keyword
MENU ▼
Read by QxMD icon Read
search

dimerization

keyword
https://www.readbyqxmd.com/read/28813774/pulmonary-embolism-caused-by-popliteal-vein-aneurysm-a-case-report
#1
Kevin Marquez, Kalyan Chakravarthy Potu, Chad Laurich, Randall Lamfers
In this case report, we describe an unusual episode of bilateral submassive pulmonary embolism (PE) caused by a popliteal vein aneurysm (PVA). The development of PE stems from many risk factors including obesity (BMI³ 30 kg/m2), hypertension, cigarette smoking (greater than 25 cigarettes per day), increasing age, surgery, immobility, malignancy, and inherited thrombophilia. A PVA is a rare but significant cause of PE. A 28-year-old male presented to the emergency department with progressive shortness of breath...
March 2017: South Dakota Medicine: the Journal of the South Dakota State Medical Association
https://www.readbyqxmd.com/read/28813681/uncoupling-the-mitogenic-and-metabolic-functions-of-fgf1-by-tuning-fgf1-fgf-receptor-dimer-stability
#2
Zhifeng Huang, Yi Tan, Junlian Gu, Yang Liu, Lintao Song, Jianlou Niu, Longwei Zhao, Lakshmi Srinivasan, Qian Lin, Jingjing Deng, Yang Li, Daniel J Conklin, Thomas A Neubert, Lu Cai, Xiaokun Li, Moosa Mohammadi
The recent discovery of metabolic roles for fibroblast growth factor 1 (FGF1) in glucose homeostasis has expanded the functions of this classically known mitogen. To dissect the molecular basis for this functional pleiotropy, we engineered an FGF1 partial agonist carrying triple mutations (FGF1(ΔHBS)) that diminished its ability to induce heparan sulfate (HS)-assisted FGF receptor (FGFR) dimerization and activation. FGF1(ΔHBS) exhibited a severely reduced proliferative potential, while preserving the full metabolic activity of wild-type FGF1 in vitro and in vivo...
August 15, 2017: Cell Reports
https://www.readbyqxmd.com/read/28813589/regulation-of-stability-on-histone-h2a-h2b-dimer-by-h2a-tyr57-phosphorylation
#3
Takuma Sueoka, Gosuke Hayashi, Akimitsu Okamoto
Histone H2A and H2B form a H2A-H2B heterodimer, which is a fundamental unit of nucleosome assembly and disassembly. Several posttranslational modifications change the interface between the H2A-H2B dimer and the H3-H4 tetramer, and regulate nucleosome stability. However, posttranslational modifications associated with the interface between H2A and H2B have not been discussed. In this paper, it is shown that Tyr57 phosphorylation in H2A strongly influences H2A-H2B dimerization. Tyr57-phosphorylated H2A was chemically synthesized and utilized to reconstitute the H2A-H2B dimer and nucleosome as well as canonical H2A...
August 16, 2017: Biochemistry
https://www.readbyqxmd.com/read/28813152/coherent-exciton-delocalization-in-a-two-state-dna-templated-dye-aggregate-system
#4
Brittany L Cannon, Donald L Kellis, Lance Kenneth Patten, Paul H Davis, Jeunghoon Lee, Elton Graugnard, Bernard Yurke, William B Knowlton
Coherent exciton delocalization in dye aggregate systems gives rise to a variety of intriguing optical phenomena, including J- and H-aggregate behavior and Davydov splitting. Systems that exhibit coherent exciton delocalization at room temperature are of interest for the development of artificial light-harvesting devices, colorimetric detection schemes, and quantum computers. Here, we report on a simple dye system templated by DNA that exhibits tunable optical properties. At low salt and DNA concentrations, a DNA duplex with two internally functionalized Cy5 dyes (i...
August 16, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28813049/unprecedented-solvent-induced-inter-conversion-between-monomeric-and-dimeric-silylene-zinc-iodide-adducts
#5
Sandeep Yadav, Ekta Sangtani, Diksha Dhawan, Rajesh G Gonnade, Debashree Ghosh, Sakya S Sen
Usually, when a silylene reacts with a transition metal Lewis acid, it forms an adduct which could be either monomeric or dimeric. However, we present here that a silylene, [PhC(NtBu)2SiN(SiMe3)2] can form both monomeric [PhC(NtBu)2Si{N(SiMe3)2} → ZnI2]·THF (1) and dimeric [{PhC(NtBu)2}(N(SiMe3)2)SiZnI,(μ-I)]2 (2) adducts upon reaction with ZnI2. The formation of 1 and 2 relies upon the solvent used for the reaction or crystallization. When the crystallization is carried out in THF complex 1 is formed, however, when the reaction and crystallization are performed in acetonitrile complex 2 is obtained...
