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https://www.readbyqxmd.com/read/28087442/hydrogen-sulfide-protects-against-endoplasmic-reticulum-stress-and-mitochondrial-injury-in-nucleus-pulposus-cells-and-ameliorates-intervertebral-disc-degeneration
#1
Daoliang Xu, Haiming Jin, Jianxia Wen, Jiaoxiang Chen, Deheng Chen, Ningyu Cai, Yongli Wang, Jianle Wang, Yu Chen, Xiaolei Zhang, Xiangyang Wang
It has been suggested that excessive apoptosis in intervertebral disc cells induced by inflammatory cytokines, such as interleukin (IL)-1β, is related to the process of intervertebral disc degeneration (IVDD). Hydrogen sulfide (H2S), a gaseous signaling molecule, has drawn attention for its anti-apoptosis role in various pathophysiological processes in degenerative diseases. To date, there has been no investigation of the correlation of H2S production and IVDD or of the effects of H2S on IL-1β-induced apoptosis in nucleus pulposus (NP) cells...
January 10, 2017: Pharmacological Research: the Official Journal of the Italian Pharmacological Society
https://www.readbyqxmd.com/read/28081252/corn-soy-blend-fortified-with-phosphorus-to-prevent-refeeding-hypophosphatemia-in-undernourished-piglets
#2
Anne-Louise Hother, Mikkel Lykke, Torben Martinussen, Hanne Damgaard Poulsen, Christian Mølgaard, Per Torp Sangild, André Briend, Christian Fink Hansen, Henrik Friis, Kim F Michaelsen, Thomas Thymann
BACKGROUND: Phosphorus (P) levels in refeeding diets are very important as undernourished children are at risk of hypophosphatemia during refeeding. For this reason, conventional corn-soy-blends (CSB) have been reformulated by the World Food Programme to obtain a mono-calcium-phosphate fortified product (CSB+) and a product further fortified with skim milk powder (CBS++). METHODS: Using a piglet model of undernourished children, we hypothesized that feeding of CSB+, CSB++ or CSB+ with added whey permeate (CSB+/wp) would help to prevent refeeding hypophosphatemia...
2017: PloS One
https://www.readbyqxmd.com/read/28080051/prediction-of-bond-dissociation-energies-heat-of-formation-for-diatomic-transition-metal-compounds-ccsd-t-works
#3
Zongtang Fang, Monica Vasiliu, Kirk A Peterson, David A Dixon
It was recently reported (J. Chem. Theory Comput. 2015, 11, 2036-2052) that the coupled cluster singles and doubles with perturbative triples method, CCSD(T), should not be used as a benchmark tool for the prediction of dissociation energies (heats of formation) for the 1st row transition metal diatomics based on a comparison with the experimental thermodynamic values for a set of 20 diatomics. In the present work the bond dissociation energies as well as the heats of formation for those diatomics have been calculated by the Feller-Peterson-Dixon approach at the CCSD(T)/complete basis set (CBS) level of theory including scalar relativistic corrections and correlation of the outer shell of core electrons in addition to the valence electrons...
January 12, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28076787/impdh2-is-an-intracellular-target-of-the-cyclophilin-a-and-sanglifehrin-a-complex
#4
Khian Hong Pua, Dylan T Stiles, Mathew E Sowa, Gregory L Verdine
Natural products have demonstrated utility in the clinic and can also act as probes to understand complex cellular pathways. Sanglifehrin A (SFA) is a mixed polyketide and non-ribosomal peptide synthase natural product with sub-nano-molar affinity for its receptor cyclophilin A (PPIA). It has been shown to behave in vitro as an immune suppressant. Here, we identify inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) as an intracellular target of the PPIA-SFA binary complex. The formation of this ternary complex does not inhibit the enzymatic activity of IMPDH2...
January 10, 2017: Cell Reports
https://www.readbyqxmd.com/read/28075604/high-level-ab-initio-predictions-for-the-ionization-energies-bond-dissociation-energies-and-heats-of-formation-of-titanium-oxides-and-their-cations-tion-tion-n-1-and-2
#5
Yi Pan, Zhihong Luo, Yih-Chung Chang, Kai-Chung Lau, C Y Ng
The ionization energies (IEs) of TiO and TiO2 and the 0 K bond dissociation energies (D0) and the heats of formation at 0 K (ΔH°f0) and 298 K (ΔH°f298) for TiO/TiO(+) and TiO2/TiO2(+) are predicted by the wave-function-based CCSDTQ/CBS approach. The CCSDTQ/CBS calculations involve the approximation to the complete basis set (CBS) limit at the coupled cluster level up to full quadruple excitations along with the zero-point vibrational energy (ZPVE), high-order correlation (HOC), core-valence (CV) electronic, spin-orbit (SO) coupling, and scalar relativistic (SR) effect corrections...
