Molecule

An integrated micro/nano-fluidic system is presented for protein analysis. It is comprised of an integrated micromixer (IMM) and a preconcentrator with a separation column. The passive and planar type of IMM is based on an unbalanced split and the cross collision of the fluidic streams. The IMM can be easily fabricated and integrated to the microfluidic system. The preconcentrator has nanochannels formed by the electrical breakdown of polydimethylsiloxane (PDMS) membrane by applying a high electrical shock, but without any nano-lithography. The integrated microdevice was used for sample preparation (mixing with tagging molecules) and subsequent concentration of proteins. Proteins were electrokinetically trapped near the junction of the micro/nanochannels. We show a conceptual design and a simple microfluidic system for purposes of mixing and preconcentration. Figure Mixing and preconcentration of dissolved proteins using an integrated micro/nano-fluidic system

Molecularly imprinted polymers (MIPs) are tailor-made polymers with high selectivity for a given analyte, or group of structurally related compounds. The influence of the process parameters (the moles of functional monomer and cross-linker, the selection of functional monomer and solvent) on the preparation of oseltamivir (OS)-imprinted polymers was investigated. A mathematical method for uniform design to optimize these selected parameters and to increase the MIP selectivity for template molecules was applied. The optimal conditions to synthesize MIP were 0.69 mmol 30% acrylamide (AA) + 70% 4-Vinylpyridine (4-VP) and 5.0 mmol ethylene glycol dimethacrylate (EGDMA) copolymerized in 5 ml toluene in the presence of 0.1 mmol OS. MIP showed high affinity and selectivity for separation of the template molecule from other compounds. In the present study, we have established an effective LC-MS/MS method to identify and quantify OS with good sensitivity, accuracy and precision. Figure A Complexation; B polymerization and template removal; C MIP has high affinity to template molecule; D MIP has some affinity to template molecule analog; E MIP has no affinity to other chemicals with different type from template molecule. a Template molecule; b template molecule analog; c other chemicals

Platinum-based heterogeneous catalysts are critical to many important commercial chemical processes, but their efficiency is extremely low on a per metal atom basis, because only the surface active-site atoms are used. Catalysts with single-atom dispersions are thus highly desirable to maximize atom efficiency, but making them is challenging. Here we report the synthesis of a single-atom catalyst that consists of only isolated single Pt atoms anchored to the surfaces of iron oxide nanocrystallites. This single-atom catalyst has extremely high atom efficiency and shows excellent stability and high activity for both CO oxidation and preferential oxidation of CO in H2. Density functional theory calculations show that the high catalytic activity correlates with the partially vacant 5d orbitals of the positively charged, high-valent Pt atoms, which help to reduce both the CO adsorption energy and the activation barriers for CO oxidation.

Apigenin, a naturally occurring plant flavone, abundantly present in common fruits and vegetables, is recognized as a bioactive flavonoid shown to possess anti-inflammatory, antioxidant and anticancer properties. Epidemiologic studies suggest that a diet rich in flavones is related to a decreased risk of certain cancers, particularly cancers of the breast, digestive tract, skin, prostate and certain hematological malignancies. It has been suggested that apigenin may be protective in other diseases that are affected by oxidative process, such as cardiovascular and neurological disorders, although more research needs to be conducted in this regard. Human clinical trials examining the effect of supplementation of apigenin on disease prevention have not been conducted, although there is considerable potential for apigenin to be developed as a cancer chemopreventive agent.

Mass spectrometry has recently undergone a second contemporary revolution with the introduction of a new group of desorption/ionization (DI) techniques known collectively as ambient mass spectrometry. Performed in an open atmosphere directly on samples in their natural environments or matrices, or by using auxiliary surfaces, ambient mass spectrometry (MS) has greatly simplified and increased the speed of MS analysis. Since its debut in 2004 there has been explosive growth in the applications and variants of ambient MS, and a very comprehensive set of techniques based on different desorption and ionization mechanisms is now available. Most types of molecules with a large range of masses and polarities can be ionized with great ease and simplicity with the outstanding combination of the speed, selectivity, and sensitivity of MS detection. This review describes and compares the basis of ionization and the concepts of the most promising ambient MS techniques known to date and illustrates, via typical analytical and bioanalytical applications, how ambient MS is helping to bring MS analysis deeper than ever into the “real world” open atmosphere environment—to wherever MS is needed. Figure Schematic of EASI

In this review, we discuss the impact of the development of lasers on ultracold atoms and molecules and their applications. After a brief historical review of laser cooling and Bose-Einstein condensation, we present important applications of ultra cold atoms, including time and frequency metrology, atom interferometry and inertial sensors, atom lasers, simulation of condensed matter systems, production and study of strongly correlated systems, and production of ultracold molecules.

Growth and guidance of neurites (axons and dendrites) during development is the prerequisite for the establishment of functional neural networks in the adult organism. In the adult, mechanisms similar to those used during development may regulate plastic changes that underlie important nervous system functions, such as memory and learning. There is now ever-increasing evidence that extracellular matrix (ECM)-associated factors are critically involved in the formation of neuronal connections during development, and their plastic changes in the adult. Here, we review the current literature on the role of ECM components in activity-dependent synaptic development and plasticity, with the major focus on the thrombospondin type I repeat (TSR) domain-containing proteins. We propose that ECM components may modulate neuronal development and plasticity by: 1) regulating cellular motility and morphology, thus contributing to structural alterations that are associated with the expression of synaptic plasticity, 2) coordinating transsynaptic signaling during plasticity via their cell surface receptors, and 3) defining the physical parameters of the extracellular space, thereby regulating diffusion of soluble signaling molecules in the extracellular space (ECS). Birth Defects Research (Part C) 72:12–24, 2004. © 2004 Wiley-Liss, Inc.

