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https://www.readbyqxmd.com/read/28635295/coarse-grained-models-of-aqueous-and-pure-liquid-alkanes
#1
Gaurav Gyawali, Samuel Sternfield, Revati Kumar, Steven W Rick
A model for linear alkanes is presented in which interaction sites are only on the carbon atoms and the range of the potential is reduced using the Stillinger-Weber potential. The model is optimized for aqueous and liquid alkane properties and can match thermodynamic and structural properties, including solvation free energies, liquid densities, and liquid/vapor and liquid/water surface tensions for alkanes over a range of lengths.The results for long alkanes indicates that such models can be useful as accurate, yet efficient, coarse-grained potentials for macromolecules in water and other environments...
June 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28635258/mucin-inspired-lubrication-on-hydrophobic-surfaces
#2
Benjamin Tillmann Käsdorf, Florian Weber, Georgia Petrou, Vaibhav Srivastava, Thomas Crouzier, Oliver Lieleg
In the human body, high molecular weight glycoproteins called mucins play a key role in protecting epithelial surfaces against pathogenic attack, controlling the passage of molecules towards the tissue and enabling boundary lubrication with very low friction coefficients. However, neither the molecular mechanisms nor the chemical motifs of those biomacromolecules involved in these fundamental processes are fully understood. Thus, identifying the key features that render biomacromolecules such as mucins outstanding boundary lubricants could set the stage for creating versatile artificial superlubricants...
June 21, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28634774/learning-from-synthetic-models-of-extracellular-matrix-differential-binding-of-wild-type-and-amyloidogenic-human-apolipoprotein-a-i-to-hydrogels-formed-from-molecules-having-charges-similar-to-those-found-in-natural-gags
#3
Silvana A Rosú, Leandro Toledo, Bruno F Urbano, Susana A Sanchez, Graciela C Calabrese, M Alejandra Tricerri
Among other components of the extracellular matrix (ECM), glycoproteins and glycosaminoglycans (GAGs) have been strongly associated to the retention or misfolding of different proteins inducing the formation of deposits in amyloid diseases. The composition of these molecules is highly diverse and a key issue seems to be the equilibrium between physiological and pathological events. In order to have a model in which the composition of the matrix could be finely controlled, we designed and synthesized crosslinked hydrophilic polymers, the so-called hydrogels varying the amounts of negative charges and hydroxyl groups that are prevalent in GAGs...
June 20, 2017: Protein Journal
https://www.readbyqxmd.com/read/28634011/immunomodulatory-properties-of-concholepas-concholepas-hemocyanin-against-francisellosis-in-a-zebrafish-model
#4
Leidy Lagos, Julia I Tandberg, María Inés Becker, Hanne C Winther-Larsen
The development of vaccines for aquaculture has been an important milestone in providing a continuous and sustainable production. Most of the vaccines currently on the market for aquaculture include oil as adjuvant. Nevertheless, several studies reported an occurrence of side effects after their use in farmed fish. As a result, there is a need for new and improved adjuvants that can stimulate the immune system while causing as few side-effects as possible. Hemocyanins are versatile macromolecules with strong immunogenic and immunomodulatory properties...
June 17, 2017: Fish & Shellfish Immunology
https://www.readbyqxmd.com/read/28632379/an-intracellular-delivery-platform-for-recalcitrant-cells-when-polymeric-carrier-marries-photoporation
#5
Jingxian Wu, Hui Xue, Zhonglin Lyu, Zhenhua Li, Yangcui Qu, Yajun Xu, Lei Wang, Qian Yu, Hong Chen
The intracellular delivery of exogenous macromolecules is of great interest for both fundamental biological research and clinical applications. Although traditional delivery systems based on either carrier mediation or membrane disruption have some advantages, however, they are generally limited with respect to delivery efficiency and cytotoxicity. Herein, a collaborative intracellular delivery platform with excellent comprehensive performance is developed using polyethylenimine of low molecular weight (LPEI) as a gene carrier in conjunction with a gold nanoparticle layer (GNPL) acting as a photoporation agent...
