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Systems chemistry

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https://www.readbyqxmd.com/read/28742334/health-effects-of-dietary-oxidized-tyrosine-and-dityrosine-administration-in-mice-with-nutrimetabolomic-strategies
#1
Yuhui Yang, Hui Zhang, Biao Yan, Tianyu Zhang, Ying Gao, Yonghui Shi, Guowei Le
This study aims to investigate the health effects of long-term dietary oxidized tyrosine (O-Tyr) and its main product (dityrosine) administration on mice metabolism. Mice received daily intragastric administration of either O-Tyr (320 μg/kg body weight), dityrosine (Dityr, 320 μg/kg body weight) or saline for consecutive six weeks. Urine and plasma samples were analyzed by NMR-based metabolomics strategies. Body weight, clinical chemistry, oxidative damage indexes and histopathological data were obtained as complementary information...
July 25, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28742258/metabolite-profiling-of-non-sterile-rhizosphere-soil
#2
Pierre Pétriacq, Alex Williams, T E Anne Cotton, Alexander E McFarlane, Stephen A Rolfe, Jurriaan Ton
Rhizosphere chemistry is the sum of root exudation chemicals, their breakdown products and microbial products of soil-derived chemicals. To date, most studies about root exudation chemistry are based on sterile cultivation systems, which limits the discovery of microbial breakdown products that act as semiochemicals and shape microbial rhizosphere communities. Here, we present a method for untargeted metabolic profiling of non-sterile rhizosphere soil. We have developed an experimental growth system that enables collection and analysis of rhizosphere chemicals from different plant species...
July 25, 2017: Plant Journal: for Cell and Molecular Biology
https://www.readbyqxmd.com/read/28742140/short-16-mer-locked-nucleic-acid-splice-switching-oligonucleotides-restore-dystrophin-production-in-duchenne-muscular-dystrophy-myotubes
#3
Vanessa Borges Pires, Ricardo Simões, Kamel Mamchaoui, Célia Carvalho, Maria Carmo-Fonseca
Splice-switching antisense oligonucleotides (SSOs) offer great potential for RNA-targeting therapies, and two SSO drugs have been recently approved for treating Duchenne Muscular Dystrophy (DMD) and Spinal Muscular Atrophy (SMA). Despite promising results, new developments are still needed for more efficient chemistries and delivery systems. Locked nucleic acid (LNA) is a chemically modified nucleic acid that presents several attractive properties, such as high melting temperature when bound to RNA, potent biological activity, high stability and low toxicity in vivo...
2017: PloS One
https://www.readbyqxmd.com/read/28741454/nanovesicular-formulations-for-cancer-gene-therapy
#4
Lorena Tavano, Elisabetta Mazzotta, Rita Muzzalupo
In the last decades, gene therapy has become a novel therapeutic strategy for cancer treatment, including immunologic and molecular approaches. Among molecular avenue, the design of efficient and effective gene delivery systems, like cationic liposomes and niosomes, has been widely investigated and proposed as the most promising research area. The advantages of cationic vesicles rely on their natural ability to form complexes with anionic genetic molecules and deliver them into the cells via the endosomal pathway...
May 18, 2017: Current Pharmaceutical Design
https://www.readbyqxmd.com/read/28740862/giant-convecting-mud-balls-of-the-early-solar-system
#5
Philip A Bland, Bryan J Travis
Carbonaceous asteroids may have been the precursors to the terrestrial planets, yet despite their importance, numerous attempts to model their early solar system geological history have not converged on a solution. The assumption has been that hydrothermal alteration was occurring in rocky asteroids with material properties similar to meteorites. However, these bodies would have accreted as a high-porosity aggregate of igneous clasts (chondrules) and fine-grained primordial dust, with ice filling much of the pore space...
