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Physical Chemistry

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https://www.readbyqxmd.com/read/28634602/recent-advances-in-the-computational-chemistry-of-soft-porous-crystals
#1
Guillaume Fraux, François-Xavier Coudert
Here we highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of these systems: the high flexibility of their frameworks, the large-scale structural changes upon external physical or chemical stimulation, and the presence of defects and disorder. The wide variety of behavior demonstrated in soft porous crystals, including the topical class of metal-organic frameworks, opens new challenges for computational chemistry methods at all scales...
June 21, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28633854/an-investigation-of-lipase-catalysed-sonochemical-synthesis-a-review
#2
REVIEW
Sneha R Bansode, Virendra K Rathod
Ultrasonic irradiation has recently gained attention of researchers for its process intensification in numerous reactions. Earlier ultrasound was known for its application either to deactivate enzyme activity or to disrupt the cell. However, in recent years, practice of ultrasonic irradiation began to emerge as a tool for the activation of the enzymes under mild frequency conditions. The incorporation of ultrasound in any of enzymatic reactions not only increases yield but also accelerates the rate of reaction in the presence of mild conditions with better yield and less side-products...
September 2017: Ultrasonics Sonochemistry
https://www.readbyqxmd.com/read/28623662/advances-in-the-analysis-of-water-and-wastewater-samples-using-various-sensing-protocols-and-microfluidic-devices-based-on-pad-and-%C3%AE-tas-systems
#3
Krzysztof Piaskowski, Renata Świderska-Dąbrowska, Aleksandra Kaleniecka, Paweł K Zarzycki
The main goal of this review is to summarize practical approaches concerning the application of microfluidic systems for the analysis of various biomarkers and pollutants, as well as microbes, in water and wastewater matrixes. This problem involves multidisciplinary expertise combining research knowledge from various areas, including wet chemistry, biochemistry, physical chemistry, molecular biology, genetics, signal processing, microelectronics material science, and separation science. It has been documented that fairly primitive but fast and inexpensive screening methods involving paper-based analytical devices (PADs) and micro total analytical systems (μTAS) can be considered as serious alternatives to their more advanced counterparts such as GC, HPLC, and capillary electrophoresis coupled to various sophisticated detectors (e...
June 16, 2017: Journal of AOAC International
https://www.readbyqxmd.com/read/28621927/hemocompatibility-of-degrading-polymeric-biomaterials-degradable-polar-hydrophobic-ionic-polyurethane-d-phi-vs-poly-lactic-co-glycolic-acid-plga
#4
Kathryne Saini Brockman, Benjamin F L Lai, Jayachandran N Kizhakkedathu, J Paul Santerre
The use of degradable polymers in vascular tissue regeneration has sparked the need to characterize polymer biocompatibility during degradation. While tissue compatibility has been frequently addressed, studies on polymer hemocompatibility during degradation are limited. The current study evaluated the differences in hemocompatibility (platelet response, complement activation, and coagulation cascade initiation) between as-made and hydrolyzed poly(lactic-co-glycolic) acid (PLGA) and degradable polar hydrophobic ionic polyurethane (D-PHI)...
June 16, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28621537/electrochemical-deposition-of-conformal-and-functional-layers-on-high-aspect-ratio-silicon-micro-nanowires
#5
Tuncay Ozel, Benjamin Zhang, Ruixuan Gao, Robert W Day, Charles M Lieber, Daniel G Nocera
Development of new synthetic methods for the modification of nanostructures has accelerated materials design advances to furnish complex architectures. Structures based on one-dimensional (1D) silicon (Si) structures using top-down and bottom-up methods are especially prominent for diverse applications in chemistry, physics, and medicine. Yet further elaboration of these structures with distinct metal-based and polymeric materials, which could open up new opportunities, has been difficult. We present a general electrochemical method for the deposition of conformal layers of various materials onto high aspect ratio Si micro- and nanowire arrays...