June 20, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28631913/-molecular-aspects-of-the-impact-of-the-speroton-complex-on-the-male-fertility-in-idiopathic-infertility
#6
Sh N Galimov, R M Akhmetov, E F Galimova, F M Bairamgulov, L R Bikkulova
AIM: To characterize the effect of the Speroton complex on the free radical homeostasis in the ejaculate of males of infertile couples and the likelihood of pregnancy in partners. MATERIALS AND METHODS: The study group comprised 30 men aged between 26 and 43 years (mean 33 +/- 4.8 years) with idiopathic infertility. All patients received Speroton one sachet once daily during meals for 3 months. The comparison group consisted of 29 men of fertile age having 1 to 3 healthy children...
June 2017: Urologii︠a︡
https://www.readbyqxmd.com/read/28631484/ocular-pharmacokinetics-of-therapeutic-antibodies-given-by-intravitreal-injection-estimation-of-retinal-permeabilities-using-a-3-compartment-semi-mechanistic-model
#7
Laurence A Hutton-Smith, Eamonn A Gaffney, Helen M Byrne, Philip K Maini, Kapil Gadkar, Norman Alan Mazer
Intravitreally (IVT) injected macromolecules for the treatment of age-related macular degeneration must permeate through the inner limiting membrane (ILM) into the retina and through the retinal pigment epithelium (RPE) to enter the choroid. A quantitative understanding of intraocular transport mechanisms, elimination pathways and the effect of molecular size, is currently incomplete. We present a semi-mechanistic, 3-compartment (retina, vitreous and aqueous) pharmacokinetic (PK) model, expressed using linear ordinary differential equations (ODEs), to describe the molecular concentrations following a single IVT injection...
June 20, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28630667/evaluation-of-radical-scavenging-system-in-amoeba-chaos-carolinense-during-nutrient-deprivation
#8
Yuru Deng, Edlyn Li-Hui Lee, Ketpin Chong, Zakaria A Almsherqi
The frequent appearance of non-lamellar membrane arrangements such as cubic membranes (CMs) in cells under stressed or pathological conditions points to an intrinsic cellular response mechanism. CM represents highly curved, three-dimensional nano-periodic structures that correspond to mathematically well-defined triply periodic minimal surfaces. Specifically, cellular membrane may transform into CM organization in response to pathological, inflammatory and oxidative stress conditions. CM organization, thus, may provide an advantage to cope with various types of stress...
August 6, 2017: Interface Focus
https://www.readbyqxmd.com/read/28628994/tio2-surfaces-support-neuron-growth-during-electric-field-stimulation
#9
M Canillas, B Moreno, E Chinarro, A M Rajnicek
TiO2 is proposed here for the first time as a substrate for neural prostheses that involve electrical stimulation. Several characteristics make TiO2 an attractive material: Its electrochemical behaviour as an insulator prevents surface changes during stimulation. Hydration creates -OH groups at the surface, which aid cell adhesion by interaction with inorganic ions and macromolecules in cell membranes. Its ability to neutralize reactive oxygen and nitrogen species that trigger inflammatory processes confers biocompatibility properties in dark conditions...
October 1, 2017: Materials Science & Engineering. C, Materials for Biological Applications
https://www.readbyqxmd.com/read/28628869/integrated-electrocoagulation-electrooxidation-process-for-the-treatment-of-soluble-coffee-effluent-optimization-of-cod-degradation-and-operation-time-analysis
#10
Harold N Ibarra-Taquez, Edison GilPavas, Ernest R Blatchley, Miguel-Ángel Gómez-García, Izabela Dobrosz-Gómez
Soluble coffee production generates wastewater containing complex mixtures of organic macromolecules. In this work, a sequential Electrocoagulation-Electrooxidation (EC-EO) process, using aluminum and graphite electrodes, was proposed as an alternative way for the treatment of soluble coffee effluent. Process operational parameters were optimized, achieving total decolorization, as well as 74% and 63.5% of COD and TOC removal, respectively. The integrated EC-EO process yielded a highly oxidized (AOS = 1.629) and biocompatible (BOD5/COD ≈ 0...