July 2017: Science Advances
https://www.readbyqxmd.com/read/28740614/new-class-of-antitrypanosomal-agents-based-on-imidazopyridines
#6
Daniel G Silva, J Robert Gillespie, Ranae M Ranade, Zackary M Herbst, Uyen T T Nguyen, Frederick S Buckner, Carlos A Montanari, Michael H Gelb
The present work describes the synthesis of 22 new imidazopyridine analogues arising from medicinal chemistry optimization at different sites on the molecule. Seven and 12 compounds exhibited an in vitro EC50 ≤ 1 μM against Trypanosoma cruzi (T. cruzi) and Trypanosoma brucei (T. brucei) parasites, respectively. Based on promising results of in vitro activity (EC50 < 100 nM), cytotoxicity, metabolic stability, protein binding, and pharmacokinetics (PK) properties, compound 20 was selected as a candidate for in vivo efficacy studies...
July 13, 2017: ACS Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/28740467/phosphonothioate-based-hydrogen-sulfide-releasing-reagents-chemistry-and-biological-applications
#7
REVIEW
Jianming Kang, Deshka L Neill, Ming Xian
Hydrogen sulfide (H2S) is a newly recognized gasotransmitter. Studies have demonstrated that the production of endogenous H2S and the exogenous administration of H2S can regulate many physiological and/or pathological processes. Therefore, H2S releasing agents (also known as H2S donors) are important research tools in advancing our understanding of the biology and clinical potential of H2S. Among currently available donors, GYY4137 is probably the most well-known and has been used in many studies in the past 10 years...
2017: Frontiers in Pharmacology
https://www.readbyqxmd.com/read/28740382/dual-linker-gold-nanoparticles-as-adjuvanting-carriers-for-multivalent-display-of-recombinant-influenza-hemagglutinin-trimers-and-flagellin-improve-the-immunological-responses-in-vivo-and-in-vitro
#8
Chao Wang, Wandi Zhu, Bao-Zhong Wang
Vaccination is the most cost-effective means of infectious disease control. Although current influenza vaccines are effective in battling closely matched strains, such vaccines have major limitations such as the requirement to produce new vaccines every season, an egg-dependent production system, long production periods, uncertainty in matching the vaccine to circulating strains, and the inability to react to new influenza pandemics resulting from genetic drift or shift. To overcome the intrinsic limitations of the conventional influenza vaccine, we have designed dual-linker gold nanoparticles (AuNPs) conjugated with both recombinant trimetric A/Aichi/2/68 (H3N2), hemagglutinin (HA) and TLR5 agonist flagellin (FliC) as a novel vaccine approach...
2017: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/28739822/stress-responsive-hilpda-is-necessary-for-thermoregulation-during-fasting
#9
Matthew J VandeKopple, Jinghai Wu, Lisa A Baer, Naresh C Bal, Santosh K Maurya, Anuradha Kalyanasundaram, Muthu Periasamy, Kristin I Stanford, Amato Giaccia, Nicholas Denko, Ioanna Papandreou
Hypoxia-Inducible Lipid-Droplet Associated protein (HILPDA) has been shown to localize to lipid droplets in nutrient responsive cell types such as hepatocytes and adipocytes. However, its role in the control of whole-body homeostasis is not known. We sought to measure cell-intrinsic and systemic stress responses in a mouse strain harboring whole body Hilpda deficiency. We generated a genetically engineered mouse model of whole body HILPDA deficiency by replacing the coding HILPDA exon with Luciferase. We subjected the knockout animals to environmental stresses and measured whole-animal metabolic and behavioral parameters...
July 24, 2017: Journal of Endocrinology
https://www.readbyqxmd.com/read/28738291/inflammation-responsive-self-regulated-drug-release-from-ultrathin-hydrogel-coating
#10
Min He, Qian Wang, Zhenqiang Shi, Yi Xie, Weifeng Zhao, Changsheng Zhao
Heterotopic ossification(HO) is a potential severe complication after many biomaterial implanting surgeries, and the inflammation environment caused by the implanting-associated infections is considered as the main nosogenesis. Herein, an inflammation-responsive drug release system was designed by chemically conjugating indometacin (via ester group) onto hydrogel coating to realize local self-regulated drug release to prevent HO. In our strategy, poly(3-mercaptopropyl)trimethoxysilane-co-acrylic acrylate and polyvinyl alcohol (providing anchoring sites for drug molecules) were firstly synthesized and functionalized with ene-groups, then a hydrogel layer was formed and covalently attached onto thiol-modified substrate via thiol-ene click chemistry, followed by grafting indometacin...