August 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28813011/insights-into-the-effect-of-the-g245s-single-point-mutation-on-the-structure-of-p53-and-the-binding-of-the-protein-to-dna
#6
Marco Gaetano Lepre, Sara Ibrahim Omar, Gianvito Grasso, Umberto Morbiducci, Marco Agostino Deriu, Jack A Tuszynski
The transcription factor p53 is a potent tumor suppressor dubbed as the "guardian of the genome" because of its ability to orchestrate protective biological outputs in response to a variety of oncogenic stresses. Mutation and thus inactivation of p53 can be found in 50% of human tumors. The majority are missense mutations located in the DNA binding region. Among them, G245S is known to be a structural hotspot mutation. To understand the behaviors and differences between the wild-type and mutant, both a dimer of the wild type p53 (wt-p53) and its G245S mutant (G245S-mp53), complexed with DNA, were simulated using molecular dynamics for more than 1 μs...
August 16, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28812194/amorphous-silica-promoted-lysine-dimerization-a-thermodynamic-prediction
#7
Norio Kitadai, Kumiko Nishiuchi, Akari Nishii, Keisuke Fukushi
It has long been suggested that mineral surfaces played a crucial role in the abiotic polymerization of amino acids that preceded the origin of life. Nevertheless, it remains unclear where the prebiotic process took place on the primitive Earth, because the amino acid-mineral interaction and its dependence on environmental conditions have yet to be understood adequately. Here we examined experimentally the adsorption of L-lysine (Lys) and its dimer (LysLys) on amorphous silica over a wide range of pH, ionic strength, adsorbate concentration, and the solid/water ratio, and determined the reaction stoichiometries and the equilibrium constants based on the extended triple-layer model (ETLM)...
August 15, 2017: Origins of Life and Evolution of the Biosphere
https://www.readbyqxmd.com/read/28811659/identification-synthesis-and-biological-activity-of-alkyl-guanidine-oligomers-as-potent-antibacterial-agents
#8
C Zamperini, G Maccari, D Deodato, C Pasero, I D'Agostino, F Orofino, F De Luca, E Dreassi, J D Docquier, M Botta
In the last two decades, the repertoire of clinically effective antibacterials is shrinking due to the rapidly increasing of multi-drug-resistant pathogenic bacteria. New chemical classes with innovative mode of action are required to prevent a return to the pre-antibiotic era. We have recently reported the identification of a series of linear guanidine derivatives and their antibacterial properties. A batch of a promising candidate for optimization studies (compound 1) turned out to be a mixture containing two unknown species with a better biological activity than the pure compound...
August 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28811301/topically-applied-carvedilol-attenuates-solar-ultraviolet-radiation-induced-skin-carcinogenesis
#9
Kevin M Huang, Sherry Liang, Steven Yeung, Etuajie Oiyemhonlan, Kristan H Cleveland, Cyrus Parsa, Robert Orlando, Frank L Meyskens, Bradley Andresen, Ying Huang
In previous studies, the β-blocker carvedilol inhibited EGF-induced epidermal cell transformation and chemical carcinogen-induced mouse skin hyperplasia. As exposure to ultraviolet (UV) radiation leads to skin cancer, the present study examined whether carvedilol can prevent UV-induced carcinogenesis. Carvedilol absorbs UV like a sunscreen; thus, to separate pharmacological from sunscreen effects, 4-hydroxycarbazole (4-OHC), which absorbs UV to the same degree as carvedilol, served as control. JB6 P+ cells, an established epidermal model for studying tumor promotion, were used for evaluating the effect of carvedilol on UV-induced neoplastic transformation...
