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https://www.readbyqxmd.com/read/28454022/quantitative-analysis-of-adsorptive-interactions-of-ionic-and-neutral-pharmaceuticals-and-other-chemicals-with-the-surface-of-escherichia-coli-cells-in-aquatic-environment
#1
Chul-Woong Cho, Jeong-Soo Park, Yufeng Zhao, Yeoung-Sang Yun
Since Escherichia coli is ubiquitous in nature and has been applied to biological, chemical, and environmental processes, molecular-level understanding of adsorptive interactions between chemicals and the bacterial surface is of great importance. To characterise the adsorption properties of the surface of E. coli cells in aquatic environment, the binding affinities (log Kd) of calibration compounds were experimentally measured, and then based on the values and numerically well-defined molecular interaction forces, i...
April 25, 2017: Environmental Pollution
https://www.readbyqxmd.com/read/28454005/competitive-sorption-affinity-of-sulfonamides-and-chloramphenicol-antibiotics-toward-functionalized-biochar-for-water-and-wastewater-treatment
#2
Mohammad Boshir Ahmed, John L Zhou, Huu Hao Ngo, Wenshan Guo, Md Abu Hasan Johir, Dalel Belhaj
Competitive sorption of sulfamethazine (SMT), sulfamethoxazole (SMX), sulfathiazole (STZ) and chloramphenicol (CP) toward functionalized biochar (fBC) was highly pH dependent with maximum sorption at pH ∼4.0-4.25. Equilibrium data were well represented by the Langmuir and Freundlich models in the order STZ>SMX>CP>SMT. Kinetics data were slightly better fitted by the pseudo second-order model than pseudo first-order and intra-particle-diffusion models. Maximum sorptive interactions occurred at pH 4...
April 13, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28453983/discovery-and-mechanism-of-action-of-novel-baicalein-modified-derivatives-as-potent-antihepatitis-agent
#3
Ji Ma, Tengfei Li, Xinwei Han, Huifeng Yuan, Haijun Liang, Yanping Wang, Xinwei Wang, Yuxiu Duan, Aihui Li, Huilian Song, Daokun Yang
Anti-hepatitis B virus (HBV) activity was evaluated in HepG2 2.2.15 cells by novel Baicalein derivatives. The result showed that compounds 4k and 4h was found to be effective anti-HBV agent. Further, the effect of compounds 4k and 4h showed dose-dependent inhibition of HBV-DNA as compared to control together with significant inhibition of HbeAG and HbsAG expression in the tested dose. Both compounds showed considerable affinity against the HepG2.2.15 cells. Moreover, the docking study of compound 4k was carried out with HLA molecule showing excellent intermolecular interactions with the receptor via creation of numerous bonds with Ser5, Thr27, Asp29 and Phe8...
April 25, 2017: Virology
https://www.readbyqxmd.com/read/28453954/local-delivery-of-chondroitinase-abc-with-or-without-stromal-cell-derived-factor-1%C3%AE-promotes-functional-repair-in-the-injured-rat-spinal-cord
#4
Malgosia M Pakulska, Charles H Tator, Molly S Shoichet
Traumatic spinal cord injury (SCI) is a devastating event for which functional recovery remains elusive. Due to the complex nature of SCI pathology, a combination treatment strategy will likely be required for success. We hypothesized that tissue and functional repair would be achieved in a rat model of impact-compression SCI by combining degradation of the glial scar, using chondroitinase ABC (ChABC), with recruitment of endogenous neural precursor cells (NPCs), using stromal cell-derived factor 1α (SDF)...
April 18, 2017: Biomaterials
https://www.readbyqxmd.com/read/28453953/dual-functioning-peptides-discovered-by-phage-display-increase-the-magnitude-and-specificity-of-bmsc-attachment-to-mineralized-biomaterials
#5
Harsha Ramaraju, Sharon J Miller, David H Kohn
Design of biomaterials for cell-based therapies requires presentation of specific physical and chemical cues to cells, analogous to cues provided by native extracellular matrices (ECM). We previously identified a peptide sequence with high affinity towards apatite (VTKHLNQISQSY, VTK) using phage display. The aims of this study were to identify a human MSC-specific peptide sequence through phage display, combine it with the apatite-specific sequence, and verify the specificity of the combined dual-functioning peptide to both apatite and human bone marrow stromal cells...
