The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr.

The vibrational nonlinear dynamics of HOBr in the bending and O-Br stretching coordinates with anharmonicity and Fermi 2:1 coupling are studied with dynamical potentials in this article. The result shows that the H-O stretching vibration mode has significantly different effects on the coupling between the O-Br stretching mode and the H-O-Br bending mode under different Polyad numbers. The dynamical potentials and the corresponding phase space trajectories are obtained when the Polyad number is 27, for instance, and the fixed points in the dynamical potentials of HOBr are shown to govern the various quantal environments in which the vibrational states lie.

Differential analysis of camphor wood products by desorption atmospheric pressure chemical ionization mass spectrometry.

In the course of this study, desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS) was applied to readily acquire the mass spectral fingerprints of camphor wood and other wood samples under ambient conditions. Characteristic natural analytes, such as camphor and geraniol, were successfully detected in their protonated form and then identified by tandem mass spectrometry (MS(n)). Further principal component analysis (PCA) and cluster analysis (CA) of the mass spectrometric results allow a confident discrimination of camphor wood products from inferior/fake ones.

Thermal dissociation atmospheric chemical ionization ion trap mass spectrometry with a miniature source for selective trace detection of dimethoate in fruit juices.

A miniature thermal dissociation atmospheric chemical ionization (TDCI) source, coupled with LTQ-MS, has been developed for rapid trace detection of pesticide residues such as dimethoate in highly viscous fruit juice samples. Instead of toxic organic solvents and the high electric field used in the conventional ionizations, an ionic liquid, a "green solvent", was employed to directly generate reagent ions in the TDCI process, followed by the proton or charge transfer with the analytes prior to the LTQ instrument for mass analysis. Trace amounts of dimethoate in fresh orange juices have been quantitatively detected, without any sample pretreatment or aid of high-pressure gas.

One-pot synthesis of 2-phenylimidazo[1,2-α]pyridines from acetophenone, [Bmim]Br(3) and 2-aminopyridine under solvent-free conditions.

One-pot synthesis of 2-phenylimidazo[1,2-α]pyridines from acetophenone, [Bmim]Br(3) and 2-aminopyridine under solvent-free conditions in the presence of Na(2)CO(3), gave the corresponding 2-phenylimidazo[1,2-α]pyridines in excellent yields ranging from 72% to 89%.

Energy distributions of electrons emitted from reflection-mode Cs-covered GaAs photocathodes.

By calculating the energy distributions of electrons reaching the photocathode surface and solving the Schrödinger equation for an electron tunneling through the surface potential barrier, we have obtained an equation to calculate the energy distributions of electrons emitted from reflection-mode Cs-covered GaAs photocathodes based on a two-minima diffusion model. According to the equation, we studied the effects of incident photon energies, diffusion lengths, and surface potential barrier on the electron energy distributions. The equation was also used to fit the measured electron energy distribution curves and the cathode performance parameters were obtained from the fitting.

Sensitive ionization of non-volatile analytes using protein solutions as spray liquid in desorption electrospray ionization mass spectrometry.

Rationale: Desorption electrospray ionization (DESI) is the most popular ambient ionization technique for direct analysis of complex samples without sample pretreatment. However, for many applications, especially for trace analysis, it is of interest to improve the sensitivity of DESI-mass spectrometry (MS).

Methods: In traditional DESI-MS, a mixture of methanol/water/acetic acid is usually used to generate the primary ions.

A microporous metal-organic framework containing an exceptional four-connecting 4(2)6(4) topology and a combined effect for highly selective adsorption of CO2 over N2.

Reported here is a new microporous metal-organic framework, namely [Zn(2)(L)(btc)(Hbtc)] [NH(2)(CH(3))(2)]·(DMF)(2)(H(2)O)(4) (1), which is synthesized solvo(hydro)thermally by the self-assembly of Zn(NO(3))(2), N(4),N(4)-di(pyridin-3-yl)-[1,1'-biphenyl]-4,4'-dicarboxamide (L) and 1,3,5-benzenetricarboxylate acid (H(3)btc). Its topology can be described as a four-connecting 4(2)6(4) matrix containing both tetrahedral metal and ligand nodes. Interestingly, such a matrix has the same topology symbol as that observed in the well known sodalite (SOD) net, but the td10 of 434 is different from the td10 of 791 for the SOD net, indicative of an exceptional four-connecting 4(2)6(4) net.

