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https://www.readbyqxmd.com/read/28231539/a-new-model-to-predict-diffusive-self-heating-during-composting-incorporating-the-reaction-engineering-approach-rea-framework
#1
Aditya Putranto, Xiao Dong Chen
During composting, self-heating may occur due to the exothermicities of the chemical and biological reactions. An accurate model for predicting maximum temperature is useful in predicting whether the phenomena would occur and to what extent it would have undergone. Elevated temperatures would lead to undesirable situations such as the release of large amount of toxic gases or sometimes would even lead to spontaneous combustion. In this paper, we report a new model for predicting the profiles of temperature, concentration of oxygen, moisture content and concentration of water vapor during composting...
February 1, 2017: Bioresource Technology
https://www.readbyqxmd.com/read/28231510/lipopolyplex-potentiates-anti-tumor-immunity-of-mrna-based-vaccination
#2
Stefano Persano, Maria L Guevara, Zhaoqi Li, Junhua Mai, Mauro Ferrari, Pier Paolo Pompa, Haifa Shen
mRNA-based vaccines have the benefit of triggering robust anti-cancer immunity without the potential danger of genome integration from DNA vaccines or the limitation of antigen selection from peptide vaccines. Yet, a conventional mRNA vaccine comprising of condensed mRNA molecules in a positively charged protein core structure is not effectively internalized by the antigen-presenting cells. It cannot offer sufficient protection for mRNA molecules from degradation by plasma and tissue enzymes either. Here, we have developed a lipopolyplex mRNA vaccine that consists of a poly-(β-amino ester) polymer mRNA core encapsulated into a 1,2-dioleoyl-sn-glycero-3-ethylphosphocholine/1,2-dioleoyl-sn-glycero-3-phosphatidyl-ethanolamine/1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polyethylene glycol)-2000 (EDOPC/DOPE/DSPE-PEG) lipid shell...
February 20, 2017: Biomaterials
https://www.readbyqxmd.com/read/28231152/antimicrobial-active-packaging-including-chitosan-films-with-thymus-vulgaris-l-essential-oil-for-ready-to-eat-meat
#3
Jesús Quesada, Esther Sendra, Casilda Navarro, Estrella Sayas-Barberá
An active packaging system has been designed for the shelf life extension of ready to eat meat products. The package included an inner surface coated with a chitosan film with thyme essential oil (0%, 0.5%, 1%, and 2%) not in direct contact with the meat. Our aim was to reduce the impact of thyme essential oil (EO) on meat sensory properties by using a chemotype with low odor intensity. The pH, color parameters, microbial populations, and sensory properties were assessed during 4 weeks of refrigerated storage...
August 29, 2016: Foods (Basel, Switzerland)
https://www.readbyqxmd.com/read/28230981/high-potency-phenylquinoxalinone-cystic-fibrosis-transmembrane-conductance-regulator-cftr-activators
#4
Jung-Ho Son, Jie S Zhu, Puay-Wah Phuan, Onur Cil, Andrew P Teuthorn, Colton K Ku, Sujin Lee, Alan S Verkman, Mark J Kurth
We previously identified phenylquinoxalinone CFTRact-J027 (4) as a cystic fibrosis transmembrane conductance regulator (CFTR) activator with an EC50 of ~200 nM, and demonstrated its therapeutic efficacy in mouse models of constipation. Here, structure-activity studies were done on 36 synthesized phenylquinoxalinone analogs to identify compounds with improved potency and altered metabolic stability. Synthesis of the phenylquinoxalinone core was generally accomplished by condensation of 1,2-phenylenediamines with substituted phenyloxoacetates...
February 23, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28230363/inhibition-and-stabilization-cucurbituril-induced-distinct-effects-on-the-schiff-base-reaction
#5
Wanjun Gong, Jun Ma, Zhiyong Zhao, Fang Gao, Feng Liang, Haijun Zhang, Simin Liu
The different effects of cucurbit[7]uril (CB[7]) on the Schiff base reactions in aqueous solution were explored by 1H NMR spectroscopy and single X-ray crystallography. With CB[7] the condensation reaction of aldehyde and primary amine is dramatically inhibited. In contrast the presence of CB[7] does tremendously stabilize iminium cation in water through ion-dipole interactions. A single crystal structure of the complex of iminium ion 7 with CB[7] grown in water is reported.