July 18, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28738173/simulating-the-meteorology-and-pm10-concentrations-in-arizona-dust-storms-with-the-weather-research-and-forecasting-model-with-chemistry-wrf-chem
#11
Peter Hyde, Alex Mahalov, Jialun Li
Nine dust storms in south-central Arizona, USA were simulated with the Weather Research and Forecasting with Chemistry model (WRF-Chem) at 2-km resolution. The windblown dust emission algorithm was the Air Force Weather Agency model. In comparison with ground-based PM10 observations, the model unevenly reproduces the dust storm events. The model adequately estimates the location and timing of the events, but it is unable to precisely replicate the magnitude and timing of the elevated hourly concentrations of particles 10 microns and smaller ([PM10])...
July 24, 2017: Journal of the Air & Waste Management Association
https://www.readbyqxmd.com/read/28737891/dynamic-chemistry-based-sensing-a-molecular-system-for-detection-of-saccharide-formaldehyde-and-silver-ion
#12
Xingmao Chang, Zhaolong Wang, Yanyu Qi, Rui Kang, Xinwen Cui, Congdi Shang, Kaiqiang Liu, Yu Fang
Development of artificial complex molecular systems is of great importance in understanding complexity in natural processes and for achieving new functionalities. One of the strategies is to create them via optimized utilization of noncovalent interactions and dynamic covalent bonds. We report here on a new complex molecular system, which was constructed by integrating the multiple interactions containing dynamic covalent interaction between 1,2-diol and boronic acid, coordination interaction between silver ion and pyridyl, and an easy accessible reaction between secondary amine and formaldehyde...
July 24, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28737822/liquid-crystal-templating-as-an-approach-to-spatially-and-temporally-organise-soft-matter
#13
REVIEW
Pim van der Asdonk, Paul H J Kouwer
Chemistry quickly moves from a molecular science to a systems science. This requires spatial and temporal control over the organisation of molecules and molecular assemblies. Whilst Nature almost by default (transiently) organises her components at multiple different length scales, scientists struggle to realise even relatively straightforward patterns. In the past decades, supramolecular chemistry has taught us the rules to precisely engineer molecular assembly at the nanometre scale. At higher length scales, however, we are bound to top-down nanotechnology techniques to realise order...
July 24, 2017: Chemical Society Reviews
https://www.readbyqxmd.com/read/28737391/role-of-dispersive-fluorous-interaction-in-the-solvation-dynamics-of-the-perfluoro-group-containing-molecules
#14
Saptarsi Mondal, Soumit Chaterjee, Ritaban Halder, Biman Jana, Prashant Chandra Singh
Perfluoro group containing molecules possess an important self-aggregation property through the fluorous (F•••F) interaction which makes them useful for diverse applications such as medicinal chemistry, separation techniques, polymer technology and biology. In this paper, we have investigated the solvation dynamics of coumarin-153 (C153) and coumarin-6H (C6H) in ethanol (ETH), 2-fluoroethanol (MFE) and 2,2,2-trifluoroethanol (TFE) using the femtosecond upconversion technique and molecular dynamics (MD) simulation to understand the role of fluorous interaction between the solute and solvent molecules in the solvation dynamics of perfluoro group containing molecules...
July 24, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28737009/non-additive-stabilization-by-halogenated-amino-acids-reveals-protein-plasticity-on-a-sub-angstrom-scale
#15
Azade S Hosseini, Christopher J Pace, Adam A Esposito, Jianmin Gao
It has been a long-standing goal to understand the structure-stability relationship of proteins, as optimal stability is essential for protein function and highly desirable for protein therapeutics. Halogenation has emerged as a minimally invasive strategy to probe the physical characteristics of proteins in solution, as well as enhance the structural stabilities of proteins for therapeutic applications. Although advances in synthetic chemistry and genetic code expansion have allowed for the rapid synthesis of proteins with diverse chemical sequences, much remains to be learned regarding the impact of these mutations on their structural integrity...