June 16, 2017: Journal of Environmental Management
https://www.readbyqxmd.com/read/28627759/vibrational-biospectroscopy-characterises-biochemical-differences-between-cell-types-used-for-toxicological-investigations-and-identifies-alterations-induced-by-environmental-contaminants
#11
Kelly A Heys, Richard F Shore, M Glória Pereira, Francis L Martin
The use of cell-based assays is essential in reducing the number of vertebrates used in the investigation of chemical toxicities and in regulatory toxicology assessment. An important factor in obtaining meaningful results which can be accurately extrapolated is the use of biologically appropriate cell lines. In this preliminary study, ATR-FTIR spectroscopy with multivariate analysis was used to assess the fundamental biomolecular differences between a commonly used cell line, MCF-7 cells, and an environmentally relevant cell line derived from Mallard (Anas platyrhynchos) dermal fibroblasts...
June 19, 2017: Environmental Toxicology and Chemistry
https://www.readbyqxmd.com/read/28627618/hypoxia-inducible-factor-1%C3%AE-regulates-autophagy-via-the-p27-e2f1-signaling-pathway
#12
Pan Wang, Meijing Long, Shijie Zhang, Zhenyun Cheng, Xin Zhao, Fucheng He, Hongchun Liu, Liang Ming
Autophagy is a highly conserved process by which the cell contents are delivered to lysosomes for degradation, or are used to provide macromolecules for energy generation under conditions of nutritional starvation. It has previously been demonstrated that cancer cells in hypoxic regions, with an oxygen concentration below the normal physiological level, express hypoxia inducible factor (HIF)‑1α, in order to adapt and survive. HIF‑1α is important in the regulation of oxygen homeostasis and the transcription of hundreds of genes in response to conditions of hypoxia, hence maintaining energy and redox homeostasis...
June 15, 2017: Molecular Medicine Reports
https://www.readbyqxmd.com/read/28625482/equalizing-the-information-amounts-of-protein-and-mrna-by-information-theory
#13
Y Adiguzel
Based on the Shannon's information communication theory, information amount of the entire length of a polymeric macromolecule can be calculated in bits through adding the entropies of each building block. Proteins, DNA and RNA are such macromolecules. When only the building blocks' variation is considered as the source of entropy, there is seemingly lower information in case of the protein if this approach is applied directly on a protein of specific size and the coding sequence size of the mRNA corresponding to the particular length of the protein...
June 15, 2017: Bio Systems
https://www.readbyqxmd.com/read/28624002/pathophysiology-of-venous-ulceration
#14
REVIEW
Joel M Crawford, Brajesh K Lal, Walter N Durán, Peter J Pappas
Our understanding of the pathophysiologic process of venous ulceration has dramatically increased during the past two decades because of dedicated, venous-specific basic science research. Currently, the mechanisms regulating venous ulceration are a combination of macroscopic and microscopic pathologic processes. Macroscopic alterations refer to pathologic processes related to varicose vein formation, vein wall architecture, and cellular abnormalities that impair venous function. These processes are primarily caused by genetic factors that lead to the destruction of normal vein wall architecture and venous hypertension...
July 2017: Journal of Vascular Surgery. Venous and Lymphatic Disorders
https://www.readbyqxmd.com/read/28623707/the-role-of-pon-1-gr-il-18-and-oxldl-in-depression-with-and-without-posttraumatic-stress-disorder
#15
Ewa A Ogłodek
BACKGROUND: Both oxidative stress markers and inflammatory markers are important when diagnosing depression. Oxidative stress occurs due to an imbalance between free radical generation and antioxidant potential. Both adenosine triphosphate and reactive oxygen/nitrogen species are released during oxidative phosphorylation. When neuroinflammation and free radical production are increased, oxidative stress occurs and causes damage to all major cellular macromolecules. The aim of the study was to compare the concentrations of paraoxonase-1 (PON-1), glutathione reductase (GR), interleukin-18 (IL-18), and oxidized low-density lipoproteins (OxLDL) in depressed patients with and without posttraumatic stress disorder (PTSD), and PTSD alone...
