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Frontiers in Chemistry

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https://www.readbyqxmd.com/read/28197402/suicide-inhibition-of-cytochrome-p450-enzymes-by-cyclopropylamines-via-a-ring-opening-mechanism-proton-coupled-electron-transfer-makes-a-difference
#1
Xiaoqian Zhang, Xiao-Xi Li, Yufang Liu, Yong Wang
N-benzyl-N-cyclopropylamine (BCA) has been attracting great interests for decades for its partial suicide inactivation role to cytochrome P450 (P450) via a ring-opening mechanism besides acting as a role of normal substrates. Understanding the mechanism of such partial inactivation is vital to the clinical drug design. Thus, density functional theoretical (DFT) calculations were carried out on such P450-catalyzed reactions, not only on the metabolic pathway, but on the ring-opening inactivation one. Our theoretical results demonstrated that, in the metabolic pathway, besides the normal carbinolamine, an unexpected enamine was formed via the dual hydrogen abstraction (DHA) process, in which the competition between rotation of the H-abstracted substrate radical and the rotation of hydroxyl group of the protonated Cpd II moiety plays a significant role in product branch; In the inactivation pathway, the well-noted single electron transfer (SET) mechanism-involved process was invalidated for its high energy barrier, a proton-coupled electron transfer [PCET(ET)] mechanism plays a role...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28184370/metaproteomics-as-a-complementary-approach-to-gut-microbiota-in-health-and-disease
#2
REVIEW
Bernardo A Petriz, Octávio L Franco
Classic studies on phylotype profiling are limited to the identification of microbial constituents, where information is lacking about the molecular interaction of these bacterial communities with the host genome and the possible outcomes in host biology. A range of OMICs approaches have provided great progress linking the microbiota to health and disease. However, the investigation of this context through proteomic mass spectrometry-based tools is still being improved. Therefore, metaproteomics or community proteogenomics has emerged as a complementary approach to metagenomic data, as a field in proteomics aiming to perform large-scale characterization of proteins from environmental microbiota, such as the human gut...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28184369/fouling-resistant-ca-pva-tio2-imprinted-membranes-for-selective-recognition-and-separation-salicylic-acid-from-waste-water
#3
Xiaopeng Yu, Xueyang Mi, Zhihui He, Minjia Meng, Hongji Li, Yongsheng Yan
Highly selective cellulose acetate (CA)/poly (vinyl alcohol) (PVA)/titanium dioxide (TiO2) imprinted membranes were synthesized by phase inversion and dip coating technique. The CA blend imprinted membrane was synthesized by phase inversion technique with CA as membrane matrix, polyethyleneimine (PEI) as the functional polymer, and the salicylic acid (SA) as the template molecule. The CA/PVA/TiO2 imprinted membranes were synthesized by dip coating of CA blend imprinted membrane in PVA and different concentration (0...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28154813/the-effect-of-selective-d-or-n-%C3%AE-methyl-arginine-substitution-on-the-activity-of-the-proline-rich-antimicrobial-peptide-chex1-arg20
#4
Wenyi Li, Zhe Sun, Neil M O'Brien-Simpson, Laszlo Otvos, Eric C Reynolds, Mohammed A Hossain, Frances Separovic, John D Wade
In vivo pharmacokinetics studies have shown that the proline-rich antimicrobial peptide, A3-APO, which is a discontinuous dimer of the peptide, Chex1-Arg20, undergoes degradation to small fragments at positions Pro6-Arg7 and Val19-Arg20. With the aim of minimizing or abolishing this degradation, a series of Chex1-Arg20 analogs were prepared via Fmoc/tBu solid phase peptide synthesis with D-arginine or, in some cases, peptide backbone N(α)-methylated arginine, substitution at these sites. All the peptides were tested for antibacterial activity against the Gram-negative bacterium Klebsiella pneumoniae...