July 24, 2017: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/28735536/five-electronic-state-beyond-born-oppenheimer-equations-and-their-applications-to-nitrate-and-benzene-radical-cation
#16
Soumya Mukherjee, Bijit Mukherjee, Satrajit Adhikari
We present explicit form of Adiabatic to Diabatic Transformation (ADT) equations and expressions of non-adiabatic coupling terms (NACTs) for a coupled five-state electronic manifold in terms of ADT angles between electronic wavefunctions. ADT matrices eliminate the numerical instability arising from singularity of NACTs and transform the adiabatic Schrödinger equation to its diabatic form. Two real molecular systems NO3 and C6H6(+) (Bz(+)) are selectively chosen for the demonstration of workability of those equations...
July 24, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28735483/amlprofiler-a-diagnostic-and-prognostic-microarray-for-acute-myeloid-leukemia
#17
Marco Alessandrini, Sharon S Kappala, Michael S Pepper
Acute myeloid leukemia is characterized by the proliferation and accumulation of immature hematopoietic cells of the myeloid lineage in the bone marrow. The disease is typified by diverse genetic abnormalities and marked heterogeneity both with regard to response to treatment and survival. The AMLprofiler is a qualitative in vitro diagnostic microarray developed by SkylineDx for use with Affymetrix technology. The AMLprofiler makes use of RNA chemistry and incorporates seven separate assays based on three different technologies-cytogenetics, mutation, and expression analysis-to predict post-therapy survival rates in patients with acute myeloid leukemia...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/28734297/nonequilibrium-phase-coexistence-and-criticality-near-the-second-explosion-limit-of-hydrogen-combustion
#18
Lucas B Newcomb, Mohammad Alaghemandi, Jason R Green
While hydrogen is a promising source of clean energy, the safety and optimization of hydrogen technologies rely on controlling ignition through explosion limits: pressure-temperature boundaries separating explosive behavior from comparatively slow burning. Here, we show that the emergent nonequilibrium chemistry of combustible mixtures can exhibit the quantitative features of a phase transition. With stochastic simulations of the chemical kinetics for a model mechanism of hydrogen combustion, we show that the boundaries marking explosive domains of kinetic behavior are nonequilibrium critical points...
July 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28734279/a-discrete-fourier-encoded-diagonal-free-experiment-to-simplify-homonuclear-2d-nmr-correlations
#19
Zebin Huang, Quanshuai Guan, Zhong Chen, Lucio Frydman, Yulan Lin
Nuclear magnetic resonance (NMR) spectroscopy has long served as an irreplaceable, versatile tool in physics, chemistry, biology, and materials sciences, owing to its ability to study molecular structure and dynamics in detail. In particular, the connectivity of chemical sites within molecules, and thereby molecular structure, becomes visible by multi-dimensional NMR. Homonuclear correlation experiments are a powerful tool for identifying coupled spins. Generally, diagonal peaks in these correlation spectra display the strongest intensities and do not offer any new information beyond the standard one-dimensional spectrum, whereas weaker, symmetrically placed cross peaks contain most of the coupling information...
July 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28733452/chronic-hypertension-increases-aortic-endothelial-hydraulic-conductivity-by-upregulating-endothelial-aquaporin-1-expres-sion
#20
Jimmy Deon Toussaint, Chirag Bharavi Raval, Tieuvi Nguyen, Hadi Fadaifard, Shripad Joshi, George Wolberg, Steven Quarfordt, Kung-Ming Jan, David S Rumschitzki
Numerous studies examine aquaporins' role in osmotic water transport in various systems but virtually none focus on aquaporins' role in hydrostatically-driven water transport involving mammalian cells save for our laboratory's recent study of aortic endothelial cells. Here we inves-tigate aquaporin-1 expression and function in the aortic endothelium in two high-renin rat mod-els of hypertension, the spontaneously hypertensive genetically altered Wystar-Kyoto rat variant and Sprague-Dawley rats made hypertensive by two kidney, one clip Goldblatt surgery...
July 21, 2017: American Journal of Physiology. Heart and Circulatory Physiology
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