January 11, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28075397/the-sulfur-metabolite-lanthionine-evidence-for-a-role-as-a-novel-uremic-toxin
#6
REVIEW
Alessandra F Perna, Miriam Zacchia, Francesco Trepiccione, Diego Ingrosso
Lanthionine is a nonproteinogenic amino acid, composed of two alanine residues that are crosslinked on their β-carbon atoms by a thioether linkage. It is biosynthesized from the condensation of two cysteine molecules, while the related compound homolanthionine is formed from the condensation of two homocysteine molecules. The reactions can be carried out by either cystathionine-β-synthase (CBS) or cystathionine-γ-lyase (CSE) independently, in the alternate reactions of the transsulfuration pathway devoted to hydrogen sulfide biosynthesis...
January 10, 2017: Toxins
https://www.readbyqxmd.com/read/28070927/lead-sulfide-selenide-quantum-dots-and-gold-copper-alloy-nanoparticles-augment-light-harvesting-of-solar-cells
#7
Aparajita Das, Melepurath Deepa, Partha Ghosal
Lead-sulfide-selenide (PbSSe) quantum dots (QDs) and gold-copper (AuCu) alloy nanoparticles (NPs) are incorporated in a cadmium sulfide (CdS)/titanium oxide (TiO2) photoanode for the first time for enhanced conversion of solar energy to electricity. PbSSe QDs with a band gap of 1.02 eV, extend the light harvesting range of the photoanode from visible to the near infrared region. The conduction band (CB) edge of PbSSe QDs is wedged between the CBs of TiO2 and CdS; this additional level coupled with a good electrical conductivity of the dots facilitate charge transport and collection, for a high power conversion efficiency (PCE) of 4...
January 10, 2017: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/28068770/comparison-of-explicitly-correlated-methods-for-computing-high-accuracy-benchmark-energies-for-noncovalent-interactions
#8
Dominic A Sirianni, Lori A Burns, C David Sherrill
The reliability of explicitly correlated methods for providing benchmark-quality noncovalent interaction energies was tested at various levels of theory and compared to estimates of the complete basis set (CBS) limit. For all systems of the A24 test set, computations were performed using both aug-cc-pVXZ (aXZ; X = D, T, Q, 5) basis sets and specialized cc-pVXZ-F12 (XZ-F12; X = D, T, Q, 5) basis sets paired with explicitly correlated coupled cluster singles and doubles [CCSD-F12n (n = a, b, c)] with triple excitations treated by the canonical perturbative method and scaled to compensate for their lack of explicit correlation [(T**)]...
January 10, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28067517/temperature-dependent-rate-coefficients-for-the-reaction-of-ch2oo-with-hydrogen-sulfide
#9
Mica C Smith, Wen Chao, Manoj Kumar, Joseph S Francisco, Kaito Takahashi, Jim Jr-Min Lin
The reaction of the simplest Criegee intermediate CH2OO with hydrogen sulfide was measured with transient UV absorption spectroscopy in a temperature-controlled flow reactor, and bimolecular rate coefficients were obtained from 278 to 318 K and from 100 to 500 Torr. The average rate coefficient at 298 K and 100 Torr was (1.7±0.2)×10(-13) cm(3) s(-1). The reaction was found to be independent of pressure and exhibited a weak negative temperature dependence. Ab initio quantum chemistry calculations of the temperature-dependent reaction rate coefficient at the QCISD(T)/CBS level are in reasonable agreement with the experiment...
January 9, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28058433/theoretical-investigation-of-gas-phase-molecular-complex-formation-between-2-hydroxy-thiophenol-and-a-water-molecule
#10
Debojit Kumar Deb, Biplab Sarkar
The torsional potential of OH and SH rotations in 2-hydroxy thiophenol is systematically studied using the MP2 ab initio method. The outcome of state-of-the-art calculations is used in the investigation of the structures and conformational preferences of 2-hydroxy thiophenol and aims at further interaction studies with a gas phase water molecule. SCS-MP2 and CCSD(T) complete basis set (CBS) limit interaction energies for these complexes are presented. The SCS-MP2/CBS limit is achieved using various two-point extrapolation methods with aug-cc-pVDZ and aug-cc-pVTZ basis sets...
