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https://www.readbyqxmd.com/read/28107725/photo-release-of-nitrous-oxide-from-the-hyponitrite-ion-studied-by-infrared-spectroscopy-evidence-for-the-generation-of-a-cobalt-n2o-complex-experimental-and-dft-calculations
#1
M Elizabeth Chacón Villalba, Carlos A Franca, Jorge A Güida
The solid state photolysis of sodium, silver and thallium hyponitrite (M2N2O2, M=Na, Ag, Tl) salts and a binuclear complex of cobalt bridged by hyponitrite ([Co(NH3)5-N(O)-NO-Co(NH3)5](4+)) were studied by irradiation with visible and UV light in the electronic absorption region. The UV-visible spectra for free hyponitrite ion and binuclear complex of cobalt were interpreted in terms of Density Functional Theory calculations in order to explain photolysis behavior. The photolysis of each compound depends selectively on the irradiation wavelength...
January 10, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28107683/altering-intra-to-inter-molecular-hydrogen-bonding-by-dimethylsulfoxide-a-tddft-study-of-charge-transfer-for-coumarin-343
#2
Xiaochun Liu, Hang Yin, Hui Li, Ying Shi
DFT and TDDFT methods were carried out to investigate the influences of intramolecular and intermolecular hydrogen bonding on excited state charge transfer for coumarin 343 (C343). Intramolecular hydrogen bonding is formed between carboxylic acid group and carbonyl group in C343 monomer. However, in dimethylsulfoxide (DMSO) solution, DMSO 'opens up' the intramolecular hydrogen bonding and forms solute-solvent intermolecular hydrogen bonded C343-DMSO complex. Analysis of frontier molecular orbitals reveals that intramolecular charge transfer (ICT) occurs in the first excited state both for C343 monomer and complex...
January 12, 2017: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://www.readbyqxmd.com/read/28107662/a-simple-and-powerful-co-delivery-system-based-on-ph-responsive-metal-organic-frameworks-for-enhanced-cancer-immunotherapy
#3
Fei Duan, Xiaochen Feng, Xinjian Yang, Wentong Sun, Yi Jin, Huifang Liu, Kun Ge, Zhenhua Li, Jinchao Zhang
Tumor-associated antigens (TAAs)-loaded nanoparticles are able to be actively internalized by antigen-presenting cells (APCs) and have shown promising potential in cancer immunotherapy. However, current TAAs delivery strategy exhibits limitations of complicated synthesis process, low loading efficiency and inefficient CD8(+) cytotoxic T lymphocyte activation leading to unsatisfactory therapeutic effect. Thus, the construction of novel TAAs-delivery systems for enhanced cancer therapy is highly desirable. In this work, we fabricated a very simple yet powerful antigens-delivery system for cancer immunotherapy based-on pH-responsive metal-organic frameworks (MOFs) with size about 30 nm...
January 11, 2017: Biomaterials
https://www.readbyqxmd.com/read/28107621/a-molecular-dynamics-study-of-water-flow-across-multiple-layers-of-pristine-oxidized-and-mixed-regions-of-graphene-oxide
#4
Jon Alexander Lewis Willcox, Hyung J Kim
A molecular dynamics graphene oxide model is used to shed light on commonly overlooked features of graphene oxide membranes. The model features both perpendicular and parallel water flow across multiple sheets of pristine and/or oxidized graphene to simulate "brick-and-mortar" microstructures. Additionally, regions of pristine/oxidized graphene overlap which have thus far been overlooked in the literature are explored. Differences in orientational and hydrogen-bonding features between adjacent layers of water in this mixed region are found to be even more prominent than differences between pristine and oxidized channels...
January 20, 2017: ACS Nano
https://www.readbyqxmd.com/read/28107178/influence-of-structure-of-lactones-with-the-methylcyclohexene-and-dimethylcyclohexene-ring-on-their-biotransformation-and-antimicrobial-activity
#5
Katarzyna Wińska, Małgorzata Grabarczyk, Wanda Mączka, Barbara Żarowska, Gabriela Maciejewska, Mirosław Anioł
The aim of this article is influence of the structure of lactones with the methylcyclohexene and dimethylcyclohexene ring on their biotransformation and antimicrobial activity. This work was based on the general remark that even the smallest change in the structure of a compound can affect its biological properties. The results of the biotransformation of four bicyclic unsaturated lactones with one or two methyl groups in the cyclohexene ring was tested using fifteen fungal strains (Fusarium species, Penicillium species, Absidia species, Cunninghamella japonica, and Pleurotus ostreatus) and five yeast strains (Yarrowia lipolytica, Rhodorula marina, Rhodorula rubra, Candida viswanathii, and Saccharomyces cerevisiae)...
