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https://www.readbyqxmd.com/read/28319899/molecular-imprinting-sensor-based-on-quantum-weak-measurement
#1
Dongmei Li, Qinghua He, Yonghong He, Meiguo Xin, Yilong Zhang, Zhiyuan Shen
A new type of sensing protocol, based on a high precision metrology of quantum weak measurement, was first proposed for molecularly imprinted polymers (MIP) sensor. The feasibility, sensitivity and selectivity of weak measurement based MIP (WMMIP) sensor were experimentally demonstrated with bovine serum albumin (BSA). Weak measurement system exhibits high sensitivity to the optical phase shift corresponding to the refractive index change, which is induced by the specific capture of target protein molecules with its recognition sites...
March 10, 2017: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/28319779/supramolecular-biofunctional-materials
#2
REVIEW
Jie Zhou, Jie Li, Xuewen Du, Bing Xu
This review discusses supramolecular biofunctional materials, a novel class of biomaterials formed by small molecules that are held together via noncovalent interactions. The complexity of biology and relevant biomedical problems not only inspire, but also demand effective molecular design for functional materials. Supramolecular biofunctional materials offer (almost) unlimited possibilities and opportunities to address challenging biomedical problems. Rational molecular design of supramolecular biofunctional materials exploit powerful and versatile noncovalent interactions, which offer many advantages, such as responsiveness, reversibility, tunability, biomimicry, modularity, predictability, and, most importantly, adaptiveness...
March 12, 2017: Biomaterials
https://www.readbyqxmd.com/read/28319646/improving-non-specific-binding-and-solubility-bicycloalkyls-and-cubanes-as-p-phenyl-bioisosteres
#3
Yves P Auberson, Cara Brocklehurst, Markus Furegati, Thomas Fessard, Guido Koch, Andrea Decker, Luigi La Vecchia, Emmanuelle Briard
Bicycloalkyl groups have previously been described as phenyl group bioisosteres. This article describes the synthesis of new building blocks allowing their introduction in complex molecules, and explores their use as a means to modify the physicochemical properties of drug candidates and improve the quality of imaging agents. In particular, the replacement of an aromatic ring with a bicyclo[1.1.1]pentane-1,3-diyl group improves solubility by at least 50-fold, and markedly decreases non-specific binding (NSB) as measured using CHI(IAM), the chromatographic hydrophobicity index on immobilized artificial membranes...
March 20, 2017: ChemMedChem
https://www.readbyqxmd.com/read/28319389/potential-antiosteoporotic-natural-product-lead-compounds-that-inhibit-17%C3%AE-hydroxysteroid-dehydrogenase-type-2
#4
Anna Vuorinen, Roger T Engeli, Susanne Leugger, Fabio Bachmann, Muhammad Akram, Atanas G Atanasov, Birgit Waltenberger, Veronika Temml, Hermann Stuppner, Liselotte Krenn, Sylvin B Ateba, Dieudonné Njamen, Rohan A Davis, Alex Odermatt, Daniela Schuster
17β-Hydroxysteroid dehydrogenase type 2 (17β-HSD2) converts the active steroid hormones estradiol, testosterone, and 5α-dihydrotestosterone into their weakly active forms estrone, Δ(4)-androstene-3,17-dione, and 5α-androstane-3,17-dione, respectively, thereby regulating cell- and tissue-specific steroid action. As reduced levels of active steroids are associated with compromised bone health and onset of osteoporosis, 17β-HSD2 is considered a target for antiosteoporotic treatment. In this study, a pharmacophore model based on 17β-HSD2 inhibitors was applied to a virtual screening of various databases containing natural products in order to discover new lead structures from nature...
March 20, 2017: Journal of Natural Products
https://www.readbyqxmd.com/read/28319101/a-vibrio-cholerae-autoinducer-receptor-pair-that-controls-biofilm-formation
#5
Kai Papenfort, Justin E Silpe, Kelsey R Schramma, Jian-Ping Cong, Mohammad R Seyedsayamdost, Bonnie L Bassler
Quorum sensing (QS) is a cell-cell communication process that enables bacteria to track cell population density and orchestrate collective behaviors. QS relies on the production and detection of, and the response to, extracellular signal molecules called autoinducers. In Vibrio cholerae, multiple QS circuits control pathogenesis and biofilm formation. Here, we identify and characterize a new QS autoinducer-receptor pair. The autoinducer is 3,5-dimethylpyrazin-2-ol (DPO). DPO is made from threonine and alanine, and its synthesis depends on threonine dehydrogenase (Tdh)...