January 6, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28056767/bacterial-whole-genome-based-phylogeny-construction-of-a-new-benchmarking-dataset-and-assessment-of-some-existing-methods
#11
Johanne Ahrenfeldt, Carina Skaarup, Henrik Hasman, Anders Gorm Pedersen, Frank Møller Aarestrup, Ole Lund
BACKGROUND: Whole genome sequencing (WGS) is increasingly used in diagnostics and surveillance of infectious diseases. A major application for WGS is to use the data for identifying outbreak clusters, and there is therefore a need for methods that can accurately and efficiently infer phylogenies from sequencing reads. In the present study we describe a new dataset that we have created for the purpose of benchmarking such WGS-based methods for epidemiological data, and also present an analysis where we use the data to compare the performance of some current methods...
January 5, 2017: BMC Genomics
https://www.readbyqxmd.com/read/28056282/-diagnostic-value-of-clot-burden-score-of-susceptibility-vessel-sign-in-arterial-thrombosis-of-acute-ischemic-stroke-and-its-association-with-prognosis
#12
Y Huang, W L Mei, H Q Liu, Y L Li, Z Z Chen, D D Li, J W Zhang
Objective: To analysis the value of susceptibility vessel sign (SVS) in susceptibility weighted imaging (SWI) in detecting thrombogenesis in middle cerebral artery (MCA) and its association with clinical prognosis. Methods: From December 2014 to December 2015 in People's Hospital of Zhengzhou University, we retrospectively examined clinical, imaging and experimental datafrom 104 consecutive patients with acute ischemic strokeand compared the consistency of detecting thrombus between SWI and magnetic resonance angiography (MRA) using Kappa analysis...
January 3, 2017: Zhonghua Yi Xue za Zhi [Chinese medical journal]
https://www.readbyqxmd.com/read/28056041/a-model-for-the-stop-planning-and-timetables-of-customized-buses
#13
Jihui Ma, Yanqing Zhao, Yang Yang, Tao Liu, Wei Guan, Jiao Wang, Cuiying Song
Customized buses (CBs) are a new mode of public transportation and an important part of diversified public transportation, providing advanced, attractive and user-led service. The operational activity of a CB is planned by aggregating space-time demand and similar passenger travel demands. Based on an analysis of domestic and international research and the current development of CBs in China and considering passenger travel data, this paper studies the problems associated with the operation of CBs, such as stop selection, line planning and timetables, and establishes a model for the stop planning and timetables of CBs...
2017: PloS One
https://www.readbyqxmd.com/read/28052117/trim32-cytoplasmic-body-formation-is-an-atp-consuming-process-stimulated-by-hsp70-in-cells
#14
Yuki Kawaguchi, Masato Taoka, Takahiro Takekiyo, Takamasa Uekita, Ikuo Shoji, Naomi Hachiya, Tohru Ichimura
The spontaneous and energy-releasing reaction of protein aggregation is typically prevented by cellular quality control machinery (QC). TRIM32 is a member of the TRIM (tripartite motif-containing) ubiquitin E3 ligases, and when overexpressed in cultured cells, readily forms spherical inclusions designated as cytoplasmic bodies (CBs) even without proteasome inhibition. Here, we show that HSP70, a central QC component, is a primary binding factor of overexpressed TRIM32. Contrary to expectation, however, we find that this molecular chaperone facilitates and stabilizes CB assembly depending on intrinsic ATPase activity, rather than preventing CB formation...
2017: PloS One
https://www.readbyqxmd.com/read/28051338/activity-dependent-sulfhydration-signal-controls-nmdar-dependent-synaptic-plasticity-via-increasing-d-serine-availability
#15
Yuan-Long Li, Pei-Fei Wu, Jian-Guo Chen, Sheng Wang, Qian-Qian Han, Dan Li, Wen Wang, Xin-Lei Guan, Di Li, Li-Hong Long, Jian-Geng Huang, Fang Wang
AIMS: Reactive sulfur species (RSS) including hydrogen sulfide (H2S) and its oxydates have been raised as novel redox signaling molecules. The present study aimed at examining whether endogenous sulfhydration signal are required for long-term potentiation (LTP), a cellular model for memory. RESULTS: Here, we found that increased synaptic activity triggered sulfide generationand protein sulfhydration. Activity-triggered sulfide production was essential for N-methyl-D-aspartate subtype glutamate receptors (NMDARs)-dependent LTP via maintaining the availability of D-serine, a primary co-agonist for synaptic NMDARs...