January 20, 2017: Zeitschrift Für Naturforschung. C, A Journal of Biosciences
https://www.readbyqxmd.com/read/28107174/biological-bases-of-human-musicality
#6
Carla Perrone-Capano, Floriana Volpicelli, Umberto di Porzio
Music is a universal language, present in all human societies. It pervades the lives of most human beings and can recall memories and feelings of the past, can exert positive effects on our mood, can be strongly evocative and ignite intense emotions, and can establish or strengthen social bonds. In this review, we summarize the research and recent progress on the origins and neural substrates of human musicality as well as the changes in brain plasticity elicited by listening or performing music. Indeed, music improves performance in a number of cognitive tasks and may have beneficial effects on diseased brains...
January 20, 2017: Reviews in the Neurosciences
https://www.readbyqxmd.com/read/28107020/rhodium-iii-catalyzed-ortho-halogenations-of-n-acylsulfoximines-and-synthetic-applications-toward-functionalized-sulfoximine-derivatives
#7
Ying Cheng, Wanrong Dong, Kanniyappan Parthasarathy, Carsten Bolm
Rhodium(III)-catalyzed ortho brominations and iodinations of N-acylsulfoximines by C-H bond activations have been developed. Subsequent product functionalizations involving cross-coupling reactions provide alkynylated sulfoximine derivatives and benzothiazines with wide potential for further synthetic applications.
January 20, 2017: Organic Letters
https://www.readbyqxmd.com/read/28107019/oxidation-reduction-condensation-of-diazaphosphites-for-carbon-heteroatom-bond-formation-based-on-mitsunobu-mechanism
#8
Hai Huang, Jun Yong Kang
An efficient oxidation-reduction condensation reaction of diazaphosphites with various nonacidic pronucleophiles in the presence of DIAD as a weak oxidant has been developed for carbon-heteroatom bond formation. This mild process affords structurally diverse tertiary amines, secondary amines, esters, ethers, and thioethers in moderate to excellent yields. The selective synthesis of secondary amines from primary amines has been achieved. Importantly, a practical application to the synthesis of antiparkinsonian agent piribedil has been demonstrated...
January 20, 2017: Organic Letters
https://www.readbyqxmd.com/read/28107018/structure-wettability-and-thermal-stability-of-organic-thin-films-on-gold-generated-from-the-molecular-self-assembly-of-unsymmetrical-oligo-ethylene-glycol-spiroalkanedithiols
#9
Pawilai Chinwangso, Han Ju Lee, Andrew C Jamison, Maria D Marquez, Chul Soon Park, T Randall Lee
Organic thin-films on gold were prepared from a set of new, custom-designed bidentate alkanethiols possessing a mixture of normal alkane and methoxy-terminated tri(ethyleneglycol) chains. The new unsymmetrical spiroalkanedithiol adsorbates were of the form [CH3O(CH2CH2O)3(CH2)5]-[CH3(CH2)n+1]C[CH2SH]2 where n = 3 and 14; designated EG3C7-C7 and EG3C7-C18, respectively. Their corresponding self-assembled monolayers (SAMs) on gold were characterized and compared with monothiol SAMs derived from an analogous normal alkanethiol (C18SH) and an alkanethiol terminated with an oligo(ethylene glycol) (OEG) moiety (i...
January 20, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28107017/cooperative-binding-in-a-phosphine-oxide-based-halogen-bonded-dimer-drives-supramolecular-oligomerization
#10
Leonardo Maugeri, Tomas Lebl, David B Cordes, Alexandra M Z Slawin, Douglas Philp
Triphenylphosphine oxide forms halogen-bonded (XB) complexes with pentafluoroiodobenzene and a 1,4-diaryl-5-iodotriazole. The stability of these complexes is assessed computationally and by 31P NMR spectroscopy in d8-toluene solution, where they are both complexes are weakly associated. This knowledge is applied to the design and synthesis of two self-complementary phosphine oxide-iodotriazole hybrids that incorporate a phosphine oxide XB acceptor and a 1,4-diphenyl-5-iodotriazole XB donor within the same molecule...