February 23, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28230349/exceptional-anti-icing-performance-of-self-impregnating-slippery-surfaces
#6
Christos Stamatopoulos, Jaroslav Hemrle, Danhong Wang, Dimos Poulikakos
A heat exchange interface at subzero temperature in a water vapor environment, exhibits high probability of frost formation due to freezing condensation, a factor that markedly decreases the heat transfer efficacy due to the considerable thermal resistance of ice. Here we report a novel strategy to delay ice nucleation on these types of solid-water vapor interfaces. With a process-driven mechanism, a self-generated liquid intervening layer immiscible to water, is deposited on a textured superhydrophobic surface and acts as a barrier between the water vapor and the solid substrate...
February 23, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28230294/asymmetric-total-syntheses-of-kopsia-indole-alkaloids
#7
Lingying Leng, Xiaohan Zhou, Qi Liao, Falu Wang, Hao Song, Dan Zhang, Xiao-Yu Liu, Yong Qin
The asymmetric total syntheses of a group of structurally complex Kopsia alkaloids, (-)-kopsine, (-)-isokopsine, (+)-methyl chanofruticosinate, (-)-fruticosine, and (-)-kopsanone, has been achieved. The key strategies for the construction of the molecular complexity in the targets included an asymmetric Tsuji-Trost rearrangement to set the first quaternary carbon center at C20, an intramolecular cyclopropanation by diazo decomposition to install the second and third quaternary carbon centers at C2 and C7, respectively, and a SmI2 -promoted acyloin condensation to assemble the isokopsine core...
February 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28230285/modeling-lung-surfactant-interactions-with-benzo-a-pyrene
#8
Jacek Korchowiec, Anna Stachowicz-Kusnierz, Sonia Trojan, Lukasz Cwiklik, Beata Korchowiec
By reducing surface tension of the air-water interface in alveoli, lung surfactant (LS) is crucial for proper functioning of the lungs. It also forms the first barrier against inhaled pathogens. In this study we inspect the interactions of LS models with a dangerous air pollutant, benzo[a]pyrene (BaP). DPPC, POPC and their 1:1 mixture are used as LS models. Pressure-area isotherms are employed to study macroscopic properties of the monolayers. We find that addition of BaP has a condensing effect, manifested by lowering the values of surface pressure and shifting the isotherms to smaller areas...
February 23, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28230099/pairing-mechanism-in-the-ferromagnetic-superconductor-ucoge
#9
Beilun Wu, Gaël Bastien, Mathieu Taupin, Carley Paulsen, Ludovic Howald, Dai Aoki, Jean-Pascal Brison
Superconductivity is a unique manifestation of quantum mechanics on a macroscopic scale, and one of the rare examples of many-body phenomena that can be explained by predictive, quantitative theories. The superconducting ground state is described as a condensate of Cooper pairs, and a major challenge has been to understand which mechanisms could lead to a bound state between two electrons, despite the large Coulomb repulsion. An even bigger challenge is to identify experimentally this pairing mechanism, notably in unconventional superconductors dominated by strong electronic correlations, like in high-Tc cuprates, iron pnictides or heavy-fermion compounds...
February 23, 2017: Nature Communications
https://www.readbyqxmd.com/read/28229977/non-ribosomal-peptide-synthetases-identifying-the-cryptic-gene-clusters-and-decoding-the-natural-product
#10
Mangal Singh, Sandeep Chaudhary, Dipti Sareen
Non-ribosomal peptide synthetases (NRPSs) and polyketide synthases (PKSs) present in bacteria and fungi are the major multi-modular enzyme complexes which synthesize secondary metabolites like the pharmacologically important antibiotics and siderophores. Each of the multiple modules of an NRPS activates a different amino or aryl acid, followed by their condensation to synthesize a linear or cyclic natural product. The studies on NRPS domains, the knowledge of their gene cluster architecture and tailoring enzymes have helped in the in silico genetic screening of the ever-expanding sequenced microbial genomic data for the identification of novel NRPS/PKS clusters and thus deciphering novel non-ribosomal peptides (NRPs)...
