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https://www.readbyqxmd.com/read/29150945/development-of-an-in-vivo-mouse-model-of-discogenic-low-back-pain
#1
Changgui Shi, Vaskar Das, Xin Li, Ranjan Kc, Sujun Qiu, InSug O-Sullivan, Richard L Ripper, Jeffrey S Kroin, Fackson Mwale, Atiyayein A Wallace, Bingqian Zhu, Lan Zhao, Andre J van Wijnen, Mingliang Ji, Jun Lu, Gina Votta-Velis, Wen Yuan, Hee-Jeong Im
Discogenic Low back pain (DLBP) is extremely common and costly. Effective treatments are lacking due to DLBP's unknown pathogenesis. Currently, there are no in vivo mouse models of DLBP, which restricts research in this field. The aim of this study was to establish a reliable DLBP model in mouse that captures the pathological changes in the disc and allows longitudinal pain testing. The model was generated by puncturing the mouse lumbar discs (L4/5, L5/6, and L6/S1) and removing the nucleus pulposus using a microscalpel under the microscope...
November 18, 2017: Journal of Cellular Physiology
https://www.readbyqxmd.com/read/29150629/statistically-strong-label-free-quantitative-identification-of-native-fluorophores-in-a-biological-sample
#2
Saabah B Mahbub, Martin Plöschner, Martin E Gosnell, Ayad G Anwer, Ewa M Goldys
Bioimaging using endogenous cell fluorescence, without any external biomarkers makes it possible to explore cells and tissues in their original native state, also in vivo. In order to be informative, this label-free method requires careful multispectral or hyperspectral recording of autofluorescence images followed by unsupervised extraction (unmixing) of biochemical signatures. The unmixing is difficult due to the scarcity of biochemically pure regions in cells and also because autofluorescence is weak compared with signals from labelled cells, typically leading to low signal to noise ratio...
November 17, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29150497/low-molecular-weight-thiols-and-thioredoxins-are-important-players-in-hg-ii-resistance-in-thermus-thermophilus-hb27
#3
J Norambuena, Y Wang, T Hanson, J M Boyd, T Barkay
Mercury (Hg), one of the most toxic and widely distributed heavy metals, has a high affinity for thiol groups. Thiol groups reduce and sequester Hg. Therefore, low molecular weight and protein thiols may be important cell components used in Hg resistance. To date, the role of low molecular weight thiols in Hg-detoxification remains understudied. The mercury resistance (mer) operon of Thermus thermophilus suggests an evolutionary link between Hg(II) resistance and low molecular weight thiol metabolism. This mer operon encodes for an enzyme involved in methionine biosynthesis, Oah...
November 17, 2017: Applied and Environmental Microbiology
https://www.readbyqxmd.com/read/29150495/small-dense-high-density-lipoproteins-display-potent-vasorelaxing-activity-reflecting-their-elevated-content-of-sphingosine-1-phosphate
#4
Laurence Persegol, Maryam Darabi, Carolane Dauteuille, Marie Lhomme, Sandrine Chantepie, Kerry-Anne Rye, Patrice Therond, M John Chapman, Robert Salvayre, Anne Negre-Salvayre, Philippe Lesnik, Serge Monier, Anatol Kontush
AIMS: Functional heterogeneity of HDL is attributed to its diverse bioactive components. We evaluated whether vasodilatory effects of HDL differed across HDL subpopulations, reflecting their distinct molecular composition. METHODS: Capacity of five major HDL subfractions to counteract inhibitory effects of oxidized low-density lipoprotein on acetylcholine-induced vasodilation was tested in a rabbit aortic rings model. Nitric oxide (NO) production, an essential pathway in endothelium-dependent vasorelaxation, was studied in SV40-transformed murine endothelial cells (SVEC)...