Promising long-lasting phosphor material: a novel metal-organic framework showing intriguing luminescent performance.

A distinct way to target long-lasting phosphors (LLPs) is disclosed. This new material is a metal-organic framework featuring a 1D zig-zag chain and 3D hydrogen bonded PtS net with three-fold interpenetration. It exhibits persistent luminescence lasting about 1 s which can be traced by the naked eye.

Solvent-induced supramolecular isomers, structural diversity, and unprecedented in situ formation of both inorganic and organic ions in inorganic-organic mercury(II) complexes.

Reported here is, for the first time, an important study of solvent effect on structural diversity in inorganic-organic mercury(II) complexes. As a result, the first supramolecular isomer in mercury(II) complexes is obtained. Importantly, a previously unobserved in situ generation of both inorganic (Cl(-)) and organic ([CH(3)-L1-CH(3)](2+)) ions was also observed.

A self-catenated network containing unprecedented 0D + 2D → 2D polycatenation array.

Herein, we report a new acylamide ligand and its application in the construction of a metal-organic framework. The resultant acylamide metal-organic framework, namely [Zn(2)(L)(OH)(btc)](n) (1, L = N(1),N(4)-bis(pyridin-3-ylmethyl) naphthalene-1,4-dicarboxamide, H(3)btc = benzene-1,3,5-tricarboxylic acid), was obtained by hydrothermal synthesis. The outstanding structural feature of it is the 0D + 2D → 2D polycatenation array containing a self-catenated feature which has never previously been observed.

Application of ionic liquids in the microwave-assisted extraction of pectin from lemon peels.

Microwave-assisted extraction of pectin from lemon peels by using ionic liquid as alternative solvent was investigated. The extracted pectin was detected by Fourier transform infrared spectra. The extraction conditions were optimized through the different experiments in conjunction with the response surface methodology.

A series of 1D Dy(III) compound showing slow magnetic relaxation: synthesis, structure, and magnetic studies.

In this work, we present the synthesis, structure, and magnetic studies of three 1D homo-spin Dy(III) compounds in detail. For 1, one crystallography-independent Dy(III) site is contained and the coordination surrounding is a distorted square-antiprism geometry. Within 2, four crystallography-independent Dy(III) sites with largely distorted square-antiprism geometry are observed.

Direct analysis of biological samples using extractive electrospray ionization mass spectrometry (EESI-MS).

Mass spectrometry (MS) is one of the most widely used techniques for the analysis of biological samples. In the past decade, a novel improvement in MS was the invention of ambient ionization which stands out owing to its unique capability of direct analysis of complex samples with no or minimal pretreatment. In this review, extractive electrospray ionization (EESI), a representative ambient ionization technique, is introduced focusing on its mechanism, instrumentation, and applications in biological analysis.

The application of single-crystal-to-single-crystal transformation towards adjustable SMM properties.

Reversible single-crystal-to-single-crystal transformation (SCSC) was for the first time observed between 4f-based molecular magnets.

Chiral 1D Dy(III) compound showing slow magnetic relaxation.

Herein, we present one chiral Dy(III) compound, namely Dy(L)(3)(1, HL = 2-methylbenzoic acid), synthesized from the achiral HL ligand. Within 1, along a direction the seven-coordinated Dy(III) ion are bridged by double L carboxylate and single L oxygen to give rise to the 1D helical chain. The magnetic studies suggest small intra-chain ferromagnetic interactions.

Selective adsorption of uranium(VI) from aqueous solutions using the ion-imprinted magnetic chitosan resins.

The ion-imprinted magnetic chitosan resins (IMCR) prepared using U(VI) as a template and glutaraldehyde as a cross-linker showed higher adsorption capacity and selectivity for the U(VI) ions compared with the non-imprinted magnetic chitosan resins (NIMCR) without a template. The results showed that the adsorption of U(VI) on the magnetic chitosan resins was affected by the initial pH value, the initial U(VI) concentration, as well as the temperature. Both kinetics and thermodynamic parameters of the adsorption process were estimated.

Coupling corona discharge for ambient extractive ionization mass spectrometry.

Unlike the extractive electrospray ionization (EESI) technique described elsewhere, a corona discharge instead of electrospray ionization has been utilized to charge a neutral solvent spray under ambient conditions for the generation of highly charged microdroplets, which impact a neutral sample plume for the extractive ionization of the analytes in raw samples without any sample pretreatment. Using the positive ion mode, molecular radical cations were easily generated for the detection of non-polar compounds (e.g.

