with a controllable distribution of pore size and ligament size ranging from tens of nanometers to micrometers are synthesized. The reduction processes are scrutinized through X-ray diffraction, scanning electron microscopy, and transmission electron microscopy...
May 25, 2018: ACS Appl Nano Mater
Robert Binder, David Lauvergnat, Irene Burghardt
We report on high-dimensional quantum dynamical simulations of photoinduced exciton migration in a single-chain oligothiophene segment, in view of elucidating the controversial nature of the elementary exciton transport steps in semiconducting polymers. A novel first-principles parametrized Frenkel J aggregate Hamiltonian is employed that goes significantly beyond the standard Frenkel-Holstein Hamiltonian. Departing from a nonequilibrium state created by photoexcitation, these simulations provide evidence of an ultrafast two-timescale process at low temperatures, involving exciton-polaron formation within tens of femtoseconds (fs), followed by torsional relaxation on an ∼400  fs timescale...
June 1, 2018: Physical Review Letters
Farzad Liravi, Mihaela Vlasea
The data included in this article provides additional supporting information on our recent publication (Liravi et al., 2018 [1]) on a novel hybrid additive manufacturing (AM) method for fabrication of three-dimensional (3D) structures from silicone powder. A design of experiments (DoE) study has been carried out to optimize the geometrical fidelity of AM-made parts. This manuscript includes the details of a multi-level factorial DOE and the response optimization results. The variation in the temperature of powder-bed when exposed to heat is plotted as well...
June 2018: Data in Brief
Simon Müller, Patrick Pietsch, Ben-Elias Brandt, Paul Baade, Vincent De Andrade, Francesco De Carlo, Vanessa Wood
Capacity fade in lithium-ion battery electrodes can result from a degradation mechanism in which the carbon black-binder network detaches from the active material. Here we present two approaches to visualize and quantify this detachment and use the experimental results to develop and validate a model that considers how the active particle size, the viscoelastic parameters of the composite electrode, the adhesion between the active particle and the carbon black-binder domain, and the solid electrolyte interphase growth rate impact detachment and capacity fade...
June 14, 2018: Nature Communications
Grzegorz Ludwik Golewski
Interfacial Transition Zone (ITZ) of coarse aggregate cement matrix is commonly regarded as the weakest element of concrete. In this phase - the first cracks in the material are initiated, and the process of destruction of the composite begins. An improvement of the ITZ properties are positively influenced by the mineral additives used for the composite. One of such a substitute for a binder is, potentially hazardous industrial waste, siliceous fly ash (FA). In this paper the ITZ between aggregate and cement paste in concretes containing FA is considered...
June 7, 2018: Journal of Hazardous Materials
Sandra N Milik, Amal Kamal Abdel-Aziz, Deena S Lasheen, Rabah A T Serya, Saverio Minucci, Khaled A M Abouzid
In light of the emergence of resistance against the currently available EGFR inhibitors, our study focuses on tackling this problem through the development of dual EGFR/HER2 inhibitors with improved enzymatic affinities. Guided by the binding mode of the marketed dual EGFR/HER2 inhibitor, Lapatinib, we proposed the design of dual EGFR/HER2 inhibitors based on the 6-phenylthieno[2,3-d]pyrimidine as a core scaffold and hinge binder. After two cycles of screening aiming to identify the optimum aniline headgroup and solubilizing group, we eventually identified 27b as a dual EGFR/HER2 inhibitor with IC50 values of 91...
June 6, 2018: European Journal of Medicinal Chemistry
Svetlana V Glinianaia, Judith Rankin, Asma Khalil, Julia Binder, Gareth Waring, Stephen N Sturgiss, Basky Thilaganathan, Therese Hannon
OBJECTIVES: To determine the prevalence of monochorionic monoamniotic (MCMA) twin pregnancies and to describe perinatal outcomes and clinical management of these pregnancies. METHODS: This multicentre cohort study used population-based data on MCMA twin pregnancies from 11 Northern Survey of Twin and Multiple Pregnancy (NorSTAMP) maternity units for the prevalence estimation of MCMA twinning. Pregnancy outcomes at <24 weeks' gestation, antenatal parameters and perinatal outcomes (from ≥24 weeks to the first 28 days of life) were analysed using combined data on pregnancies with confirmed MCMA chorionicity from the NorSTAMP and the Southwest Thames Region of London Obstetric Research Collaborative (STORK) multiple pregnancy cohort for 2000-2013...
June 13, 2018: Ultrasound in Obstetrics & Gynecology
Takayuki Hamano
Despite the advent of cinacalcet and noncalcium-containing phosphate binders, controlling the progression of vascular calcification (VC) is still challenging. Recent reports demonstrate that carbamylation driven by high urea concentration aggravates VC, suggesting the importance of adequate dialysis in retarding its progression. Theoretically, other promising measures include the use of iron-based phosphate binders, vitamin K, and magnesium supplements, which should be investigated in future randomized controlled trials (RCTs), ideally with hard outcomes...