June 16, 2017: Nano Letters
https://www.readbyqxmd.com/read/28621376/current-and-future-directions-in-electron-transfer-chemistry-of-graphene
#6
REVIEW
Amir Kaplan, Zhe Yuan, Jesse D Benck, Ananth Govind Rajan, Ximo S Chu, Qing Hua Wang, Michael S Strano
The participation of graphene in electron transfer chemistry, where an electron is transferred between graphene and other species, encompasses many important processes that have shown versatility and potential for use in important applications. Examples of these processes range from covalent functionalization of graphene to modify its properties and incorporate different functional groups, to electrochemical reactions and selective etching. In this paper, we review recent developments in these areas of the electron transfer chemistry of graphene...
June 16, 2017: Chemical Society Reviews
https://www.readbyqxmd.com/read/28621134/surfactant-and-binder-free-hierarchical-platinum-nanoarrays-directly-grown-onto-a-carbon-felt-electrode-for-efficient-electrocatalysis
#7
Widya Ernayati Kosimaningrum, Thi-Xuan-Huong Le, Yaovi Holade, Mikhael Bechelany, Sophie Tingry, Buchari Buchari, Indra Noviandri, Christophe Innocent, Marc Cretin
The future of fuel cells that convert the chemical energy to electricity relies mostly on the efficiency of oxygen reduction reaction (ORR) due to its sluggish kinetics. By effectively bypassing the use of organic surfactants, post-synthesis steps for the immobilization onto electrodes, the catalytic inks preparation using binders, and the common problem of nanoparticles detachment from supports involved in traditional methodologies, we demonstrate a versatile electrodeposition method for growing anisotropic microstructures directly onto a three-dimensional (3D) carbon felt electrode, using platinum nanoparticles as elementary building blocks...
June 16, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28620711/evaluating-expected-outcomes-of-acid-remediation-in-an-intensively-mined-appalachian-watershed
#8
Andrew S Watson, George T Merovich, J Todd Petty, J Brady Gutta
Assessments of watershed-based restoration efforts are rare but are essential for the science of stream restoration to advance. We conducted a watershed scale assessment of Abram Creek before and after implementation of a watershed-based plan designed to maximize ecological recovery from acid mine drainage (AMD) impairment. We surveyed water chemistry, physical habitat, benthic macroinvertebrates, and fish community structure in three stream types: AMD-impacted (14 streams), AMD-treated (13 streams), and unimpaired reference (4 streams)...
July 2017: Environmental Monitoring and Assessment
https://www.readbyqxmd.com/read/28619715/liquefied-gas-electrolytes-for-electrochemical-energy-storage-devices
#9
Cyrus S Rustomji, Yangyuchen Yang, Tae Kyoung Kim, Jimmy Mac, Young Jin Kim, Elizabeth Caldwell, Hyeseung Chung, Y Shirley Meng
Electrochemical capacitors and Li-ion batteries have seen little change in their electrolyte chemistry since their commercialization which has limited improvements in device performance. Combining superior physical and chemical properties and a high dielectric-fluidity factor, the use of electrolytes based on solvent systems which exclusively use components which are typically gaseous under standard conditions show a wide potential window of stability and excellent performance over an extended temperature range...
June 15, 2017: Science
https://www.readbyqxmd.com/read/28618993/new-perspectives-on-biomedical-applications-of-iron-oxide-nanoparticles
#10
Massimiliano Magro, Davide Baratella, Emanuela Bonaiuto, Jessica de Almeida Roger, Fabio Vianello
Iron oxide nanomaterials are considered promising tools for improved therapeutic efficacy and diagnostic applications in biomedicine. Accordingly, engineered iron oxide nanomaterials are increasingly proposed in biomedicine, and the interdisciplinary researches involving physics, chemistry, biology (nanotechnology) and medicine have led to exciting developments in the last decades. The progresses of the development of magnetic nanoparticles with tailored physico-chemical and surface properties produced a variety of clinically relevant applications, spanning from magnetic resonance imaging (MRI), drug delivery, magnetic hyperthermia, to in vitro diagnostics...