Effect of different epitaxial structures on GaAs photoemission.

The quantum efficiency equations of two different structure reflection-mode GaAs photocathodes with back interface recombination velocity have been solved from the diffusion equations. One structure consists of GaAs substrate and an epitaxial GaAs active layer (GaAs-GaAs) and another structure consists of GaAs substrate, an epitaxial AlGaAs buffer layer, and a GaAs active layer (AlGaAs-GaAs). The experimental results show that the quantum efficiency of long-wavelength photons and the integral sensitivities for GaAs-GaAs cathodes both increase with the increase in the active layer thickness, which is due to the increase of electron diffusion length.

Unusual cold crystallization behavior in physically aged poly(L-lactide).

A comparative study of cold crystallization behavior in poly(L-lactide) (PLLA) annealed below and just above the glass transition temperature (T(g)) has been conducted. Annealing benefits the generation of local order and the subsequent cold crystallization process, which becomes significant in PLLA annealed just above T(g). Surprisingly, morphological observation reveals high density nuclei in PLLA annealed below T(g), contrary to its relatively slow crystallization kinetics.

Neutral desorption extractive electrospray ionization mass spectrometry for fast screening sunscreen agents in cream cosmetic products.

High throughput analysis of sunscreen agents present in cream cosmetic has been demonstrated, typically 2 samples per minute, using neutral desorption extractive electrospray ionization mass spectrometry (ND-EESI-MS) without sample pretreatment. For the targeted compounds such as 4-Aminobenzoic acid and oxybenzone, ND-EESI-MS method provided linear signal responses in the range of 1-100 ppb. Limits of detection (LOD) of the method were estimated at sub-ppb levels for the analytes tested.

Direct detection of native proteins in biological matrices using extractive electrospray ionization mass spectrometry.

The high-throughput and sensitive characterization of native proteins in biological samples is of increasing interest in multiple disciplines. Extractive electrospray ionization (EESI) forms ions of native proteins including lysozyme, α-chymotrypsin, myoglobin, human serum albumin, RNAse A and blood hemoglobin in extremely complex biosamples or PBS buffer solutions by softly depositing charges on the protein molecules. This method produces no significant conformational changes of the proteins in the ion formation process, and features direct detection of trace proteins present in biological matrices.

FT-IR and XRD analysis of natural Na-bentonite and Cu(II)-loaded Na-bentonite.

Na-bentonite has been studied extensively because of its strong adsorption capacity and complexation ability. In this work, surface area, total pore volume, mean pore diameter, TG, DTA, FT-IR and XRD were carried out in order to reveal the characteristics of natural Na-bentonite. XRD and FT-IR of natural Na-bentonite (China) and Cu-loaded Na-bentonite as a function of Na-bentonite dosage and temperature using batch technique were characterized in detail, respectively.

Differentiation of human kidney stones induced by melamine and uric acid using surface desorption atmospheric pressure chemical ionization mass spectrometry.

Clinically obtained human kidney stones of different pathogenesis were dissolved in acetic acid/methanol solutions and then rapidly analyzed by surface desorption atmospheric pressure chemical ionization mass spectrometry (SDAPCI-MS) without any desalination treatment. The mass spectral fingerprints of six groups of kidney stone samples were rapidly recorded in the mass range of m/z 50-400. A set of ten melamine-induced kidney stone samples and nine uric acid derived kidney stone samples were successfully differentiated from other groups by principal component analysis of SDAPCI-MS fingerprints upon positive-ion detection mode.

Sinapine detection in radish taproot using surface desorption atmospheric pressure chemical ionization mass spectrometry.

Plant research and natural product detection are of sustainable interests. Benefited by direct detection with no sample preparation, sinapine, a bioactive chemical usually found in various seeds of Brassica plants, has been unambiguously detected in radish taproot (Raphanus sativus) tissue using a liquid-assisted surface desorption atmospheric pressure chemical ionization mass spectrometry (DAPCI-MS). A methanol aqueous solution (1:1) was nebulized by a nitrogen sheath gas toward the corona discharge, resulting in charged ambient small droplets, which affected the radish tissue for desorption/ionization of analytes on the tissue surface.