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Meijun Song, Hongcheng Wu, Shibo Wu, Ting Ge, Guoan Wang, Yingyan Zhou, Shimo Sheng, Jingbo Jiang
Lung cancer is the leading cause of cancer death worldwide and its clinical management remains challenge. Here, we repurposed antibiotic levofloxacin for lung cancer treatment. We show that levofloxacin is effectively against a panel of lung cancer cell lines via inhibiting proliferation and inducing apoptosis, regardless of cellular origin and genetic pattern, in in vitro cell culture system and in vivo xenograft lung tumor model. Mechanistically, levofloxacin inhibits activities of mitochondrial electron transport chain complex I and III, leading to inhibition of mitochondrial respiration and reduction of ATP production...
October 22, 2016: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
Yamou Wu, Chengyong Gu, Xiaochen Huang
This present study was aimed to investigate the molecular mechanisms involved in sevoflurane protection of hepatic ischemia-reperfusion (I/R) injury. Firstly, we investigated the protective effects of sevoflurane against hepatic I/R injury. Biochemical analysis results showed that sevoflurane preconditioning significantly protected against hepatic I/R injury by reducing liver enzymes and improving antioxidant defense markers. We also found that sevoflurane attenuates I/R-induced hepatic cell death, by TUNEL staining, DNA fragmentation ELISA and PARP activity determination...
October 22, 2016: Biomedicine & Pharmacotherapy, Biomédecine & Pharmacothérapie
Essam Hammam, Jalal Basahi, Iqbal Ismail, Ibrahim Hassan, Talal Almeelbi
The excited state hydrogen bonding dynamics of BBVN in hydrogen donating methanol solvent was explored at the TD-BMK/cc-pVDZ level of theory with accounting for the bulk environment effects at the polarizable continuum model (PCM). The heteroatoms of the BBVN laser dye form hydrogen bonds with four methanol molecules. In the formed BBVN-(MeOH)4 complex, the A-type hydrogen bond (N…HO), of an average strength of 25kJmol(-1), is twofold stronger than the B-type (O…HO) one. Upon photon absorption, the total HB binding energy increases from 78...
October 17, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Laura Hermosilla, Marcos Caroli Rezende, Vanderlei Gageiro Machado, Rafaela I Stock
The cationic halochromism and thermohalochromism of four phenolate dyes conjugated with aryl moieties substituted with one or two nitro groups were investigated in the presence of organic (tetra-n-butylammonium bromide and benzyltriethylammonium chloride) and inorganic (sodium perchlorate) salts, in hydrogen-bond donating (water, 1-propanol, 1-butanol and 2-propanol) and hydrogen-bond accepting (acetonitrile and dimethylsulfoxide) solvents. Although a positive halochromic response was observed in water for tetraalkylammonium salts, their thermohalochromic behavior was negligible...
October 17, 2016: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Bruno Fabre, Gaozeng Li, Francis Gouttefangeas, Loic Joanny, Gabriel Loget
The electroless deposition of Pt nanoparticles (NPs) on hydrogen-terminated silicon (H-Si) surfaces is studied as a function of temperature and the immersion time. It is demonstrated that isolated Pt structures can be produced at all investigated temperatures (between 22 and 75°C) for short deposition times, typically within 1-10 min if the temperature was 45°C or less than 5 min at 75°C. For longer times, dendritic metal structures start to grow leading ultimately to highly rough interconnected Pt networks...
October 25, 2016: Langmuir: the ACS Journal of Surfaces and Colloids
S Cacanyiova, A Berenyiova, F Kristek, M Drobna, K Ondrias, M Grman
The aorta plays an important role in blood pressure control so the early determination of its vasoactive properties could predict pathological changes in hypertension. The aim of study was to compare vasoactive properties and geometry of thoracic aorta (TA) and the participation of two vasoactive transmitters, nitric oxide (NO) and hydrogen sulphide (H2S), in TA tone regulation in young Wistar rats (WR) and spontaneously hypertensive rats (SHR). Four-weeks-old WR and SHR were used. Systolic blood pressure (sBP) was measured by plethysmography...
August 2016: Journal of Physiology and Pharmacology: An Official Journal of the Polish Physiological Society
Inji Shin, Suckchang Hong, Michael J Krische
Diverse hydrogen-mediated C-C couplings enable construction of the actin-binding marine polyketide swinholide A in only 15 steps (longest linear sequence), roughly half the steps required in two prior total syntheses. The redox-economy, chemo- and stereoselectivity embodied by this new class of C-C couplings are shown to evoke a step-change in efficiency.