January 20, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28107010/phase-equilibria-of-water-co2-and-water-n-alkane-mixtures-from-polarizable-models
#11
Hao Jiang, Ioannis George Economou, Athanassios Z Panagiotopoulos
Phase equilibria of water/CO2 and water/n-alkane mixtures over a range of temperatures and pressures were obtained from Monte Carlo simulations in the Gibbs ensemble. Three sets of Drude-type polarizable models for water, namely the BK3, GCP, and HBP models, were combined with a polarizable Gaussian charge CO2 (PGC) model to represent the water/CO2 mixture. The HBP water model describes hydrogen bonds between water and CO2 explicitly. All models underestimate CO2 solubility in water if standard combining rules are used for the dispersion interactions between water and CO2 ...
January 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28107007/chlorophyll-catalyzed-visible-light-mediated-synthesis-of-tetrahydroquinolines-from-n-n-dimethylanilines-and-maleimides
#12
Jun-Tao Guo, Da-Cheng Yang, Zhi Guan, Yan-Hong He
Natural pigment chlorophyll was used as a green photosensitizer for the first time in a visible light photoredox catalysis for the efficient synthesis of tetrahydroquinolines from N,N-dimethylanilines and maleimides in an air atmosphere. The reaction involves direct cyclization via sp3 C-H bond functionalization process to afford products in moderate to high yields (61-98%) from a wide range of substrates with a low loading of chlorophyll under mild conditions. This work demonstrates the potential benefits of chlorophyll as photosensitizer in visible light catalysis...
January 20, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28107004/microviscosity-offered-by-ionic-liquids-and-ionic-liquid-glycol-mixtures-is-probe-dependent
#13
Anu Kadyan, Siddharth Pandey
Interactions present within the solubilizing media constituted of ionic liquids (ILs) govern the outcomes of chemical processes carried out within such media by controlling the behavior of solutes dissolved therein. Fluidity afforded by IL-based media, in this context, not only reveals interactions present within the system, it also helps decide whether the system is suitable for an application. Response of spectroscopic microviscosity probes dissolved in IL and IL-based solvents, in this regard, reveals information on both solute-solvent and solvent-solvent interactions present within the system...
January 20, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28106993/mild-aliphatic-and-benzylic-hydrocarbon-c-h-bond-chlorination-using-trichloroisocyanuric-acid-tcca
#14
Sascha H Combe, Abolfazl Hosseini, Alejandro Parra, Peter R Schreiner
We present the controlled monochlorination of aliphatic and benzylic hydrocarbons with only one equivalent of substrate at 25-30 °C using N-hydroxyphthalimide (NHPI) as radical initiator and commercially available trichloroisocyanuric acid (TCCA) as the chlorine source. Catalytic amounts of CBr4 reduced the reaction times considerably due to the formation of chain-carrying •CBr3 radicals. Benzylic C-H chlorination affords moderate to good yields for arenes carrying electron-withdrawing (50-85%) or weakly electron-donating groups (31-73%); cyclic aliphatic substrates provide low yields (24-38%)...
January 20, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28106985/transparent-window-vibrational-probes-for-the-characterization-of-proteins-with-high-structural-and-temporal-resolution
#15
Ramkrishna Adhikary, Jörg Zimmermann, Floyd E Romesberg
Vibrational spectroscopy provides a direct route to the physicochemical characterization of molecules. While both IR and Raman spectroscopy have been used for decades to provide detailed characterizations of small molecules, similar studies with proteins are largely precluded due to spectral congestion. However, the vibrational spectra of proteins do include a "transparent window", between ∼1800 and ∼2500 cm(-1), and progress is now being made to develop site-specifically incorporated carbon-deuterium (C-D), cyano (CN), thiocyanate (SCN), and azide (N3) "transparent window vibrational probes" that absorb within this window and report on their environment to facilitate the characterization of proteins with small molecule-like detail...