June 16, 2017: Current Medicinal Chemistry
https://www.readbyqxmd.com/read/28618573/%C3%AE-cyclodextrin-polymer-binding-to-dna-modulating-the-physicochemical-parameters
#11
J C B Rocha, E F Silva, M F Oliveira, F B Sousa, A V N C Teixeira, M S Rocha
Cyclodextrins and cyclodextrins-modified molecules have interesting and appealing properties due to their capacity to host components that are normally insoluble or poorly soluble in water. In this work, we investigate the interaction of a β-cyclodextrin polymer (poly-β-CD) with λ-DNA. The polymers are obtained by the reaction of β-CD with epichlorohydrin in alkaline conditions. We have used optical tweezers to characterize the changes of the mechanical properties of DNA molecules by increasing the concentration of poly-β-CD in the sample...
May 2017: Physical Review. E
https://www.readbyqxmd.com/read/28617676/interactions-between-low-energy-electrons-and-dna-a-perspective-from-first-principles-simulations
#12
Jorge Jose Kohanoff, Maeve McAllister, Gareth Tribello, Bin Gu
DNA damage caused by irradiation has been studied for many decades. Such studies allow us to better assess the dangers posed by radiation, and to increase the efficiency of the radiotherapies that are used to combat cancer. A full description of the irradiation process involves multiple size and time scales. It starts from the interaction of radiation -- either photons or swift ions -- with the biological medium. Such interactions cause electronic excitation and ionisation. The two main products of ionising radiation are thus electrons and radicals...
June 15, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28610424/single-molecule-chemistry-with-surface-and-tip-enhanced-raman-spectroscopy
#13
Alyssa B Zrimsek, Naihao Chiang, Michael Mattei, Stephanie Zaleski, Michael O McAnally, Craig T Chapman, Anne-Isabelle Henry, George C Schatz, Richard P Van Duyne
Single-molecule (SM) surface-enhanced Raman spectroscopy (SERS) and tip-enhanced Raman spectroscopy (TERS) have emerged as analytical techniques for characterizing molecular systems in nanoscale environments. SERS and TERS use plasmonically enhanced Raman scattering to characterize the chemical information on single molecules. Additionally, TERS can image single molecules with subnanometer spatial resolution. In this review, we cover the development and history of SERS and TERS, including the concept of SERS hot spots and the plasmonic nanostructures necessary for SM detection, the past and current methodologies for verifying SMSERS, and investigations into understanding the signal heterogeneities observed with SMSERS...
June 14, 2017: Chemical Reviews
https://www.readbyqxmd.com/read/28609470/physical-fitness-and-plasma-leptin-in-women-with-recent-gestational-diabetes
#14
C Gar, M Rottenkolber, H Grallert, F Banning, I Freibothe, V Sacco, C Wichmann, S Reif, A Potzel, V Dauber, C Schendell, N N Sommer, B Wolfarth, J Seissler, A Lechner, U Ferrari
AIMS/HYPOTHESIS: Low physical fitness (PF) is a risk factor for type 2 diabetes mellitus (T2D). Women with a history of gestational diabetes (GDM) are at risk for T2D at a young age, but the role of PF in this population is not clear. PF has also been found to correlate inversely with plasma leptin in previous studies. Here, we examine whether women who had GDM have lower PF than women after a normoglycemic pregnancy and, second, whether PF is associated with plasma leptin, independently of body fat mass...
2017: PloS One
https://www.readbyqxmd.com/read/28608673/organic-donor-acceptor-complexes-as-novel-organic-semiconductors
#15
Jing Zhang, Wei Xu, Peng Sheng, Guangyao Zhao, Daoben Zhu
Organic donor-acceptor (DA) complexes have attracted wide attention in recent decades, resulting in the rapid development of organic binary system electronics. The design and synthesis of organic DA complexes with a variety of component structures have mainly focused on metallicity (or even superconductivity), emission, or ferroelectricity studies. Further efforts have been made in high-performance electronic investigations. The chemical versatility of organic semiconductors provides DA complexes with a great number of possibilities for semiconducting applications...