January 4, 2017: Antioxidants & Redox Signaling
https://www.readbyqxmd.com/read/28050055/dna-barcoding-analysis-of-more-than-9%C3%A2-000-yeast-isolates-contributes-to-quantitative-thresholds-for-yeast-species-and-genera-delimitation
#16
D Vu, M Groenewald, S Szöke, G Cardinali, U Eberhardt, B Stielow, M de Vries, G J M Verkleij, P W Crous, T Boekhout, V Robert
DNA barcoding is a global initiative for species identification through sequencing of short DNA sequence markers. Sequences of two loci, ITS and LSU, were generated as barcode data for all (ca. 9k) yeast strains included in the CBS collection, originally assigned to ca. 2 000 species. Taxonomic sequence validation turned out to be the most severe bottleneck due to the large volume of generated trace files and lack of reference sequences. We have analysed and validated CBS strains and barcode sequences automatically...
September 2016: Studies in Mycology
https://www.readbyqxmd.com/read/28049024/1-4-naphthoquinone-activates-the-hsp90-hsf1-pathway-through-the-s-arylation-of-hsp90-in-a431-cells-negative-regulation-of-the-redox-signal-transduction-pathway-by-persulfides-polysulfides
#17
Yumi Abiko, Liang Sha, Yasuhiro Shinkai, Takamitsu Unoki, Nho Cong Luong, Yukihiro Tsuchiya, Yasuo Watanabe, Reiko Hirose, Takaaki Akaike, Yoshito Kumagai
The current consensus is that environmental electrophiles activate redox signal transduction pathways through covalent modification of sensor proteins with reactive thiol groups at low concentrations, while they cause cell damage at higher concentrations. We previously exposed human carcinoma A431 cells to the atmospheric electrophile 1,4-naphthoquinone (1,4-NQ) and found that heat shock protein 90 (HSP90), a negative regulator of heat shock factor 1 (HSF1), was a target of 1,4-NQ. In the study presented here, we determined whether 1,4-NQ activates HSF1...
December 31, 2016: Free Radical Biology & Medicine
https://www.readbyqxmd.com/read/28040900/theoretical-study-on-reaction-pathways-leading-to-co-and-co2-in-the-pyrolysis-of-resorcinol
#18
Yuki Furutani, Shinji Kudo, Jun-Ichiro Hayashi, Koyo Norinaga
Possible pathways for the pyrolysis of resorcinol with the formation of CO and CO2 as final products were proposed and evaluated using ab initio calculations. Our experimental study revealed that large quantities of CO2 is generated in the pyrolysis of 1,3-dihydroxybenzene (resorcinol) while the pyrolysis of the dihydroxybenzene isomers 1,2-dihydroxybenzene (catechol) and 1,4-dihydroxybenzene (hydroquinone) produces little CO2. The fate of oxygen atoms in catechol and hydroquinone was essentially the formation of CO...
January 1, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28038770/examination-of-cytological-smears-and-cell-blocks-of-pleural-fluid-complementary-diagnostic-value-for-malignant-effusions
#19
J M Porcel, M Quirós, S Gatius, S Bielsa
OBJECTIVES: To evaluate the independent usefulness of pleural fluid smear and cell block (CB) preparations for the diagnosis of malignant effusions. PATIENTS AND METHODS: A total of 632 cytological smears and 554 CBs from 414 consecutive patients with malignant effusions were retrospectively evaluated. RESULTS: The diagnostic yield of a first specimen was 44% regardless of whether a smear or CB cytologic examination was performed. The use of subsequent separated specimens increased the identification of malignancy to 56%...
December 27, 2016: Revista Clínica Española
https://www.readbyqxmd.com/read/28007957/molecular-portrait-of-metastasis-competent-circulating-tumor-cells-in-colon-cancer-reveals-the-crucial-role-of-genes-regulating-energy-metabolism-and-dna-repair
#20
Catherine Alix-Panabières, Laure Cayrefourcq, Thibault Mazard, Thierry Maudelonde, Eric Assenat, Said Assou
BACKGROUND: Unraveling the molecular mechanisms that regulate the biology of metastasis-competent circulating tumor cells (CTCs) is urgently needed to understand metastasis formation and tumor relapse. Our group previously established the first cell line (CTC-MCC-41) derived from metastasis-competent CTCs of a patient with colon cancer. METHODS: In this study, we analyzed the transcriptome of CTC-MCC-41 cells using Human Genome U133 Plus 2.0 microarrays with the aim of unraveling the molecular basis of their special features (stem cell properties and ability to initiate and support metastasis formation)...
December 22, 2016: Clinical Chemistry
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