April 18, 2017: Biomaterials
https://www.readbyqxmd.com/read/28453931/ugi-reaction-derived-%C3%AE-acyl-aminocarboxamides-bind-to-phosphatidylinositol-3-kinase-related-kinases-inhibit-hsf1-dependent-heat-shock-response-and-induce-apoptosis-in-multiple-myeloma-cells
#6
Matthias Bach, Anna Lehmann, Daniela Brünnert, Jens T Vanselow, Andreas Hartung, Ralf C Bargou, Ulrike Holzgrabe, Andreas Schlosser, Manik Chatterjee
The heat shock transcription factor 1 (HSF1) has been identified as a therapeutic target for pharmacological treatment of multiple myeloma (MM) However, direct therapeutic targeting of HSF1 function seems to be difficult due to the shortage of clinically suitable pharmacological inhibitors. We utilized the Ugi multicomponent reaction to create a small, but smart library of α-acyl aminocarboxamides, and evaluated their ability to suppress heat shock response (HSR) in MM cells. Using the INA-6 cell line as MM model, and the strictly HSF1 dependent HSP72 induction as a HSR model, we identified potential HSF1 inhibitors...
April 28, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28453289/identification-of-buctopamine-and-mebuctopamine-a-%C3%AE-2-receptor-agonist-and-its-metabolite-in-swine-hair-and-feed-additives
#7
Ying-Heng Chen, Chia-Ying Yang, Chih Wen Cheng, Yi-Ying Lin, Su Lien Kuo, Ling-Wei Hsin
4-[2-(tert-Butylamino)-1-hydroxyethyl]phenol (buctopamine, 4), a new β2 receptor agonist (β2-agonist), was found to be an adulterant in feed additives for swine in Taiwan, where using β2-agonists in food-production animals is prohibited. Buctopamine and its metabolite, 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol (mebuctopamine, 2), were detected in swine hair specimens. Authentic compounds 2 and 4 were synthesized with 98.6% and 97.7% purity, respectively, as reference standards for analysis, and both compounds were more hydrophilic than ractopamine and clenbuterol...
April 28, 2017: Journal of Agricultural and Food Chemistry
https://www.readbyqxmd.com/read/28453271/an-efficient-metadynamics-based-protocol-to-model-the-binding-affinity-and-the-transition-state-ensemble-of-gpcr-ligands
#8
Noureldin Saleh, Passainte Ibrahim, Giorgio Saladino, Francesco Luigi Gervasio, Timothy Clark
A generally applicable metadynamics scheme for predicting the free-energy profile of ligand binding to G-protein coupled receptors (GPCRs) is described. A common collective variable (CV) can be defined because of the orientation of GPCRs in the cell membrane and because the relatively fixed residue Trp6.48 is highly conserved in GPCRs. Using this single CV together with well-tempered multiple-walker metadynamics with a funnel-like constraint allows an efficient exploration of the entire ligand-binding path from the extracellular medium to the orthosteric binding site, including vestibule and intermediate sites...
April 28, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28453260/origin-of-outstanding-phase-and-moisture-stability-in-na3p1-xasxs4-superionic-conductor
#9
Shun-Li Shang, Zhaoxin Yu, Yi Wang, Donghai Wang, Zi-Kui Liu
Sodium-ion (Na) solid-state electrolytes (SSEs) are critical to address notorious safety issue associated with liquid electrolytes used in the current Na-ion batteries. Fulfilling multiple innovations is a grand challenge but imperative for advanced Na-ion SSE such as a combination of high ionic conductivity and excellent chemical stability. Here, our first-principles and phonon calculations reveal that Na3P1-xAsxS4 (0 ≤ x ≤ 1) is a solid-state superionic conductor stabilized at 0 K by zero-point vibrational energy and at finite temperatures by vibrational and configurational entropies...
April 28, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28449373/biophysical-analysis-of-the-dynamics-of-calmodulin-interactions-with-neurogranin-and-ca2-calmodulin-dependent-kinase-ii
#10
Christian Seeger, Vladimir O Talibov, U Helena Danielson
Calmodulin (CaM) functions depend on interactions with CaM-binding proteins, regulated by Ca2+. Induced structural changes influence the affinity, kinetics, and specificities of the interactions. The dynamics of CaM interactions with neurogranin (Ng) and the CaM-binding region of Ca2+/calmodulin-dependent kinase II (CaMKII290-309 ) have been studied using biophysical methods. These proteins have opposite Ca2+ dependencies for CaM binding. Surface plasmon resonance biosensor analysis confirmed that Ca2+ and CaM interact very rapidly, and with moderate affinity ( KDSPR=3μM)...