Solar fuel production often starts with the energy from light being absorbed by an assembly of molecules; this electronic excitation is subsequently transferred to a suitable acceptor. For example, in photosynthesis, antenna complexes capture sunlight and direct the energy to reaction centres that then carry out the associated chemistry. In this Review, we describe the principles learned from studies of various natural antenna complexes and suggest how to elucidate strategies for designing light-harvesting systems. We envisage that such systems will be used for solar fuel production, to direct and regulate excitation energy flow using molecular organizations that facilitate feedback and control, or to transfer excitons over long distances. Also described are the notable properties of light-harvesting chromophores, spatial-energetic landscapes, the roles of excitonic states and quantum coherence, as well as how antennas are regulated and photoprotected.

The irreducible characters of a finite group are determined uniquely by those of a minimal set of maximal subgroups. The method is based on the construction of all class functions which are irreducible characters on every maximal subgroup. These are generalized characters by a theorem of Brauer, so that the irreducible characters are obtained by checking the norm. An alternative characterization of irreducible characters, the Maximum Mixing Rule, works for all point symmetry groups, and its physical significance is discussed. As an example, the character tables for all point symmetry groups and crystal double-groups are constructed in this way.

We analyzed solute and solvent dynamics of sugars and peptides aqueous solutions using extended depolarized light scattering (EDLS) and broadband dielectric spectroscopies (BDS). Spectra measured with both techniques reveal the same mechanism of rotational diffusion of peptides molecules. In the case of sugars, this solute reorientational relaxation can be isolated by EDLS measurements, whereas its contribution to the dielectric spectra is almost negligible. In the presented analysis, we characterize the hydration water in terms of hydration number and retardation ratio ξ between relaxation times of hydration and bulk water. Both techniques provide similar estimates of ξ. The retardation imposed on the hydration water by sugars is ~3.3 ± 1.3 and involves only water molecules hydrogen-bonded (HB) to solutes (~3 water molecules per sugar OH-group). In contrast, polar peptides cause longer range perturbations beyond the first hydration shell, and ξ between 2.8 and 8, increasing with the number of chemical groups engaged in HB formation. We demonstrate that chemical heterogeneity and specific HB interactions play a crucial role in hydration dynamics around polar solutes. The obtained results help to disentangle the role of excluded volume and enthalpic contributions in dynamics of hydration water at the interface with biological molecules.

Acetylcholinesterase (AChE) is a well-described enzyme involved in neurocommunication and is a target for the organophosphate and carbamate classes of insecticides. An increased awareness of environmental protection, health concerns, and conservation efforts has seen AChE ...

BEYOND CHEMICAL BOUNDARIES: A CONCEPTUAL PROFILE FOR MOLECULE AND MOLECULAR STRUCTURE. The concepts of molecule and of molecular structure are so central to understand chemical phenomena that seems to be no doubt about the uniqueness of its meanings. Nevertheless, the idea that the world exhibits a multiform structure and that to different spheres of the world correspond different ways of knowing (Berger & Luckmann, 1967) has received support from different areas of scientific inquiry. Bachelard (1940, 1982) showed that a single philosophical doctrine is not enough to describe all the different ways of thinking when we try to explain a single concept. Wooley's question about the possibility of deducing the concept of molecular structure from quantum theory (Wooley, 1978) strengthened the feasibility of thinking the concept of molecule as a profile that encompasses different meanings. Moreover, research on students' learning of scientific concepts have brought to light that students use several ideas to explain scientific and everyday phenomena which are different from those learned in formal schooling. These ideas are not extinguished or replaced by scientific concepts, despite the efforts to do so in science classes. The common sense and scientific ways of understanding and talking about reality seems to be complementary in the same sense of the Bohr's complementarity (Halliday & Martin, 1993). So, we have to include in our profile of the concept of molecule not only scientific but also common sense zones. Drawing from Bachelard's notion of epistemological profile, from the history of science and from the research on children's ideas in science, we have developed the idea of a conceptual profile and used it to analyse basic scientific concepts, such as the concepts of matter and physical states of matter (Mortimer, 1995) and to investigate new ways to teach them. In the present paper, we will discuss the zones that might constitute a conceptual profile of molecule. The need of complementary views to account for the molecular structure in different contexts bring important issues for understanding and teaching chemistry, which will be discussed further in the article.

Exact solution of Schrodinger equation for the pseudoharmonic potential is obtained for an arbitrary angular momentum. The energy eigenvalues and corresponding eigenfunctions are calculated by Nikiforov-Uvarov method. Wavefunctions are expressed in terms of Jacobi polynomials. The energy eigenvalues are calculated numerically for some values of l and n with n<5 for some diatomic molecules.

We report the case of BMS-488043-PVP solid dispersions which when analysed using modulated DSC showed compliance with the Gordon–Taylor model, confirming ideal mixing behaviour of the two components. The nature or presence of stabilising interactions between drug and PVP could not be confirmed using this technique. Use of FT-IR, Raman and solid-state NMR spectroscopy confirmed the presence of stabilising hydrogen bond interactions between the drug and PVP. Similar interactions are present as intermolecular bonds in the crystalline and pure amorphous drug system. The Gordon–Taylor equation, as it is not predictive of the presence of intermolecular bonds such as hydrogen bonding in an amorphous dispersion, may underestimate the likely physical stability of solid dispersions which are produced and stabilised by these interactions. © 2009 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 98:3456–3468, 2009