March 20, 2017: Nature Chemical Biology
https://www.readbyqxmd.com/read/28319067/the-histone-demethylase-kdm3a-and-its-downstream-target-mcam-promote-ewing-sarcoma-cell-migration-and-metastasis
#6
M Sechler, J K Parrish, D K Birks, P Jedlicka
Ewing Sarcoma is the second most common solid pediatric malignant neoplasm of bone and soft tissue. Driven by EWS/Ets, or rarely variant, oncogenic fusions, Ewing Sarcoma is a biologically and clinically aggressive disease with a high propensity for metastasis. However, the mechanisms underpinning Ewing Sarcoma metastasis are currently not well understood. In the present study, we identify and characterize a novel metastasis-promotional pathway in Ewing Sarcoma, involving the histone demethylase KDM3A, previously identified by our laboratory as a new cancer-promoting gene in this disease...
March 20, 2017: Oncogene
https://www.readbyqxmd.com/read/28318299/lithocholic-acid-a-new-emergent-protector-of-intestinal-calcium-absorption-under-oxidant-conditions
#7
Ana M Marchionatti, Adriana Pérez, María A Rivoira, Valeria A Rodríguez, Nori G Tolosa de Talamoni
LCA and 1,25(OH)2D3 are vitamin D receptor ligands with different binding affinity. The secosteroid stimulates intestinal Ca(2+) absorption. Whether LCA alters this process remains unknown. The aim of our work was to determine the effect of LCA on intestinal Ca(2+) absorption in the absence or presence of NaDOC, bile acid that inhibits the cation transport. The data show that LCA by itself did not alter intestinal Ca(2+) absorption, but prevented the inhibitory effect of NaDOC. The concomitant administration of LCA avoided the reduction of intestinal alkaline phosphatase activity caused by NaDOC...
March 20, 2017: Biochemistry and Cell Biology, Biochimie et Biologie Cellulaire
https://www.readbyqxmd.com/read/28318258/molecular-dynamics-studies-on-liquid-vapor-interface-properties-and-structures-of-1-ethyl-3-methylimidazolium-dimethylphosphate-water
#8
Tianyu Li, Zongchang Zhao, Xiaodong Zhang, Xican Sun
1-ethyl-3-methylimidazolium dimethylphosphate ([Emim][Dmp])-water binary solution is one of the promising new working-pairs for absorption heat pump and absorption chillers, which are widely used to recover industrial waste heat. In the absorption process, the mass and heat transfer at the interface greatly depend on interface microscopes structure. Therefore, in order to understand the absorption process, it is very important to study the interface microscopes structure. The liquid-vapor interface properties, as well as the orientation of [Emim]+, [Dmp]-, water at the interface and its aqueous solution with different water mole fraction, were studied using classical all-atom force field by molecular dynamic simulations...
March 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28318014/-solvent-hydrogen-bond-occlusion-a-new-model-of-polar-desolvation-for-biomolecular-energetics
#9
Andrea Bazzoli, John Karanicolas
Water engages in two important types of interactions near biomolecules: it forms ordered "cages" around exposed hydrophobic regions, and it participates in hydrogen bonds with surface polar groups. Both types of interaction are critical to biomolecular structure and function, but explicitly including an appropriate number of solvent molecules makes many applications computationally intractable. A number of implicit solvent models have been developed to address this problem, many of which treat these two solvation effects separately...
March 20, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28318003/small-molecule-hedgehog-pathway-antagonists
#10
Trieu N Trinh, Eileen A McLaughlin, Christopher P Gordon, Ilana R Bernstein, Victoria J Pye, Kate A Redgrove, Adam McCluskey
Leveraging our quinolone-1-(2H)-one based Hedgehog signalling pathway (HSP) inhibitors we have developed two new classes of HSP inhibitors based on: l-tryptophan and benzo[1,3]dioxol-5-ylmethyl-[2-(1H-indol-3-yl)-ethyl]-amine. Synthesis of focused compound libraries identified six l-tryptophan based inhibitors, and two stimulators, of Gli at 10 μM compound concentration. 2,4-Dichloro-13 and indole 16 suppressed mRNA expression of Ptch1 in Shh LIGHT2 cells, with 13 suppressing and 16 stimulating Gli2 mRNA expression...