March 27, 2017: Pharmacological Reports: PR
https://www.readbyqxmd.com/read/28623694/monitoring-of-nanoclay-protein-adsorption-isotherms-via-fluorescence-techniques
#16
Tom Felbeck, Sebastian Moss, Alexandre M P Botas, Marina M Lezhnina, Rute A S Ferreira, Luís D Carlos, Ulrich H Kynast
The investigation of nanoparticles and their interaction with bio-macromolecules have become an important issue; the widely discussed protein corona around nanoparticles and their biological fate in general have drawn particular attention. Here, we focus on nanoclay dispersions and the use of solvatochromic fluorescent dyes (Dansyl and Coumarin 153) for monitoring the interaction with two model proteins, bovine serum albumin and β-lactoglobulin. On one hand, these dyes are poorly emissive in water, but experience a boost in their fluorescence when adsorbed into the hydrophobic domains of proteins...
June 6, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28623034/new-nmr-tools-for-protein-structure-and-function-spin-tags-for-dynamic-nuclear-polarization-solid-state-nmr
#17
Rivkah Rogawski, Ann McDermott
Magic angle spinning solid state NMR studies of biological macromolecules [1-3] have enabled exciting studies of membrane proteins [4,5], amyloid fibrils [6], viruses, and large macromolecular assemblies [7]. Dynamic nuclear polarization (DNP) provides a means to enhance detection sensitivity for NMR, particularly for solid state NMR, with many recent biological applications and considerable contemporary efforts towards elaboration and optimization of the DNP experiment. This review explores precedents and innovations in biological DNP experiments, especially highlighting novel chemical biology approaches to introduce the radicals that serve as a source of polarization in the DNP experiments...
June 13, 2017: Archives of Biochemistry and Biophysics
https://www.readbyqxmd.com/read/28620626/tobacco-smoke-constituents-trigger-cytoplasmic-calcium-release
#18
M Flori Sassano, Arunava Ghosh, Robert Tarran
Cytosolic Ca(2+) is a universal second messenger that is involved in many processes throughout the body, including the regulation of cell growth/cell division, apoptosis, and the secretion of both ions, and macromolecules. Tobacco smoke exerts multiple effects on airway epithelia and we have previously shown that Kentucky reference cigarette smoke exposure elevated the second messenger Ca(2+), leading to dysfunctional ion secretion. In this study, we tested whether little cigar and commercial cigarette smoke exposure exerts similar effects on intracellular Ca(2+) levels...
June 1, 2017: Applied in Vitro Toxicology
https://www.readbyqxmd.com/read/28618998/the-role-of-mitochondrial-dysfunction-in-the-progression-of-alzheimer-s-disease
#19
Claus Desler, Meryl S Lillenes, Tone Tønjum, Lene Juel Rasmussen
The current molecular understanding of Alzheimer's disease (AD) has still not resulted in successful interventions. Mitochondrial dysfunction of the AD brain is currently emerging as a hallmark of this disease. One mitochondrial function often affected in AD is oxidative phosphorylation responsible for ATP production, but also for production of reactive oxygen species (ROS) and for the de novo synthesis of pyrimidines. This paper reviews the role of mitochondrial produced ROS and pyrimidines in the aetiology of AD and their proposed role in oxidative degeneration of macromolecules, synthesis of essential phospholipids and maintenance of mitochondrial viability in the AD brain...
June 16, 2017: Current Medicinal Chemistry
https://www.readbyqxmd.com/read/28618363/simultaneous-sorption-and-catalytic-oxidation-of-trivalent-antimony-by-canna-indica-derived-biochars
#20
Xiaoqiang Cui, Qijun Ni, Qiang Lin, Kiran Yasmin Khan, Tingqiang Li, Muhammad Bilal Khan, Zhenli He, Xiaoe Yang
The simultaneous sorption and oxidation of Sb(III) on biochars were investigated using batch experiments. The biochars were derived from Canna indica at different pyrolysis temperatures (300-600 °C, referred as CIB300-CIB600), and characterized by FTIR, BET, XRD, SEM-EDS, EPR and Boehm titration. The Sb(III) sorption data could be well fitted by both the Langmuir and Freundlich models, and the pseudo-second order model is best for describing the kinetic data. The maximum Sb(III) sorption capacity of CIB300 was 16...
June 12, 2017: Environmental Pollution
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