November 17, 2017: Journal of Lipid Research
https://www.readbyqxmd.com/read/29150397/fragment-based-design-synthesis-biological-evaluation-and-sar-of-1h-benzo-d-imidazol-2-yl-1h-indazol-derivatives-as-potent-pdk1-inhibitors
#5
Ting Chen, Venkataswamy Sorna, Susie Choi, Lee Call, Jared Bearss, Kent Carpenter, Steven L Warner, Sunil Sharma, David J Bearss, Hariprasad Vankayalapati
In this work, we describe the use of the rule of 3 fragment-based strategies from biochemical screening data of 1100 in-house, small, low molecular weight fragments. The sequential combination of in silico fragment hopping and fragment linking based on S160/Y161/A162 hinge residues hydrogen bonding interactions leads to the identification of novel 1H-benzo[d]imidazol-2-yl)-1H-indazol class of Phosphoinositide-Dependent Kinase-1 (PDK1) inhibitors. Consequent SAR and follow-up screening data led to the discovery of two potent PDK1 inhibitors: compound 32 and 35, with an IC50 of 80 nM and 94 nM, respectively...
October 28, 2017: Bioorganic & Medicinal Chemistry Letters
https://www.readbyqxmd.com/read/29150086/the-ex-vivo-toll-like-receptor-7-tolerance-induction-in-donor-lymphocytes-prevents-murine-acute-graft-versus-host-disease
#6
Nikolaos Zogas, Garyfalia Karponi, Fotios Iordanidis, Stylianos Malasidis, Vasilios Paraskevas, Anastasia Papadopoulou, Zaharias George Scouras, Achilles Anagnostopoulos, Evangelia Yannaki
BACKGROUND AIMS: Acute graft-versus-host disease (aGVHD) remains a major cause of morbidity and mortality after allogeneic hematopoietic stem cell transplantation, mediated by alloreactive donor T cells. Toll-like receptors (TLRs), a family of conserved pattern-recognition receptors (PRRs), represent key players in donors' T-cell activation during aGVHD; however, a regulatory, tolerogenic role for certain TLRs has been recognized in a different context. We investigated whether the ex vivo-induced TLR-2,-4,-7 tolerance in donor cells could prevent alloreactivity in a mismatched transplantation model...
November 14, 2017: Cytotherapy
https://www.readbyqxmd.com/read/29149993/label-free-determination-of-prostate-specific-membrane-antigen-in-human-whole-blood-at-nanomolar-levels-by-magnetically-assisted-surface-enhanced-raman-spectroscopy
#7
Zuzana Chaloupková, Anna Balzerová, Jitka Bařinková, Zdenka Medříková, Pavel Šácha, Petr Beneš, Václav Ranc, Jan Konvalinka, Radek Zbořil
Prostate cancer is one of the most common cancers among men and can in its later stages cause serious medical problems. Due to the limited suitability of current diagnostic biochemical markers, new biomarkers for the detection of prostate cancer are highly sought after. An ideal biomarker should serve as a reliable prognostic marker, be applicable for early diagnosis, and be applicable for monitoring of therapeutic response. One potential candidate is glutamate carboxypeptidase II (GCPII), also known as prostate specific membrane antigen (PSMA), which has a promising role for direct imaging...
January 2, 2018: Analytica Chimica Acta
https://www.readbyqxmd.com/read/29149726/protein-structure-based-drug-design-from-docking-to-molecular-dynamics
#8
REVIEW
Paweł Śledź, Amedeo Caflisch
Recent years have witnessed rapid developments of computer-aided drug design methods, which have reached accuracy that allows their routine practical applications in drug discovery campaigns. Protein structure-based methods are useful for the prediction of binding modes of small molecules and their relative affinity. The high-throughput docking of up to 10(6) small molecules followed by scoring based on implicit-solvent force field can robustly identify micromolar binders using a rigid protein target. Molecular dynamics with explicit solvent is a low-throughput technique for the characterization of flexible binding sites and accurate evaluation of binding pathways, kinetics, and thermodynamics...