August 15, 2017: Cancer Prevention Research
https://www.readbyqxmd.com/read/28810796/molecular-dynamics-simulations-of-fluid-cyclopropane-with-mp2-cbs-fitted-intermolecular-interaction-potentials
#10
Yen-Ching Ho, Yi-Siang Wang, Sheng D Chao
Modeling fluid cycloalkanes with molecular dynamics simulations has proven to be a very challenging task partly because of lacking a reliable force field based on quantum chemistry calculations. In this paper, we construct an ab initio force field for fluid cyclopropane using the second-order Møller-Plesset perturbation theory. We consider 15 conformers of the cyclopropane dimer for the orientation sampling. Single-point energies at important geometries are calibrated by the coupled cluster with single, double, and perturbative triple excitation method...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28810787/transforming-high-dimensional-potential-energy-surfaces-into-sum-of-products-form-using-monte-carlo-methods
#11
Markus Schröder, Hans-Dieter Meyer
We propose a Monte Carlo method, "Monte Carlo Potfit," for transforming high-dimensional potential energy surfaces evaluated on discrete grid points into a sum-of-products form, more precisely into a Tucker form. To this end we use a variational ansatz in which we replace numerically exact integrals with Monte Carlo integrals. This largely reduces the numerical cost by avoiding the evaluation of the potential on all grid points and allows a treatment of surfaces up to 15-18 degrees of freedom. We furthermore show that the error made with this ansatz can be controlled and vanishes in certain limits...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28810778/hydrogen-bond-network-rearrangement-dynamics-in-water-clusters-effects-of-intermolecular-vibrational-excitation-on-tunneling-rates
#12
William T S Cole, Richard J Saykally
Theoretical studies of hydrogen bond network rearrangement (HBNR) dynamics in liquid water have indicated that librational motions initiate the hydrogen bond breaking/formation processes. We present the results of using a simple time evolution method to extract and compare the tunneling lifetimes for motions that break and reform the hydrogen bond for the water dimer, trimer, and pentamer from the experimentally measured tunneling splittings in the ground and excited intermolecular vibrational states. We find that the specific nature of the intermolecular vibrational excitation does not significantly influence the tunneling lifetime of the dimer, but that only excitations to a librational vibration affect the water trimer and pentamer lifetimes...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28810777/description-of-ground-and-excited-electronic-states-by-ensemble-density-functional-method-with-extended-active-space
#13
Michael Filatov, Todd J Martínez, Kwang S Kim
An extended variant of the spin-restricted ensemble-referenced Kohn-Sham (REKS) method, the REKS(4,4) method, designed to describe the ground electronic states of strongly multireference systems is modified to enable calculation of excited states within the time-independent variational formalism. The new method, the state-interaction state-averaged REKS(4,4), i.e., SI-SA-REKS(4,4), is capable of describing several excited states of a molecule involving double bond cleavage, polyradical character, or multiple chromophoric units...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28810764/many-body-dynamics-of-chemically-propelled-nanomotors
#14
Peter H Colberg, Raymond Kapral
The collective behavior of chemically propelled sphere-dimer motors made from linked catalytic and noncatalytic spheres in a quasi-two-dimensional confined geometry is studied using a coarse-grained microscopic dynamical model. Chemical reactions at the catalytic spheres that convert fuel to product generate forces that couple to solvent degrees of freedom as a consequence of momentum conservation in the microscopic dynamics. The collective behavior of the many-body system is influenced by direct intermolecular interactions among the motors, chemotactic effects due to chemical gradients, hydrodynamic coupling, and thermal noise...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28810750/the-metal-insulator-transition-in-the-organic-conductor-%C3%AE-%C3%A2-bedt-ttf-2hg-scn-2cl
#15
Weiwu Li, Eva Rose, Minh Vu Tran, Ralph Hübner, Andrzej Łapiński, Roman Świetlik, Svetlana A Torunova, Elena I Zhilyaeva, Rimma N Lyubovskaya, Martin Dressel
We explore the nature of the metal-insulator transition in the two-dimensional organic compound β(″)-(BEDT-TTF)2Hg(SCN)2Cl by x-ray, electrical transport, ESR, Raman, and infrared investigations. Magnetic and vibrational spectroscopy concurrently reveal a gradual dimerization along the stacking direction (a-b), setting in already at the crossover temperature of 150 K from the metallic to the insulating state. A spin gap of Δσ=47 meV is extracted. From the activated resistivity behavior below T = 55 K, a charge gap of Δρ=60 meV is derived...