October 25, 2016: Journal of the American Chemical Society
Stefano Nuzzo, Brendan Twamley, James A Platts, Robert J Baker
The crystal structure of [Ph4P][NCS]·HNCS is reported. This is the first structural determination of isothiocyanic acid and hydrogen bonding between the NCS anion and HNCS fragment explored using computational chemistry.
October 25, 2016: Chemical Communications: Chem Comm
Zhi Zhu, Nan Sheng, Haiping Fang, Rongzheng Wan
Thermal noise is of fundamental importance to many processes. Traditionally, thermal noise has been treated as white noise on the macroscopic scale. Using molecular dynamics simulations and power spectrum analysis, we show that the thermal noise of solute molecules in water is non-white on the molecular scale, which is in contrast to the conventional theory. In the frequency domain from 2 × 10(11) Hz to 10(13) Hz, the power spectrum of thermal noise for polar solute molecules resembles the spectrum of 1/f noise...
October 25, 2016: Physical Chemistry Chemical Physics: PCCP
Jang Hoon Kim, Ju-Yeon Yoon, Seo Young Yang, Seung-Kook Choi, Sun Jung Kwon, In Sook Cho, Min Hee Jeong, Young Ho Kim, Gug Seoun Choi
A new compound, 9-dihydroxyl-2'-O-(Z)-cinnamoyl-7-methoxy-aloesin (1), and eight known compounds (2-9) were isolated from Aloe vera. Their structures were elucidated using 1D/2D nuclear magnetic resonance and mass spectra. Compound 9 exhibited reversible competitive inhibitory activity against the enzyme tyrosinase, with an IC50 value of 9.8 ± 0.9 µM. A molecular simulation revealed that compound 9 interacts via hydrogen bonding with residues His244, Thr261, and Val283 of tyrosinase. Additionally, compounds 3 and 7 were shown by half-leaf assays to exhibit inhibitory activity towards Pepper mild mottle virus...
October 25, 2016: Journal of Enzyme Inhibition and Medicinal Chemistry
Kenta Morita, Serika Miyazaki, Chiya Numako, Shinya Ikeno, Ryohei Sasaki, Yuya Nishimura, Chiaki Ogino, Akihiko Kondo
An induction of polyacrylic acid-modified titanium dioxide with hydrogen peroxide nanoparticles (PAA-TiO2/H2O2 NPs) to a tumor exerted a therapeutic enhancement of X-ray irradiation in our previous study. To understand the mechanism of the radiosensitizing effect of PAA-TiO2/H2O2 NPs, analytical observations that included DLS, FE-SEM, FT-IR, XAFS, and Raman spectrometry were performed. In addition, highly reactive oxygen species (hROS) which PAA-TiO2/H2O2 NPs produced with X-ray irradiation were quantified by using a chemiluminescence method and a EPR spin-trapping method...
October 25, 2016: Free Radical Research
Zhe Zeng, Mohammednoor Altarawneh, Ibukun Oluwoye, Peter Glarborg, Bogdan Z Dlugogorski
This study resolves the interaction of sulfanyl radical (SH) with aliphatic (C1-C4) hydrocarbons, using CBS-QB3 based calculations. We obtained the C-H dissociation enthalpies and located the weakest link in each hydrocarbon. Subsequent computations revealed that, H abstraction by SH from the weakest C‒H sites in alkenes and alkynes, except for ethylene, appears noticeably exothermic. Furthermore, abstraction of H from propene, 1-butene and iso-butene displays pronounced spontaneity (i.e., ΔrG° < -20 kJ mol-1 between 300 - 1200 K) due to the relatively weak allylic hydrogen bond...
October 25, 2016: Journal of Physical Chemistry. A
Mohammad Goli, Shant Shahbazian
Recently, it has been demonstrated that the domain-averaged exchange-correlation energies, V(xc) , are capable of tracing the covalent character of atom-atom interactions unequivocally and thus pave the way for detailed bonding analysis within the context of the quantum theory of atoms in molecules (QTAIM) [M. García-Revilla, E. Francisco, P. L. Popelier, A. Martín Pendás, ChemPhysChem 2013, 14, 1211-1218]. Herein, the concept of V(xc) is extended within the context of the newly developed multicomponent QTAIM (MC-QTAIM)...