March 2017: Journal of Biosciences
https://www.readbyqxmd.com/read/28229965/atmbd6-a-methyl-cpg-binding-domain-protein-maintains-gene-silencing-in-arabidopsis-by-interacting-with-rna-binding-proteins
#11
Adwaita Prasad Parida, Amrapali Sharma, Arun Kumar Sharma
DNA methylation, mediated by double-stranded RNA, is a conserved epigenetic phenomenon that protects a genome from transposons, silences unwanted genes and has a paramount function in plant or animal development. Methyl CpG binding domain proteins are members of a class of proteins that bind to methylated DNA. The Arabidopsis thaliana genome encodes 13 methyl CpG binding domain (MBD) proteins, but the molecular/biological functions of most of these proteins are still not clear. In the present study, we identified four proteins that interact with AtMBD6...
March 2017: Journal of Biosciences
https://www.readbyqxmd.com/read/28229516/a-direct-link-from-the-gas-to-the-condensed-phase-a-rotational-spectroscopic-study-of-2-2-2-trifluoroethanol-trimers
#12
Javix Thomas, Nathan A Seifert, Wolfgang Jäger, Yunjie Xu
Rotational spectra of the three most stable conformers (I, II, III) of the ternary 2,2,2-trifluoroethanol (TFE) cluster were measured using Fourier transform microwave spectrometers, and unambiguously assigned with the aid of ab initio calculations. The most stable conformer, I, contains one trans-TFE subunit which is unstable in its isolated gas phase form. The study offers new insights into how the trans conformation is stabilized in TFE clusters of increasing size, and eventually becomes a dominant conformation in the liquid phase...
February 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28228067/epigenetic-characteristics-of-the-mitotic-chromosome-in-1d-and-3d
#13
Marlies E Oomen, Job Dekker
While chromatin characteristics in interphase are widely studied, characteristics of mitotic chromatin and their inheritance through mitosis are still poorly understood. During mitosis, chromatin undergoes dramatic changes: transcription stalls, chromatin-binding factors leave the chromatin, histone modifications change and chromatin becomes highly condensed. Many key insights into mitotic chromosome state and conformation have come from extensive microscopy studies over the last century. Over the last decade, the development of 3C-based techniques has enabled the study of higher order chromosome organization during mitosis in a genome-wide manner...
April 2017: Critical Reviews in Biochemistry and Molecular Biology
https://www.readbyqxmd.com/read/28225620/solvent-independent-anharmonicity-for-carbonyl-oscillators
#14
Samuel Hayes Schneider, Huong T Kratochvil, Martin T Zanni, Steven G Boxer
The physical origins of vibrational frequency shifts have been extensively studied in order to understand non-covalent intermolecular interactions in the condensed phase. In the case of carbonyls, vibrational solvatochromism, MD simulations, and vibrational Stark spectroscopy suggest that the frequency shifts observed in simple solvents arises predominately from the environment's electric field due to the vibrational Stark effect. This is contrary to many previously invoked descriptions of vibrational frequency shifts, such as bond polarization, whereby the bond's force constant and/or partial nuclear charges are altered due to the environment, often illustrated in terms of favored resonance structures...
February 22, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28225270/construction-of-the-bacteriochlorin-macrocycle-with-concomitant-nazarov-cyclization-to-form-the-annulated-isocyclic-ring-analogues-of-bacteriochlorophyll-a
#15
Shaofei Zhang, Jonathan S Lindsey
Bacteriochlorophylls contain a bacteriochlorin macrocycle bearing an annulated fifth ring. The fifth ring, termed the isocyclic ring or ring E, is equipped with 13(1)-oxo and 13(2)-carbomethoxy substituents. Herein, a general route to stable, synthetic bacteriochlorophyll analogues is described. Knoevenagel condensation (∼40 mM, rt, CH2Cl2, piperidine/AcOH/molecular sieves) of a dihydrodipyrrin-carboxaldehyde (AD half) and a dihydrodipyrrin substituted with a β-ketoester (BC half) forms a propenone bearing the two halves (a hydrobilin analogue)...