November 14, 2017: Current Opinion in Structural Biology
https://www.readbyqxmd.com/read/29149672/the-application-of-bacteriophages-as-novel-indicators-of-viral-pathogens-in-wastewater-treatment-systems
#9
Edgard Dias, James Ebdon, Huw Taylor
Many wastewater treatment technologies have been shown to remove bacterial pathogens more effectively than viral pathogens and, in aquatic environments, levels of traditional faecal indicator bacteria (FIB) do not appear to correlate consistently with levels of human viral pathogens. There is, therefore, a need for novel viral indicators of faecal pollution and surrogates of viral pathogens, especially given the increasing importance of indirect and direct wastewater reuse. Potential candidates include bacteriophages (phages) and the study described here sought to elucidate the relationship between three groups of phages (somatic coliphages (SOMPH), F-RNA coliphages (F-RNAPH) and human-specific phages infecting B...
November 9, 2017: Water Research
https://www.readbyqxmd.com/read/29149569/blue-thermally-activated-delayed-fluorescence-polymers-with-nonconjugated-backbone-and-through-space-charge-transfer-effect
#10
Shiyang Shao, Jun Hu, Xingdong Wang, Lixiang Wang, Xiabin Jing, Fosong Wang
We demonstrate a novel molecular design concept for thermally activated delayed fluorescence (TADF) polymers based on a nonconjugated polyethylene backbone with through-space charge transfer effect between pendant electron donor (D) and electron acceptor (A) units. Different from conventional conjugated D-A polymers with through-bond charge transfer effect, the nonconjugated architecture avoids the direct conjugation between D and A units, enabling us to realize blue emission. Meanwhile, the spatial π-π interaction between the physically separated D and A units results in both small singlet-triplet energy splitting (0...
November 17, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29149465/controlled-sol-gel-transitions-of-a-thermoresponsive-polymer-in-a-photoswitchable-azobenzene-ionic-liquid-as-a-molecular-machine
#11
Masayoshi Watanabe, Caihong Wang, Kei Hashimoto, Ryota Tamate, Hisashi Kokubo
Producing ionic liquids (ILs) that function as molecular machines for macroscopic change is a challenging issue. We report that photoisomerization of an azobenzene IL at the molecular level could evoke a macroscopic response (light-controlled mechanical sol-gel transitions) for ABA triblock copolymer solutions. The A endblocks, poly(2-phenylethyl methacrylate), show a low critical solution temperature in the IL mixture containing azobenzene while the B midblock, poly(methyl methacrylate), is compatible with the mixture...
November 17, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/29149426/relationship-between-lat1-expression-and-resistance-to-chemotherapy-in-pancreatic-ductal-adenocarcinoma
#12
Bolag Altan, Kyoichi Kaira, Akira Watanabe, Norio Kubo, Pinjie Bao, Gantumur Dolgormaa, Erkhem-Ochir Bilguun, Kenichiro Araki, Yoshikatsu Kanai, Takehiko Yokobori, Tetsunari Oyama, Masahiko Nishiyama, Hiroyuki Kuwano, Ken Shirabe
PURPOSE: L-type amino acid transporter 1 (LAT1) is linked to tumor cell proliferation, angiogenesis, and survival in various human cancers. Although the expression of LAT1 was identified as a significant prognostic predictor after surgery in patients with pancreatic ductal adenocarcinoma (PDAC), little is known about the clinical significance of LAT1 as a chemotherapeutic resistance factor in PDAC. METHODS: A total of 110 patients with surgically resected PDAC were retrospectively reviewed as the training set...
November 17, 2017: Cancer Chemotherapy and Pharmacology
https://www.readbyqxmd.com/read/29149412/the-translationally-controlled-tumor-protein-and-the-cellular-response-to-ionizing-radiation-induced-dna-damage
#13
Jie Zhang, Grace Shim, Sonia M de Toledo, Edouard I Azzam
The absorption of ionizing radiation by living cells can directly disrupt atomic structures, producing chemical and biological changes. It can also act indirectly through radiolysis of water, thereby generating reactive chemical species that may damage nucleic acids, proteins, and lipids. Together, the direct and indirect effects of radiation initiate a series of biochemical and molecular signaling events that may repair the damage or culminate in permanent physiological changes or cell death. In efforts to gain insight into the mechanisms underlying these effects, we observed a prominent upregulation of the Translationally Controlled Tumor Protein (TCTP) in low dose/low dose rate (137)Cs γ-irradiated cells that was associated with adaptive responses that reduced chromosomal damage to a level lower than what occurs spontaneously...