April 27, 2017: Journal of Molecular Recognition: JMR
https://www.readbyqxmd.com/read/28449309/tumor-targeting-with-an-isodgr-drug-conjugate
#11
Simone Zanella, Simona Angerani, Pina Arianna, Paula López Rivas, Clelia Giannini, Silvia Panzeri, Daniela Arosio, Michele Caruso, Fabio Gasparri, Ivan Fraietta, Clara Albanese, Aurelio Marsiglio, Luca Pignataro, Laura Belvisi, Umberto Piarulli, Cesare Gennari
Here we report the first example of an isoDGR-drug conjugate (2), designed to release paclitaxel selectively within cancer cells expressing integrin αVβ3. Conjugate 2 was synthesized by connecting the isoDGR peptidomimetic 5 with paclitaxel via the lysosomally cleavable Val-Ala dipeptide linker. Conjugate 2 displayed a low nanomolar affinity for the purified integrin αVβ3 receptor (IC50 = 11.0 nM). The tumor targeting ability of conjugate 2 was assessed in vitro in anti-proliferative assays on two isogenic cancer cell lines characterized by different integrin αVβ3 expression: human glioblastoma U87 (αVβ3 +) and U87 β3-KO (αVβ3 -)...
April 27, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28449250/self-assembly-of-peptide-boroxoles-on-cis-dihydroxylated-oligoamide-templates-in-water
#12
André Wuttke, Armin Geyer
We develop templates that can be used to stabilize consistent oligomers of a bioactive peptide. In the present study, we synthesize oligomers of an antibody epitope from the amyloidogenic prion protein. Dynamic covalent chemistry is the basis for the spontaneous condensation of 2, 3, 4 or 6 peptides with qualified polyol templates presenting the required number of bioorthogonal ligation sites. To study this process in aqueous solution, the N-terminal amino acid of a 13-mer peptide is first acylated with 4-carboxy-benzoboroxole (1-hydroxy-1,3-dihydrobenzo[c][1,2] oxaborole-5-carboxylic acid) and then mixed with the template to obtain self-assembled miniamyloids of specified degree of oligomerization...
April 27, 2017: Journal of Peptide Science: An Official Publication of the European Peptide Society
https://www.readbyqxmd.com/read/28449085/guanine-quadruplex-monoclonal-antibody-1h6-cross-reacts-with-restrained-thymidine-rich-single-stranded-dna
#13
Hinke G Kazemier, Katrin Paeschke, Peter M Lansdorp
Previously we reported the production and characterization of monoclonal antibody 1H6 raised against (T4G4)2 intermolecular guanine quadruplex (G4) DNA structures (Henderson A. et al. (2014) Nucleic Acids Res., 42, 860-869; Hoffmann R.F. et al. (2016) Nucleic Acids Res., 44, 152-163). It was shown that 1H6 strongly stains nuclei and has exquisite specificity for heterochromatin by immuno-electron microscopy. Here we extend our studies of 1H6 reactivity using enzyme-linked immunosorbent assay (ELISA) and microscale thermophoresis (MST)...
April 25, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28449063/extraction-and-determination-of-quercetin-from-ginkgo-biloba-by-dess-based-polymer-monolithic-cartridge
#14
Xiaoqin Wang, Guizhen Li, Kyung Ho Row
Deep eutectic solvents (DES) were formed from choline chloride (ChCl). DES-modified polymer monolithic (DES-M), template molecular polymer monolithic and non-DES-M without a molecular template were synthesized in identical process. These polymer materials were characterized by field emission scanning electron microscopy and Fourier transform infrared spectroscopy. The significant selective adsorption properties of the polymers were assessed by an absorption capacity experiment and solid-phase extraction (SPE)...
April 26, 2017: Journal of Chromatographic Science
https://www.readbyqxmd.com/read/28448922/affine-and-non-affine-deformations-quantified-in-cytoskeletal-networks-through-three-dimensional-form-finding-model
#15
Yifan Wang, Jinghai Gong, Denis Wirtz, Benjamin W Schafer
Actin filaments and cross-linkers are main components of cytoskeletal networks in eukaryotic cells, and they support bending moments and axial forces respectively. A three-dimensional form-finding model is proposed in this work to investigate affine and non-affine deformations in cytoskeletal networks. In recent studies, modeling of cytoskeletal networks turns out to be a key piece in the cell mechanics puzzle. We used form-finding analysis to compute and analyze cytoskeletal models. A three-dimensional model is much more flexible and contains more elements than a two-dimensional model, and non-linear finite element analysis is difficult to converge...