June 13, 2018: Seminars in Dialysis
P Vijayakrishnan, S Arul Antony, D Velmurugan
A series of some novel copper complexes derived from Biginelli condensation of DHPHS. The ligand and its transition metal complexes show more antimicrobial activities which was substantiated by molecular docking studies. Transition metal complexes four possess antioxidant properties supported by the DNA-binding, cleavage, and viscosity measurement (Prasad et al., 2011) [1]. The in Silicon DNA binding reveals copper complex is bound to be Minor groove and other manganese, cobalt, nickel complexes are bound to the Major groove portion of DNA through hydrogen bonds and hence copper (II), manganese (II), cobalt (II), nickel (II) complexes are called Minor groove and Major groove binder respectively...
August 2018: Data in Brief
Opeyemi Joshua, Kolapo O Olusola, Ayobami A Busari, Ignatius O Omuh, Ayodeji O Ogunde, Lekan M Amusan, Chidiogo J Ezenduka
The data presented herein are results of the research summary of the investigation for pozzolanic activity in coconut shell ash (CSA) towards a sustainable construction. The data article provides information on the properties of Coconut Shell Ash that are indicative of pozzolanic activity as stated in ASTM C618-15 (2015) [1], BS EN 197-1 (2011) [2] and Joshua et al. (2018) [3]. The data are the physical property of the sand used in determining the binder strengths and the chemical and physical properties (oxide composition and Strength Activity Indices respectively) of the pulverized, calcined and sieved Coconut Shell Ash...
June 2018: Data in Brief
T E McAllister, T-L Yeh, M I Abboud, I K H Leung, E S Hookway, O N F King, B Bhushan, S T Williams, R J Hopkinson, M Münzel, N D Loik, R Chowdhury, U Oppermann, T D W Claridge, Y Goto, H Suga, C J Schofield, A Kawamura
Affinity reagents are of central importance for selectively identifying proteins and investigating their interactions. We report on the development and use of cyclic peptides, identified by mRNA display-based RaPID methodology, that are selective for, and tight binders of, the human hypoxia inducible factor prolyl hydroxylases (PHDs) - enzymes crucial in hypoxia sensing. Biophysical analyses reveal the cyclic peptides to bind in a distinct site, away from the enzyme active site pocket, enabling conservation of substrate binding and catalysis...
May 28, 2018: Chemical Science
Jelle Reinen, Pieter van Sas, Ton van Huygevoort, Leticia Rubio, Kevin Scase, Mira Wenker
Drug-induced phototoxicity occurs when drugs absorb natural sunlight, leading to chemical reactions causing cellular damage. Distribution to light-exposed tissues is critical and is enhanced by binding to melanin. The International Council on Harmonization S10 guidance document on photosafety evaluation of pharmaceuticals states that although nonpigmented skin tends to be more sensitive than pigmented skin, pigmented skin models should be considered for drugs that bind significantly to melanin. In this study, an in vitro melanin-binding assay was evaluated as prescreening tool for animal model selection...
January 1, 2018: International Journal of Toxicology
Huei-Chen Liang, Yi-Chen Liu, Hsin Chen, Ming Chun Ku, Quynh-Trang Do, Chih-Yen Wang, Shun-Fen Tzeng, Shu-Hui Chen
Catechol estrogens (CEs) are metabolic electrophiles that actively undergo covalent interaction with cellular proteins, influencing molecular function. There is no feasible method to identify their binders in a living system. Herein, we developed a click chemistry-based approach using ethinylestradiol (EE2) as the precursor probe coupled with quantitative proteomics to identify protein targets of CEs and classify their binding strengths. Using in-situ metabolic conversion and click reaction in liver microsomes, CEs-protein complex was captured by the probe, digested by trypsin, stable isotope labeled via reductive amination, and analyzed by liquid chromatography-mass spectrometry (LC-MS)...
June 13, 2018: Journal of Proteome Research
Subhadeep Palit, Sanghamitra Mukherjee, Sougata Niyogi, Anindyajit Banerjee, Dipendu Patra, Amit Chakraborty, Saikat Chakrabarti, Partha Chakrabarti, Sanjay Dutta
Non-alcoholic fatty liver disease (NAFLD) characterized by excess accumulation of triglyceride in hepatocyte is the major cause of chronic liver disease worldwide and no approved drug is available. The mechanistic target of rapamycin complexes (mTORC) have been implicated to promote lipogenesis and fat accumulation in liver and thus serve as attractive drug targets. Generation of no or low cytotoxic mTOR inhibitors are required as the existing cytotoxic mTOR inhibitors are not useful for NAFLD therapy. We have synthesized novel compounds based on the privileged ATP site binder quinoline scaffold conjugated to glucose and galactosamine derivatives that have significantly low cytotoxicity yet having strong mTORC1 inhibitory activity at low micromolar concentrations...