2017: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28149835/effect-of-sodium-sulfite-sodium-dodecyl-sulfate-and-urea-on-the-molecular-interactions-and-properties-of-whey-protein-isolate-based-films
#5
Markus Schmid, Tobias K Prinz, Andreas Stäbler, Sven Sängerlaub
Whey protein coatings and cast films are promising for use as food packaging materials. Ongoing research is endeavoring to reduce their permeability. The intention of this study was to evaluate the effect of the reactive additives sodium sulfite, sodium dodecyl sulfate (SDS), and urea on the oxygen barrier, water vapor barrier, and protein solubility of whey protein cast films. The concentration of the reactive additives was 1 to 20 wt.-%. Dried whey protein cast films were used as substrate materials. The water vapor transmission rate, the oxygen permeability, and the protein solubility were measured...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28119912/a-study-of-the-interaction-of-bovine-hemoglobin-with-synthetic-dyes-using-spectroscopic-techniques-and-molecular-docking
#6
Kamaljeet, Saurabh Bansal, Uttara SenGupta
Synthetic dyes are a very efficient class of dyes that are ingested or come into contact with the skin from numerous sources (cosmetics, textiles, leather, paper, and drugs). An important component of their safety profile is the interactions that they form after they enter the body. Hemoglobin is a functionally important protein that can form multiple interactions with soluble compounds present in the blood, and hence forms an important aspect of the toxicological or safety profile of the dyes. Here we study the interaction between bovine hemoglobin and organic dyes using UV-Vis absorbance and fluorescence spectroscopy...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28119911/from-stock-bottle-to-vaccine-elucidating-the-particle-size-distributions-of-aluminum-adjuvants-using-dynamic-light-scattering
#7
Emma Shardlow, Matthew Mold, Christopher Exley
The physicochemical properties of aluminum salts are key determinants of their resultant adjuvanticity in vivo when administered as part of a vaccine. While there are links between particle size and the efficacy of the immune response, the limited literature directly characterizing the PSD of aluminum adjuvants has stymied the elucidation of such a relationship for these materials. Hence, this comparative study was undertaken to monitor the PSD of aluminum adjuvants throughout the process of vaccine formulation using DLS...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/28018899/theoretical-investigation-of-mono-and-di-chloro-substitient-effects-on-the-insulation-and-greenhouse-properties-of-octafluorocyclobutane
#8
Lin Cheng, Zhaoyu Qin, Chaohai Zhang, Huixuan Shi, Kun Zhao, Xiaoyu Xie, Haibo Ma
Octafluorocyclobutane, c-C4F8, and its derivatives are regarded as promising replacements of insulation gaseous SF6, which are currently widely used in electric equipment but suffer greatly from its greenhouse effect. Based on the recent finding that the dielectric and thermodynamics properties of insulating gases are greatly dependent on the molecule's microscopic electronic and vibrational parameters, in this work, we use density functional theory (DFT) to study the molecular structures, electron affinities, and IR-active vibrational frequencies as well as thermodynamic properties for c-C4F8 and a series of mono-, di-substituted c-C4F8 compounds...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27995125/probing-the-interaction-between-nanoparticles-and-lipid-membranes-by-quartz-crystal-microbalance-with-dissipation-monitoring
#9
REVIEW
Nariman Yousefi, Nathalie Tufenkji
There is increasing interest in using quartz crystal microbalance with dissipation monitoring (QCM-D) to investigate the interaction of nanoparticles (NPs) with model surfaces. The high sensitivity, ease of use and the ability to monitor interactions in real-time has made it a popular technique for colloid chemists, biologists, bioengineers, and biophysicists. QCM-D has been recently used to probe the interaction of NPs with supported lipid bilayers (SLBs) as model cell membranes. The interaction of NPs with SLBs is highly influenced by the quality of the lipid bilayers...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27921029/nanoscale-structure-and-spectroscopic-probing-of-a%C3%AE-1-40-fibril-bundle-formation
#10
Katarzyna M Psonka-Antonczyk, Per Hammarström, Leif B G Johansson, Mikael Lindgren, Bjørn T Stokke, K Peter R Nilsson, Sofie Nyström
Amyloid plaques composed of fibrillar Amyloid-β (Aβ) are hallmarks of Alzheimer's disease. However, Aβ fibrils are morphologically heterogeneous. Conformation sensitive luminescent conjugated oligothiophenes (LCOs) are versatile tools for monitoring such fibril polymorphism in vivo and in vitro. Biophysical methods applied on in vitro generated Aβ fibrils, stained with LCOs with different binding and fluorescence properties, can be used to characterize the Aβ fibrillation in depth, far beyond that possible for in vivo generated amyloid plaques...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27917379/current-understanding-of-the-correlation-of-lignin-structure-with-biomass-recalcitrance
#11
REVIEW
Mi Li, Yunqiao Pu, Arthur J Ragauskas
Lignin, a complex aromatic polymer in terrestrial plants, contributes significantly to biomass recalcitrance to microbial and/or enzymatic deconstruction. To reduce biomass recalcitrance, substantial endeavors have been exerted on pretreatment and lignin engineering in the past few decades. Lignin removal and/or alteration of lignin structure have been shown to result in reduced biomass recalcitrance with improved cell wall digestibility. While high lignin content is usually a barrier to a cost-efficient application of bioresources to biofuels, the direct correlation of lignin structure and its concomitant properties with biomass remains unclear due to the complexity of cell wall and lignin structure...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27900318/templated-sequence-insertion-polymorphisms-in-the-human-genome
#12
REVIEW
Masahiro Onozawa, Peter D Aplan
Templated Sequence Insertion Polymorphism (TSIP) is a recently described form of polymorphism recognized in the human genome, in which a sequence that is templated from a distant genomic region is inserted into the genome, seemingly at random. TSIPs can be grouped into two classes based on nucleotide sequence features at the insertion junctions; Class 1 TSIPs show features of insertions that are mediated via the LINE-1 ORF2 protein, including (1) target-site duplication (TSD), (2) polyadenylation 10-30 nucleotides downstream of a "cryptic" polyadenylation signal, and (3) preference for insertion at a 5'-TTTT/A-3' sequence...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27872839/insight-into-the-exoproteome-of-the-tissue-derived-trypomastigote-form-of-trypanosoma-cruzi
#13
Rayner M L Queiroz, Carlos A O Ricart, Mara O Machado, Izabela M D Bastos, Jaime M de Santana, Marcelo V de Sousa, Peter Roepstorff, Sébastien Charneau
The protozoan parasite Trypanosoma cruzi causes Chagas disease, one of the major neglected infectious diseases. It has the potential to infect any nucleated mammalian cell. The secreted/excreted protein repertoire released by T. cruzi trypomastigotes is crucial in host-pathogen interactions. In this study, mammalian tissue culture-derived trypomastigotes (Y strain) were used to characterize the exoproteome of the infective bloodstream life form. Proteins released into the serum-free culture medium after 3 h of incubation were harvested and digested with trypsin...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27812524/the-making-a-murderer-case-a-brief-description-on-how-edta-is-measured-in-blood
#14
Steven R Wilson, Luke Tolley
No abstract text is available yet for this article.