April 20, 2017: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/28448741/chromophore-attachment-to-fusion-protein-of-streptavidin-and-recombinant-allophycocyanin-alpha-subunit
#16
Jing Wu, Huaxin Chen, Peng Jiang
The fusion protein (SLA) of streptavidin and allophycocyanin alpha subunit (holo-ApcA) was biosynthesized in Escherichia coli by a dual plasmid system. The recombinant SLA, purified by affinity chromatography, showed spectral properties similar to natural allophycocyanin alpha subunit (ApcA). Spectral and Zinc staining analysis indicated that the recombinant SLA covalently bound phycocyanobilin (PCB). To improve chromophorylation rate of recombinant SLA, an in vitro chromophore attachment reaction system was established, which contained partially chromophylated SLA, PCB and lyase CpcS...
April 27, 2017: Bioengineered
https://www.readbyqxmd.com/read/28448716/phosphorylation-weakens-but-does-not-inhibit-membrane-binding-and-clustering-of-k-ras4b
#17
Si-Yu Zhang, Benjamin Sperlich, Fang-Yi Li, Samy Al-Ayoubi, Hong-Xue Chen, YuFen Zhao, Yan-Mei Li, Katrin Weise, Roland Winter, Yong-Xiang Chen
K-Ras4B is one of the most frequently mutated Ras isoforms in cancers. The signaling activity of K-Ras4B depends on its localization to the plasma membrane (PM), which is mainly mediated by its polybasic farnesylated C-terminus. On top of the constitutive cycles that maintain the PM enrichment of K-Ras4B, conditional phosphorylation at Ser181 located within this motif has been found to be involved in regulating K-Ras4B's cell distribution and signaling activity. However, discordant observations have undermined our understanding of the role this phosphorylation plays...
April 27, 2017: ACS Chemical Biology
https://www.readbyqxmd.com/read/28448538/combined-lipidomic-and-proteomic-analysis-of-isolated-human-islets-exposed-to-palmitate-reveals-time-dependent-changes-in-insulin-secretion-and-lipid-metabolism
#18
Kirsten Roomp, Hjalti Kristinsson, Domitille Schvartz, Kumari Ubhayasekera, Ernest Sargsyan, Levon Manukyan, Azazul Chowdhury, Hannes Manell, Venkata Satagopam, Karlfried Groebe, Reinhard Schneider, Jonas Bergquist, Jean-Charles Sanchez, Peter Bergsten
Studies on the pathophysiology of type 2 diabetes mellitus (T2DM) have linked the accumulation of lipid metabolites to the development of beta-cell dysfunction and impaired insulin secretion. In most in vitro models of T2DM, rodent islets or beta-cell lines are used and typically focus is on specific cellular pathways or organs. Our aim was to, firstly, develop a combined lipidomics and proteomics approach for lipotoxicity in isolated human islets and, secondly, investigate if the approach could delineate novel and/ or confirm reported mechanisms of lipotoxicity...
2017: PloS One
https://www.readbyqxmd.com/read/28448508/a-longitudinal-cline-characterizes-the-genetic-structure-of-human-populations-in-the-tibetan-plateau
#19
Choongwon Jeong, Benjamin M Peter, Buddha Basnyat, Maniraj Neupane, Cynthia M Beall, Geoff Childs, Sienna R Craig, John Novembre, Anna Di Rienzo
Indigenous populations of the Tibetan plateau have attracted much attention for their good performance at extreme high altitude. Most genetic studies of Tibetan adaptations have used genetic variation data at the genome scale, while genetic inferences about their demography and population structure are largely based on uniparental markers. To provide genome-wide information on population structure, we analyzed new and published data of 338 individuals from indigenous populations across the plateau in conjunction with worldwide genetic variation data...
2017: PloS One
https://www.readbyqxmd.com/read/28448128/total-chemical-synthesis-and-folding-of-all-l-and-all-d-variants-of-oncogenic-kras-g12v
#20
Adam Marc Levinson, John H McGee, Andrew G Roberts, Gardner Creech, Ting Wang, Michael T Peterson, Ronald C Hendrickson, Gregory L Verdine, Samuel J Danishefsky
The Ras proteins are essential GTPases involved in the regulation of cell proliferation and survival. Mutated oncogenic forms of Ras alter effector binding and innate GTPase activity, leading to deregulation of downstream signal transduction. Mutated forms of Ras are involved in approximately 30% of human cancers. Despite decades of effort to develop direct Ras inhibitors, Ras has long been considered 'undruggable' due to its high affinity for GTP and its lack of hydrophobic binding pockets. Herein, we report a total chemical synthesis of all-L- and all-D-amino acid biotinylated variants of oncogenic mutant KRas(G12V)...
April 27, 2017: Journal of the American Chemical Society
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