June 13, 2018: Chembiochem: a European Journal of Chemical Biology
Camilla Adler Sørensen, Anne Rosbjerg, Betina Hebbelstrup Jensen, Karen Angeliki Krogfelt, Peter Garred
Enteroaggregative Escherichia coli (EAEC) causes acute and persistent diarrhea worldwide. Still, the involvement of host factors in EAEC infections is unresolved. Binding of recognition molecules from the lectin pathway of complement to EAEC strains have been observed, but the importance is not known. Our aim was to uncover the involvement of these molecules in innate complement dependent immune protection toward EAEC. Binding of mannose-binding lectin, ficolin-1, -2, and -3 to four prototypic EAEC strains, and ficolin-2 binding to 56 clinical EAEC isolates were screened by a consumption-based ELISA method...
2018: Frontiers in Immunology
Arjun Lakshman, S Vincent Rajkumar, Francis K Buadi, Moritz Binder, Morie A Gertz, Martha Q Lacy, Angela Dispenzieri, David Dingli, Amie L Fonder, Suzanne R Hayman, Miriam A Hobbs, Wilson I Gonsalves, Yi Lisa Hwa, Prashant Kapoor, Nelson Leung, Ronald S Go, Yi Lin, Taxiarchis V Kourelis, Rahma Warsame, John A Lust, Stephen J Russell, Steven R Zeldenrust, Robert A Kyle, Shaji K Kumar
In 2014, the International Myeloma Working Group reclassified patients with smoldering multiple myeloma (SMM) and bone marrow-plasma cell percentage (BMPC%) ≥ 60%, or serum free light chain ratio (FLCr) ≥ 100 or >1 focal lesion on magnetic resonance imaging as multiple myeloma (MM). Predictors of progression in patients currently classified as SMM are not known. We identified 421 patients with SMM, diagnosed between 2003 and 2015. The median time to progression (TTP) was 57 months (CI, 45-72)...
June 12, 2018: Blood Cancer Journal
Jacopo Fostinelli, Egidio Madeo, Emanuele Toraldo, Michela Sarnico, Giorgio Luzzana, Cesare Tomasi, Giuseppe De Palma
OBJECTIVES: We performed a cross-sectional study with the main aim of evaluating occupational exposure to polycyclic aromatic hydrocarbons (PAHs) in workers involved in the pavement construction of a new highway in Northern Italy, where modified bitumen was used as binder for Hot Mix Asphalt. METHODS: We applied a combined approach of air and biological monitoring. Both the aerosol and vapour phases of bitumen were collected applying the NIOSH 5506 method. The 16 PAHs listed as high priority by EPA were determined by HPLC-UV...
June 9, 2018: Toxicology Letters
Pelin Muhsir, Emrah Çakmakçi, Serap Demir, Ayşe Ogan
The modification of magnetic nanoparticles (MNPs) via different routes for biomolecule binding is an attractive area of research. Waterborne thiol-ene suspension photopolymerization (TESP) can be a useful method for preparing functional MNPs. In this study, for the very first time waterborne TESP was performed in the presence of MNPs. Neat MNPs were coated and in situ functionalized with amine groups by using thiol-ene chemistry. Engrailed-2 (EN2) protein, a potential biomarker for various cancers such as prostate cancer, bladder cancer, breast cancer and ovarian cancer, is known to be a strong binder to a specific DNA sequence (50-TAATTA-30) to regulate transcription...
May 28, 2018: Colloids and Surfaces. B, Biointerfaces
Lixia Guo, Jianying Wang, Xue Teng, Yangyang Liu, Xiaoming He, Zuofeng Chen
Design and fabrication of noble metal-free hydrogen evolution electrocatalysts with high activity is significant to future renewable energy systems. In this work, self-supported NiMo carbide nanowires have been developed on carbon cloth (Ni3Mo3C@NPC NWs/CC; NPC is N,P-doped carbon) through an electropolymerization-assisted procedure. During the synthesis process, NiMoO4 nanowires were first grown on CC through a hydrothermal reaction which is free of any polymer binder like Nafion. The as-prepared NiMoO4 NWs/CC was then coated by a layer of polypyrole (PPy) by electropolymerization that serves as carbon source for the subsequent conversion to Ni3Mo3C@NPC NWs/CC by carbothermal reduction...
June 12, 2018: ChemSusChem
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