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27790611/mass-spectrometry-based-approaches-to-understand-the-molecular-basis-of-memory
#15
REVIEW
Arthur H Pontes, Marcelo V de Sousa
The central nervous system is responsible for an array of cognitive functions such as memory, learning, language, and attention. These processes tend to take place in distinct brain regions; yet, they need to be integrated to give rise to adaptive or meaningful behavior. Since cognitive processes result from underlying cellular and molecular changes, genomics and transcriptomics assays have been applied to human and animal models to understand such events. Nevertheless, genes and RNAs are not the end products of most biological functions...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27774447/in-vitro-engineering-of-novel-bioactivity-in-the-natural-enzymes
#16
Vishvanath Tiwari
Enzymes catalyze various biochemical functions with high efficiency and specificity. In vitro design of the enzyme leads to novel bioactivity in this natural biomolecule that give answers of some vital questions like crucial residues in binding with substrate, molecular evolution, cofactor specificity etc. Enzyme engineering technology involves directed evolution, rational designing, semi-rational designing, and structure-based designing using chemical modifications. Similarly, combined computational and in vitro evolution approaches together help in artificial designing of novel bioactivity in the natural enzyme...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27668212/metal-cations-in-g-quadruplex-folding-and-stability
#17
REVIEW
Debmalya Bhattacharyya, Gayan Mirihana Arachchilage, Soumitra Basu
This review is focused on the structural and physicochemical aspects of metal cation coordination to G-Quadruplexes (GQ) and their effects on GQ stability and conformation. G-quadruplex structures are non-canonical secondary structures formed by both DNA and RNA. G-quadruplexes regulate a wide range of important biochemical processes. Besides the sequence requirements, the coordination of monovalent cations in the GQ is essential for its formation and determines the stability and polymorphism of GQ structures...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27606311/adenosine-a2b-receptor-from-cell-biology-to-human-diseases
#18
REVIEW
Ying Sun, Pingbo Huang
Extracellular adenosine is a ubiquitous signaling molecule that modulates a wide array of biological processes. Recently, significant advances have been made in our understanding of A2B adenosine receptor (A2BAR). In this review, we first summarize some of the general characteristics of A2BAR, and then we describe the multiple binding partners of the receptor, such as newly identified α-actinin-1 and p105, and discuss how these associated proteins could modulate A2BAR's functions, including certain seemingly paradoxical functions of the receptor...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27597939/core-shell-co-coo-integrated-on-3d-nitrogen-doped-reduced-graphene-oxide-aerogel-as-an-enhanced-electrocatalyst-for-the-oxygen-reduction-reaction
#19
Meng Wang, Yuyang Hou, Robert C T Slade, Jiazhao Wang, Dongqi Shi, David Wexler, Huakun Liu, Jun Chen
Here, we demonstrate that Cobalt/cobalt oxide core-shell nanoparticles integrated on nitrogen-doped (N-doped) three-dimensional reduced graphene oxide aerogel-based architecture (Co/CoO-NGA) were synthesized through a facile hydrothermal method followed by annealing treatment. The unique endurable porous structure could provide sufficient mass transfer channels and ample active sites on Co/CoO-NGA to facilitate the catalytic reaction. The synthesized Co/CoO-NGA was explored as an electrocatalyst for the oxygen reduction reaction, showing comparable oxygen reduction performance with excellent methanol resistance and better durability compared with Pt/C...
2016: Frontiers in Chemistry
https://www.readbyqxmd.com/read/27579301/a-sustainable-and-efficient-synthesis-of-benzyl-phosphonates-using-peg-ki-catalytic-system
#20
Shamrao Disale, Sandip Kale, George Abraham, Sandeep Kahandal, Ashish N Sawarkar, Manoj B Gawande
An efficient and expedient protocol for the synthesis of benzyl phosphonates using KI/K2CO3 as a catalytic system and PEG-400 as benign solvent has been developed. The reaction proceeds smoothly at room temperature achieving excellent selectivity and yield of the corresponding products. The combination of PEG-400, KI, and K2CO3 in this reaction avoids the need of volatile/toxic organic solvents and reactive alkali metals or metal nanoparticles/hydrides. We believe that this benign combination (PEG-400 and KI) could be used for other related organic transformations...
2016: Frontiers in Chemistry
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