2017: Results and Problems in Cell Differentiation
https://www.readbyqxmd.com/read/29149270/aniseed-2017-extending-the-integrated-ascidian-database-to-the-exploration-and-evolutionary-comparison-of-genome-scale-datasets
#14
Matija Brozovic, Christelle Dantec, Justine Dardaillon, Delphine Dauga, Emmanuel Faure, Mathieu Gineste, Alexandra Louis, Magali Naville, Kazuhiro R Nitta, Jacques Piette, Wendy Reeves, Céline Scornavacca, Paul Simion, Renaud Vincentelli, Maelle Bellec, Sameh Ben Aicha, Marie Fagotto, Marion Guéroult-Bellone, Maximilian Haeussler, Edwin Jacox, Elijah K Lowe, Mickael Mendez, Alexis Roberge, Alberto Stolfi, Rui Yokomori, C Titus Brown, Christian Cambillau, Lionel Christiaen, Frédéric Delsuc, Emmanuel Douzery, Rémi Dumollard, Takehiro Kusakabe, Kenta Nakai, Hiroki Nishida, Yutaka Satou, Billie Swalla, Michael Veeman, Jean-Nicolas Volff, Patrick Lemaire
ANISEED (www.aniseed.cnrs.fr) is the main model organism database for tunicates, the sister-group of vertebrates. This release gives access to annotated genomes, gene expression patterns, and anatomical descriptions for nine ascidian species. It provides increased integration with external molecular and taxonomy databases, better support for epigenomics datasets, in particular RNA-seq, ChIP-seq and SELEX-seq, and features novel interactive interfaces for existing and novel datatypes. In particular, the cross-species navigation and comparison is enhanced through a novel taxonomy section describing each represented species and through the implementation of interactive phylogenetic gene trees for 60% of tunicate genes...
November 15, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29149067/the-hmgb1-rage-pro-inflammatory-axis-in-the-human-placenta-modulating-effect-of-low-molecular-weight-heparin
#15
Cristian Zenerino, Anna Maria Nuzzo, Domenica Giuffrida, Marilisa Biolcati, Alessandra Zicari, Tullia Todros, Alessandro Rolfo
We evaluated whether physiological and pre-eclamptic (PE) placentae, characterized by exacerbated inflammation, presented alterations in pro-inflammatory High Mobility Group Box 1 (HMGB1) and its Receptor of Advanced Glycation End products (RAGE) expression. Moreover, we investigated, in physiological placental tissue, the ability of Low Molecular Weight Heparin (LMWH) to modify HMGB1 structural conformation thus inhibiting RAGE binding and HMGB1/RAGE axis inflammatory activity. HMGB1, RAGE, IL-6 and TNFα (HMGB1/RAGE targets) mRNA expression were assessed by Real Time PCR...
November 17, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/29148805/near-infrared-quantum-dot-emission-enhanced-by-stabilized-self-assembled-j-aggregate-antennas
#16
Francesca S Freyria, José M Cordero, Justin R Caram, Sandra Doria, Amro Dodin, Yue Chen, Adam P Willard, Moungi G Bawendi
Enhancing photoluminescent emission (PL) in the near-infrared-infrared (NIR-IR) spectral region has broad applications from solar energy conversion to biological imaging. We show that self-assembled molecular dye J-aggregates (light-harvesting nanotubes, LHNs) can increase the PL emission of NIR PbS quantum dots (QDs) in both liquid and solid media more than 8-fold, promoted primarily by a long-range antenna effect and efficient Förster resonance energy transfer (FRET) from donor to acceptor. To create this composite material and preserve the optical properties of the nanocrystals, we performed an in situ ligand substitution followed by a functionalization reaction using click-chemistry...