March 20, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28317960/azomethine-isocyanide-3-2-cycloaddition-to-imidazoles-promoted-by-silver-and-dbu
#11
Xiaoshan Huang, Xuefeng Cong, Pengbing Mi, Xihe Bi
A new silver-promoted [3+2] cycloaddition of azomethine ylides with isocyanides has been described. The methodology provides an efficient and modular approach to 1,2,4-trisubstituted imidazoles of vital bioactive molecules and atypical antipsychotics analogues.
March 20, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28317836/microscale-symmetrical-electroporator-array-as-a-versatile-molecular-delivery-system
#12
Mengxing Ouyang, Winfield Hill, Jung Hyun Lee, Soojung Claire Hur
Successful developments of new therapeutic strategies often rely on the ability to deliver exogenous molecules into cytosol. We have developed a versatile on-chip vortex-assisted electroporation system, engineered to conduct sequential intracellular delivery of multiple molecules into various cell types at low voltage in a dosage-controlled manner. Micro-patterned planar electrodes permit substantial reduction in operational voltages and seamless integration with an existing microfluidic technology. Equipped with real-time process visualization functionality, the system enables on-chip optimization of electroporation parameters for cells with varying properties...
March 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28317737/identification-of-the-key-excreted-molecule-by-lactobacillus-fermentum-related-to-host-iron-absorption
#13
Ana González, Natividad Gálvez, Jesús Martín, Fernando Reyes, Ignacio Pérez-Victoria, Jose M Dominguez-Vera
We have taken a vital step towards understanding why probiotic bacteria increase iron absorption in the gastrointestinal tract. We show here that Lactobacillus fermentum, one of the main probiotics of the microbiota, exhibits an extraordinary ferric-reducing activity. This activity is predominantly due to an excreted molecule: p-hydroxyphenyllactic acid (HPLA). Reduction of Fe(III) to Fe(II) is essential for iron absorption in the gastrointestinal tract. By reducing Fe(III), HPLA boosts Fe(II) absorption through the DMT1 channels of enterocytes...
August 1, 2017: Food Chemistry
https://www.readbyqxmd.com/read/28317372/a-pillararene-based-aie-active-supramolecular-system-for-simultaneous-detection-and-removal-of-mercury-ii-in-water
#14
Hong-Bo Cheng, Ziyan Li, Yao-Dong Huang, Lei Liu, Hai-Chen Wu
Supramolecular polymers are polymers based on monomeric units held together with directional and reversible noncovalent interactions. Compared with traditional polymers, they possess better processability and better recycling properties, owing to their reversible monomer-to-polymer transition. Herein, we report the construction of a new supramolecular system through self assembly of a thymine-substituted copillar[5]arene 1 and a tetraphenylethylene (TPE) derivative 2 in the presence of Hg2+. Copillar[5]arene 1 can coordinate with Hg2+ tightly through T-Hg2+-T pairings...
March 20, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28317180/anti-acsa-2-defines-a-novel-monoclonal-antibody-for-prospective-isolation-of-living-neonatal-and-adult-astrocytes
#15
Christina G Kantzer, Camille Boutin, Ina D Herzig, Carolina Wittwer, Sandy Reiß, Marie Catherine Tiveron, Jan Drewes, Thomas D Rockel, Stefanie Ohlig, Jovica Ninkovic, Harold Cremer, Sandra Pennartz, Melanie Jungblut, Andreas Bosio
Astrocytes are the most abundant cell type of the central nervous system and cover a broad range of functionalities. We report here the generation of a novel monoclonal antibody, anti-astrocyte cell surface antigen-2 (Anti-ACSA-2). Flow cytometry, immunohistochemistry and immunocytochemistry revealed that Anti-ACSA-2 reacted specifically with a not yet identified glycosylated surface molecule of murine astrocytes at all developmental stages. It did not show any labeling of non-astroglial cells such as neurons, oligodendrocytes, NG2(+) cells, microglia, endothelial cells, leukocytes, or erythrocytes...