February 22, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28225129/one-pot-conversion-of-biomass-derived-xylose-and-furfural-into-levulinate-esters-via-acid-catalysis
#16
Xun Hu, Shengjuan Jiang, Liping Wu, Shuai Wang, Chun-Zhu Li
Direct conversion of biomass-derived xylose and furfural into levulinic acid, a platform molecule, via acid-catalysis has been accomplished for the first time in dimethoxymethane/methanol. Dimethoxymethane acted as an electrophile to transform furfural into 5-hydroxymethylfurfural (HMF). Methanol suppressed both the polymerisation of the sugars/furans and the Aldol condensation of levulinic acid/ester.
February 22, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28225081/biomolecular-condensates-organizers-of-cellular-biochemistry
#17
REVIEW
Salman F Banani, Hyun O Lee, Anthony A Hyman, Michael K Rosen
Biomolecular condensates are micron-scale compartments in eukaryotic cells that lack surrounding membranes but function to concentrate proteins and nucleic acids. These condensates are involved in diverse processes, including RNA metabolism, ribosome biogenesis, the DNA damage response and signal transduction. Recent studies have shown that liquid-liquid phase separation driven by multivalent macromolecular interactions is an important organizing principle for biomolecular condensates. With this physical framework, it is now possible to explain how the assembly, composition, physical properties and biochemical and cellular functions of these important structures are regulated...
February 22, 2017: Nature Reviews. Molecular Cell Biology
https://www.readbyqxmd.com/read/28225066/scanning-tunneling-microscopy-observation-of-phonon-condensate
#18
Igor Altfeder, Andrey A Voevodin, Michael H Check, Sarah M Eichfeld, Joshua A Robinson, Alexander V Balatsky
Using quantum tunneling of electrons into vibrating surface atoms, phonon oscillations can be observed on the atomic scale. Phonon interference patterns with unusually large signal amplitudes have been revealed by scanning tunneling microscopy in intercalated van der Waals heterostructures. Our results show that the effective radius of these phonon quasi-bound states, the real-space distribution of phonon standing wave amplitudes, the scattering phase shifts, and the nonlinear intermode coupling strongly depend on the presence of defect-induced scattering resonance...
February 22, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28224998/plasmon-assisted-high-harmonic-generation-in-graphene
#19
Joel D Cox, Andrea Marini, F Javier García de Abajo
High-harmonic generation in condensed-matter systems is both a source of fundamental insight into quantum electron motion and a promising candidate to realize compact ultraviolet and ultrafast light sources. While graphene is anticipated to efficiently generate high-order harmonics due to its anharmonic charge-carrier dispersion, experiments performed on extended samples using THz illumination have revealed only a weak effect. The situation is further complicated by the enormous electromagnetic field intensities required by this highly nonperturbative nonlinear optical phenomenon...
February 22, 2017: Nature Communications
https://www.readbyqxmd.com/read/28224794/localized-bond-charge-corrected-cm1a-charges-for-condensed-phase-simulations
#20
Leela S Dodda, Jonah Z Vilseck, Julian Tirado-Rives, William L Jorgensen
The quality of the 1.14*CM1A and 1.20*CM5 charge models was evaluated for calculations of free energies of hydration. For a set of 426 neutral molecules, 1.14*CM1A and 1.20*CM5 yield MADs of 1.26 and 1.20 kcal/mol, respectively. The 1.14*CM1A charges, which can be readily obtained for large systems, exhibit large deviations only for a subset of functional groups. The results for these cases were systematically improved using Localized Bond Charge Corrections (LBCC) by which off-setting adjustments are made to the partial charges for atoms in specified bond types...
February 22, 2017: Journal of Physical Chemistry. B
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