November 17, 2017: Nano Letters
https://www.readbyqxmd.com/read/29148556/co2-adsorption-on-anatase-tio2-101-surfaces-a-combination-of-uhv-ftirs-and-first-principles-studies
#17
Yunjun Cao, Min Yu, Shandong Qi, Tingting Wang, Shiming Huang, Zhengfeng Ren, Shishen Yan, Shujun Hu, Mingchun Xu
The CO2 adsorption and dynamic behaviors on single crystal anatase TiO2(101) surfaces were investigated by UHV-FTIRS and first-principles calculations. The IRRAS results at 90 K show that the ν3(OCO) asymmetric stretching vibration of adsorbed CO2 exhibits band splitting at rather low CO2 coverage in p-polarized IR spectra for the IR beam incident along the [101[combining macron]] direction. Co-adsorbed CO can prevent such band splitting. Ab initio molecular dynamics (AIMD) simulations revealed that the adsorbed CO2 at finite temperature does not keep a stationary adsorption state but keeps a certain swing motion: one end of the linear CO2 molecule binds to surface Ti5c sites and the other end swings within the (010) plane with a tilted angle distribution ranging from 10° to 60° relative to the [101[combining macron]] direction...
November 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/29148232/disulfiram-combined-with-copper-inhibits-metastasis-and-epithelial-mesenchymal-transition-in-hepatocellular-carcinoma-through-the-nf-%C3%AE%C2%BAb-and-tgf-%C3%AE-pathways
#18
Yi Li, Li-Hui Wang, Hao-Tian Zhang, Ya-Ting Wang, Shuai Liu, Wen-Long Zhou, Xiang-Zhong Yuan, Tian-Yang Li, Chun-Fu Wu, Jing-Yu Yang
Late-stage hepatocellular carcinoma (HCC) usually has a low survival rate because of the high risk of metastases and the lack of an effective cure. Disulfiram (DSF) has copper (Cu)-dependent anticancer properties in vitro and in vivo. The present work aims to explore the anti-metastasis effects and molecular mechanisms of DSF/Cu on HCC cells both in vitro and in vivo. The results showed that DSF inhibited the proliferation, migration and invasion of HCC cells. Cu improved the anti-metastatic activity of DSF, while Cu alone had no effect...
November 17, 2017: Journal of Cellular and Molecular Medicine
https://www.readbyqxmd.com/read/29147775/dft-tddft-computational-study-of-the-structural-electronic-and-optical-properties-of-rhodium-iii-and-iridium-iii-complexes-based-on-tris-picolinate-bidentate-ligands
#19
Houari Brahim, Boumediene Haddad, Sefia Brahim, Abdelkrim Guendouzi
The electronic structures and spectroscopic properties of two complexes [M(pic)3] (M = Ir, Rh) containing picolinate as bidentate ligands have been calculated by means density functional theory (DFT) and time-dependent DFT/TD-DFT using three hybrid functionals B3LYP, PBE0 and mPW1PW91. The PBE0 and mPW1PW91 functionals, which have the same HF exchange fraction (25%), give similar results and do not differ drastically from B3LYP results. Calculated geometric parameters of the complexes are in good agreement with the available experimental data...
November 17, 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/29147604/tap1-down-regulation-elicits-immune-escape-and-poor-prognosis-in-colorectal-cancer
#20
Agnes Ling, Anna Löfgren-Burström, Pär Larsson, Xingru Li, Maria L Wikberg, Åke Öberg, Roger Stenling, Sofia Edin, Richard Palmqvist
The anti-tumor immune response has been shown to be of great prognostic importance in colorectal cancer (CRC) and so has the tumors ability for immune evasion. Our aim of this study was to investigate tumor factors that influence immunity. We used a gene expression array to search for potential mechanisms of tumor immune escape. One candidate gene identified was TAP1, involved in antigen presentation by MHC class I. TAP1 protein expression was evaluated by immunohistochemistry in 436 CRC patients of the Colorectal Cancer in Umeå Study cohort...
2017: Oncoimmunology
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