August 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28809961/biochemical-characterization-of-recombinant-influenza-a-polymerase-heterotrimer-complex-endonuclease-activity-and-evaluation-of-inhibitors
#16
Weimei Xing, Ona Barauskas, Thorsten Kirschberg, Anita Niedziela-Majka, Michael Clarke, Gabriel Birkus, Perry Weissburg, Xiaohong Liu, Brian E Schultz, Roman Sakowicz, HyockJoo Kwon, Joy Y Feng
Influenza polymerase is a heterotrimer composed of polymerase acidic protein A (PA) and basic proteins 1 (PB1) and 2 (PB2). The endonuclease active site, located in the PA subunit, cleaves host mRNA to prime viral mRNA transcription, and is essential for viral replication. To date, the human influenza A endonuclease activity has only been studied on the truncated active-site containing N-terminal domain of PA (PAN) or full-length PA in the absence of PB1 or PB2. In this study, we characterized the endonuclease activity of recombinant proteins of influenza A/PR8 containing full length PA, PA/PB1 dimer, and PA/PB1/PB2 trimer, observing 8...
2017: PloS One
https://www.readbyqxmd.com/read/28809819/tamra-tamra-fluorescence-quenching-systems-for-the-activity-assay-of-alkaline-phosphatase
#17
Akio Shiba, Emiko Kinoshita-Kikuta, Eiji Kinoshita, Tohru Koike
We introduce two types of fluorescence-quenching assay for alkaline phosphatases (APs) by using a carboxytetramethyl-rhodamine (TAMRA)-labeled phosphate-binding tag molecule (TAMRA-Phos-tag). In the first assay, TAMRA-labeled O-phosphorylethanolamine (TAMRA-PEA) was used as an artificial AP-substrate. TAMRA-Phos-tag specifically captured TAMRA-PEA to form a 1:1 complex at pH 7.4; the intensity of the fluorescence peak of the complex at 580 nm (λex = 523 nm) was significantly reduced to 32% of the average value for the two individual components as a result of the mutual approach of the TAMRA moieties...
August 15, 2017: Sensors
https://www.readbyqxmd.com/read/28809462/multiple-electronic-and-structural-factors-control-cpd-and-6-4-thymine-thymine-photodimerization-in-dna-duplex
#18
Irene Conti, Lara Martinez Fernandez, Luciana Esposito, Siegfried Hofinger, Artur Nenov, Marco Garavelli, Roberto Improta
The T-T photodimerization paths leading to the formation of cyclobutane pyrimidine dimer (CPD) and 6-4 pyrimidine pyrimidone (64-PP), the two main DNA photolesions, have been resolved for a T-T step in a DNA duplex by two complementary state-of-the art quantum mechanical approaches: QM(CASPT2//CASSCF)/MM and TD-DFT/PCM. Based on the analysis of several different representative structures, we define a new-ensemble of cooperating geometrical and electronic factors (besides the distance between the reacting bonds) ruling T-T photodimerization in DNA...
August 15, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28808888/has-time-come-for-the-use-of-direct-oral-anticoagulants-in-the-extended-prophylaxis-of-venous-thromboembolism-in-acutely-ill-medical-patients-yes
#19
Walter Ageno
Betrixaban is a direct factor Xa inhibitor with a renal excretion of only approximately 5-7%. On June 23rd 2017, it became the first direct oral anticoagulant to receive Food and Drug Administration approval for the prevention of venous thromboembolism in acutely ill medical patients, and the first anticoagulant agent to be approved for extended-duration thromboprophylaxis after hospital discharge in this setting. Approval followed the results of the APEX trial, a phase III clinical trial comparing betrixaban (80 mg) administered for 35-42 days with enoxaparin (40 mg) administered for 10 ± 4 days...
August 14, 2017: Internal and Emergency Medicine
https://www.readbyqxmd.com/read/28808800/insights-into-the-self-assembly-steps-of-cyanuric-acid-toward-rosette-motifs-a-dft-study
#20
Andre N Petelski, Nélida M Peruchena, Silvana C Pamies, Gladis L Sosa
The nature of non-covalent interactions in self-assembling systems is a topic that has aroused great attention in literature. In this field, the 1,3,5-triazinane-2,4,6-trione or cyanuric acid (CA) is one of the most widely used molecules to formulate self-assembled materials or monolayers. In the present work, a variety of molecular aggregates of CA are examined using three different DFT functionals (B3LYP, B3LYP-D3, and ω-B97XD) in the framework of the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis...
August 14, 2017: Journal of Molecular Modeling
keyword
keyword
46994
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"