January 20, 2017: Chemical Reviews
https://www.readbyqxmd.com/read/28106933/carbatriphyrin-3-1-1-displays-distinct-coordination-approach-of-biii-to-generate-organoborane-and-weak-c-h%C3%A2-b-interactions
#16
Alagar Srinivasan, B Adinarayana, Ajesh P Thomas, Prerna Yadav, Vanga Mukundam
The carbatriphyrin(3.1.1) is the structural isomer of biphenylcorrole and achieved by switching the bonding mode of biphenyl unit from 3,3' to 2,3' which turns the corrole into triphyrin analogue. The presence of m-arene unit in the framework restricts the overall conjugation, thus leads to non-aromatic macrocycle. The protonation experiments afford trifluoroacetate ion complex. The coordination chemistry reveals that the bottom approach of boron(III) ion forms weak C-H...B interactions, however top approach stabilizes the organoborane complex and the product distribution relies on the basicity of the proton scavengers...
January 20, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28106798/a-differential-resonant-accelerometer-with-low-cross-interference-and-temperature-drift
#17
Bo Li, Yulong Zhao, Cun Li, Rongjun Cheng, Dengqiang Sun, Songli Wang
Presented in this paper is a high-performance resonant accelerometer with low cross-interference, low temperature drift and digital output. The sensor consists of two quartz double-ended tuning forks (DETFs) and a silicon substrate. A new differential silicon substrate is proposed to reduce the temperature drift and cross-interference from the undesirable direction significantly. The natural frequency of the quartz DETF is theoretically calculated, and then the axial stress on the vibration beams is verified through finite element method (FEM) under a 100 g acceleration which is loaded on x-axis, y-axis and z-axis, respectively...
January 18, 2017: Sensors
https://www.readbyqxmd.com/read/28106786/sulfolobus-acidocaldarius-udg-can-remove-du-from-the-rna-backbone-insight-into-the-specific-recognition-of-uracil-linked-with-deoxyribose
#18
Gang-Shun Yi, Wei-Wei Wang, Wei-Guo Cao, Feng-Ping Wang, Xi-Peng Liu
Sulfolobus acidocaldarius encodes family 4 and 5 uracil-DNA glycosylase (UDG). Two recombinant S. acidocaldarius UDGs (SacUDG) were prepared and biochemically characterized using oligonucleotides carrying a deaminated base. Both SacUDGs can remove deoxyuracil (dU) base from both double-stranded DNA and single-stranded DNA. Interestingly, they can remove U linked with deoxyribose from single-stranded RNA backbone, suggesting that the riboses on the backbone have less effect on the recognition of dU and hydrolysis of the C-N glycosidic bond...
January 18, 2017: Genes
https://www.readbyqxmd.com/read/28106768/lipid-and-glycolipid-isomer-analyses-using-ultra-high-resolution-ion-mobility-spectrometry-separations
#19
Roza Wojcik, Ian K Webb, Liulin Deng, Sandilya V B Garimella, Spencer A Prost, Yehia M Ibrahim, Erin S Baker, Richard D Smith
Understanding the biological roles and mechanisms of lipids and glycolipids is challenging due to the vast number of possible isomers that may exist. Mass spectrometry (MS) measurements are currently the dominant approach for studying and providing detailed information on lipid and glycolipid presence and changes. However, difficulties in distinguishing the many structural isomers, due to the distinct lipid acyl chain positions, double bond locations or specific glycan types, inhibit the delineation and assignment of their biological roles...
January 18, 2017: International Journal of Molecular Sciences
https://www.readbyqxmd.com/read/28106754/advances-in-solid-state-transformations-of-coordination-bonds-from-the-ball-mill-to-the-aging-chamber
#20
REVIEW
Cristina Mottillo, Tomislav Friščić
Controlling the formation of coordination bonds is pivotal to the development of a plethora of functional metal-organic materials, ranging from coordination polymers, metal-organic frameworks (MOFs) to metallodrugs. The interest in and commercialization of such materials has created a need for more efficient, environmentally-friendly routes for making coordination bonds. Solid-state coordination chemistry is a versatile greener alternative to conventional synthesis, offering quantitative yields, enhanced stoichiometric and topological selectivity, access to a wider range of precursors, as well as to molecules and materials not readily accessible in solution or solvothermally...
January 17, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
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