October 25, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
Aneta M Białkowska
2,3-Butanediol (2,3-BD) is a promising bulk chemical with a potentially wide range of applications e.g., in the manufacture of printing inks, perfumes, synthetic rubber, fumigants, antifreeze agents, fuel additives, foodstuffs and pharmaceuticals. Its high heating value and ability to increase the octane number of fuels make 2,3-BD a promising drop-in fuel. It can also be converted to methyl-ethyl ketone (MEK), which is considered an effective liquid fuel additive. After combination with MEK and hydrogenation reaction, 2,3-BD can be converted to octane, which is used to produce high-quality aviation fuel...
December 2016: World Journal of Microbiology & Biotechnology
Zhuping Jin, Yanxi Pei
No abstract text is available yet for this article.
October 21, 2016: Science China. Life Sciences
Bose Karthikeyan, Lakshminarasimhan Harini, Vaithilingam Krishnakumar, Velu Rajesh Kannan, Krishnan Sundar, Thandavarayan Kathiresan
Endoplasmic reticulum (ER) stress-mediated apoptosis is a well-known factor in the pathogenesis of age-related macular degeneration (AMD). ER stress leads to accumulation of misfolded proteins, which in turn activates unfolded protein response (UPR) of the cell for its survival. The prolonged UPR of ER stress promotes cell death; however, the transition between adaptation and ER stress-induced apoptosis has not been clearly understood. Hence, the present study investigates the regulatory effect of (-)-epigallocatechin gallate (EGCG) on ER stress-induced by hydrogen peroxide (H2O2) and disturbance of calcium homeostasis by thapsigargin (TG) in mouse retinal pigment epithelial (MRPE) cells...
October 24, 2016: Apoptosis: An International Journal on Programmed Cell Death
Lu Gao, Tian-Wen Wu, Xin Ni
Nitric oxide, carbon monoxide and hydrogen sulfide synthesized endogenously in living organisms produce an array of disparate biological effects, so as to be considered as gas transmitters. These three gaseous molecules play important roles in many physiological and pathological processes in the bodies, such as the regulation of vascular tone and inflammatory responses as well as reproductive function. This review mainly focuses on the distribution and biological functions of these three gas transmitters in female reproductive tissues...
October 25, 2016: Sheng Li Xue Bao: [Acta Physiologica Sinica]
Hang Zheng, Hong-Yan Zhu, Xiao-Yu Zhang, Meng Wang, Ying Xiao, Guang-Yin Xu, Xing-Hong Jiang
Hydrogen sulfide (H2S) contributes to visceral hyperalgesia in primary sensory neurons, but its role in central nervous system remains largely unknown. This study was to investigate the roles and underlying mechanisms of H2S and its endogenous synthesis enzymes in the arcuate nucleus (ARC) in rat pancreatic hyperalgesia. Chronic pancreatitis (CP) was induced in male adult Sprague-Dawley rats by intra-pancreatic ductal injection of trinitrobenzene sulfonic acid (TNBS). Abdominal hyperalgesia was assessed by referred somatic behaviors to mechanical stimulation of rat abdomen...
October 25, 2016: Sheng Li Xue Bao: [Acta Physiologica Sinica]
Mariete B Moreira, Camila F N Da Silva, Rafaela B P Pesci, Victor M Deflon, Sofia Nikolaou
We synthesized and characterized a series of oxo-centered carbonyl-triruthenium complexes with the general formula [Ru3O(CH3COO)6(L)2(CO)], where L = 2,6-dimethylpyrazine (dmpz) (1), isonicotinamide (adpy) (2), 4-acetylpyridine (acpy) (3), 3-methylpyridine (3-pic) (4), 4-methylpyridine (4-pic) (5), 4-tert-butylpyridine (4-tbpy) (6), 4-(dimethyl)aminopyridine (dmap) (7), or 4-aminopyridine (ampy) (8); we also investigated the photoreactivity of these complexes. Single-crystal X-ray diffraction helped to elucidate the structures of 1·H2O, 7·C2H4Cl2, and 8...
October 25, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
Garold Murdachaew, Gilbert M Nathanson, R Benny Gerber, Lauri Halonen
Deprotonation of organic acids at aqueous surfaces has important implications in atmospheric chemistry and other disciplines, yet it is not well-characterized or understood. This article explores the interactions of formic acid (FA), including ionization, in collisions at the air-water interface. Ab initio molecular dynamics simulations with dispersion-corrected density functional theory were used. The 8-50 picosecond duration trajectories all resulted in the adsorption of FA within the interfacial region, with no scattering, absorption into the bulk or desorption into the vapor...
October 25, 2016: Physical Chemistry Chemical Physics: PCCP
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