June 13, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28606044/the-formation-mechanism-of-hydrogels
#16
Liyan Lu, Shiliang Yuan, Jing Wang, Yun Shen, Shuwen Deng, Luyang Xie, Qixiang Yang
Hydrogels are degradable polymeric networks, in which cross-links play a vital role in structure formation and degradation. Cross-linking is a stabilization process in polymer chemistry that leads to the multi-dimensional extension of polymeric chains, resulting in network structures. By cross-linking, hydrogels are formed into stable structures that differ from their raw materials. Generally, hydrogels can be prepared from either synthetic or natural polymers. Based on the types of cross-link junctions, hydrogels can be categorized into two groups: the chemically cross-linked and the physically cross-linked...
June 12, 2017: Current Stem Cell Research & Therapy
https://www.readbyqxmd.com/read/28605917/valence-bond-theory-reveals-the-hidden-delocalized-diradical-character-of-polyenes
#17
Junjing Gu, Wei Wu, David Danovich, Roald Hoffmann, Yuta Tsuji, Sason Shaik
The nature of the electronic-structure of polyenes, their delocalization features and potential diradicaloid characters constitute a fundamental problem in chemistry. To address this problem we used valence bond self-consistent field (VBSCF) calculations and modeling of polyenes, C2nH2n+2 (n = 2-10). The theoretical treatment shows that starting with n = 5, the polyene's wave function is mainly a shifting 1,4-diradicaloid; a character that increases as the chain length increases, while the contribution of the fundamental Lewis structure with alternating double and single bonds (1) decays quite fast and becomes minor relative to the diradicaloid pack...
June 13, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28605177/dna-origami-scaffolds-for-creating-higher-order-structures
#18
Fan Hong, Fei Zhang, Yan Liu, Hao Yan
DNA has become one of the most extensively used molecular building blocks for engineering self-assembling materials. DNA origami is a technique that uses hundreds of short DNA oligonucleotides, called staple strands, to fold a long single-stranded DNA, which is called a scaffold strand, into various designer nanoscale architectures. DNA origami has dramatically improved the complexity and scalability of DNA nanostructures. Due to its high degree of customization and spatial addressability, DNA origami provides a versatile platform with which to engineer nanoscale structures and devices that can sense, compute, and actuate...
June 12, 2017: Chemical Reviews
https://www.readbyqxmd.com/read/28603416/successful-in-vivo-hyperthermal-therapy-toward-breast-cancer-by-chinese-medicine-shikonin-loaded-thermosensitive-micelle
#19
Yonghua Su, Nian Huang, Di Chen, Li Zhang, Xia Dong, Yun Sun, Xiandi Zhu, Fulei Zhang, Jie Gao, Ying Wang, Kexing Fan, Puichi Lo, Wei Li, Changquan Ling
The Chinese traditional medicine Shikonin is an ideal drug due to its multiple targets to tumor cells. But in clinics, improving its aqueous solubility and tumor accumulation is still a challenge. Herein, a copolymer with tunable poly(N-isopropylacrymaide) and polylactic acid block lengths is designed, synthesized, and characterized in nuclear magnetic resonance. The corresponding thermosensitive nanomicelle (TN) with well-defined core-shell structure is then assembled in an aqueous solution. For promoting the therapeutic index, the physical-chemistry properties of TNs including narrow size, low critical micellar concentration, high serum stability, tunable volume phase transition temperature (VPTT), high drug-loading capacity, and temperature-controlled drug release are systematically investigated and regulated through the fine self-assembly...
2017: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/28602092/in-situ-observation-of-oxygen-vacancy-dynamics-and-ordering-in-the-epitaxial-lacoo3-system
#20
Jae Hyuck Jang, Young-Min Kim, Qian He, Rohan Mishra, Liang Qiao, Michael D Biegalski, Andrew R Lupini, Sokrates T Pantelides, Stephen J Pennycook, Sergei V Kalinin, Albina Y Borisevich
Vacancy dynamics and ordering underpin the electrochemical functionality of complex oxides and strongly couple to their physical properties. In the field of the epitaxial thin films, where connection between chemistry and film properties can be most clearly revealed, the effects related to oxygen vacancies are attracting increasing attention. In this paper, we report a direct, real-time, atomic level observation of the formation of oxygen vacancies in the epitaxial LaCoO3 thin films and heterostructures under the influence of the electron beam utilizing scanning transmission electron microscopy (STEM)...
June 11, 2017: ACS Nano
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