March 20, 2017: Glia
https://www.readbyqxmd.com/read/28317101/recent-advances-in-small-molecule-and-biological-therapeutic-approaches-in-the-treatment-of-psoriasis
#16
Jackson G Turbeville, Nupur U Patel, Leah A Cardwell, Elias Oussedik, Steven R Feldman
New treatments continue to be developed for psoriasis. In this review, we aim to summarize the results of the major published studies on biologic and small molecule drugs for the treatment of psoriasis. We emphasize the safety, efficacy, and tolerability of these treatment options. A review of the MEDLINE database was conducted for each class of medication. Randomized controlled trials were identified for each medication; data on efficacy, safety, and tolerability was reviewed. Biologic and small molecule treatment options are more effective than placebo, although there were few head-to-head trials to assess relative efficacy between biologics and small molecule treatments...
March 20, 2017: Clinical Pharmacology and Therapeutics
https://www.readbyqxmd.com/read/28317058/one-pot-synthesis-of-alternating-peptides-exploiting-a-new-polymerization-technique-based-on-ugi-s-4cc-reaction
#17
Yasuhito Koyama, Prashant G Gudeangadi
We developed a one-pot synthetic technique for alternating peptides. Central to this technique is a new, catalyst-free polymerization based on Ugi's 4CC reaction. The treatment of imines with the ambident molecules bearing both an isocyanide and a carboxylic acid afforded alternating peptides.
March 20, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28316240/heme-gazing-illuminating-eukaryotic-heme-trafficking-dynamics-and-signaling-with-fluorescent-heme-sensors
#18
David A Hanna, Osiris Martinez-Guzman, Amit Ram Reddi
Heme (iron protoporphyrin IX) is an essential protein prosthetic group and signaling molecule required for most life on Earth. All heme dependent processes require the dynamic and rapid mobilization of heme from sites of synthesis or uptake to hemoproteins present in virtually every subcellular compartment. The cytotoxicity and hydrophobicity of heme necessitates that heme mobilization is carefully controlled to mitigate the deleterious effects of this essential toxin. Indeed, a number of disorders, including certain cancers, cardiovascular diseases, and aging and age-related neurodegenerative diseases, are tied to defects in heme homeostasis...
March 18, 2017: Biochemistry
https://www.readbyqxmd.com/read/28316236/webmolcs-a-web-based-interface-for-visualizing-molecules-in-3d-chemical-spaces
#19
Mahendra Awale, Daniel Probst, Jean-Louis Reymond
The concept of chemical space provides a convenient framework to analyze large collections of molecules by placing them in property spaces where distances represent similarities. Here we report webMolCS, a new type of web-based interface visualizing up to 5000 user-defined molecules in six different 3D chemical spaces obtained by principal component analysis or similarity mapping of multi-dimensional property spaces describing composition (MQN: 42D Molecular Quantum Numbers, SMIfp: 34D SMILES fingerprint), shapes and pharmacophores (APfp: 20D atom pair fingerprint, Xfp: 55D category extended atom pair fingerprint), and substructures (Sfp: 1024D binary substructure fingerprint, ECfp4: 1024D extended connectivity fingerprint)...
March 19, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28316149/detecting-alternatively-spliced-transcript-isoforms-from-single-molecule-long-read-sequences-without-a-reference-genome
#20
Xiaoxian Liu, Wenbin Mei, Pamela S Soltis, Douglas E Soltis, W Brad Barbazuk
Alternative splicing (AS) is a major source of transcript and proteome diversity, but examining AS in species without well-annotated reference genomes remains difficult. Research on both human and mouse has demonstrated the advantages of using Iso-Seq(™) data for isoform-level transcriptome analysis, including the study of AS and gene fusion. We applied Iso-Seq(™) to investigate AS in Amborella trichopoda, a phylogenetically pivotal species that is sister to all other living angiosperms. Our data show that, compared with RNA-Seq data, the Iso-Seq(™) platform provides better recovery on large transcripts, new gene locus identification, and gene model correction...
March 18, 2017: Molecular Ecology Resources
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