Photodissociation dynamics of H2O at 121.6 nm have been studied using the H atom Rydberg “tagging” time-of-flight technique and by quasiclassical trajectory (QCT) calculations. Product kinetic energy distributions angular measured. From these distributions, rovibronic OH radical product as well state resolved anisotropy parameters were determined. The dissociation D00(H–OH) is determined to be 41151±5 cm−1. Two clear alternations in OH(X,v=0) rotational distribution observed, with each...

Photodissociation of water at a wavelength 121.6 nanometers has been investigated by using the H-atom Rydberg tagging technique. A striking even-odd intensity oscillation was observed in OH(X) product rotational distribution. Model calculations attribute this to an unusual dynamical interference brought about two dissociation pathways that pass through dissimilar conical intersections potential energy surfaces, but result same products. The pattern and OH distribution are sensitive positions...

Nano contrast agents (Nano CA) are nanomaterials used to increase in the medical magnetic resonance imaging (MRI). However, related relaxation mechanism of CA is not clear yet and little significant breakthrough relaxivity enhancement has been achieved. Herein, a new hydrophilic Gd-DOTA complex functionalized with different chain length PEG was synthesized incorporated into graphene quantum dots (GQD) obtain paramagnetic (PGQD). We performed variable-temperature variable-field intensity NMR...

Parahydrogen-induced polarization of 13C nuclei by side-arm hydrogenation (PHIP-SAH) for [1-13C]acetate and [1-13C]pyruvate esters with application PH-INEPT-type pulse sequences 1H to transfer is reported, its efficiency compared that based on magnetic field cycling (MFC). The pulse-sequence approach may have merits in some applications because the entire hyperpolarization procedure implemented directly an NMR or MRI instrument, whereas MFC requires a controlled variation at low fields....

A low background and almost hydrocarbon free (∼1×10−14 Torr) molecular beam apparatus with an improved universal detector, based on electron bombardment ionization, has been constructed for crossed research. Extremely high vacuum (∼1×10−12 the detector’s ionization region is achieved using multiple ultrahigh pumps. In addition to a home-made liquid nitrogen cryopump turbomolecular pump, two stage cryogenic He cold head (∼10 K) used pump region. Using this arrangement, H2 in detector can be...

The energy partition in the products of ethylene photodissociation (including C2H4, C2D4, D2CCH2, cis- and trans-HDCCDH) at 193 157 nm rate constants H loss channels were computed based on ab initio ground-state surfaces which most reported earlier. In calculations partitions, a simple model was used excess above transition state is distributed statistically released by exit barrier described modified impulsive model. H(D) elimination calculated according to variational RRKM...

Photodissociation of H2O, D2O, and HOD on the à 1B1′ surface through 157.6 nm excitation has been studied using H(D) atom Rydberg tagging time-of-flight technique. Vibrational state distribution measured for OH/OD product from photodissociation molecules. Comparisons our results with previous theoretical calculations experimental obtained laser induced fluorescence (LIF) technique have made. Experimental in this work indicate that relative populations vibrationally excited OH(v⩾2) products...

Photodissociation of H2O at 157 nm has been studied using the H atom Rydberg tagging time-of-flight technique. Vibrational state distribution measured for OH product from photodissociation. Comparisons with previous theoretical calculations and experimental results by laser-induced fluorescence (LIF) measurements have made. The in this work indicate that relative populations high vibrationally excited OH(v≧2) products LIF technique are significantly underestimated, suggesting as a to...

The photodissociation dynamics of D2O at 121.6 nm have been studied using the D atom Rydberg “tagging” time-of-flight technique. Product kinetic energy distributions and angular measured. From these distributions, rovibronic OD radical product rotational state-resolved anisotropy parameters determined. dissociation D00 (D–OD) is determined to be 41912±20 cm−1. Alternations population in (X, v=0) distribution, similar those H2O [S. A. Harich et al., J. Chem. Phys. 113, 10 073 (2000)] also...

Double-quantum-filtered NMR and T(1) inversion-recovery spectroscopy were employed to exploit the temperature-dependent dynamics of D(2)O confined in MCM-41. Samples with three pore sizes 1.58, 2.03, 2.34 nm two contents investigated. The reorientation correlation times variously sized pores exhibit different temperature dependencies. results reveal that molecules at fast motion site remain mobile below approximately 225 K a liquid-liquid phase transition occurs around this for all samples...

In this work we present a sensitive J-coupling spectroscopy in one shot using high-Tc superconducting quantum interference devices and flux transformer microtesla fields. the proposed NMR detection scheme precession of proton spin was inductively coupled to SQUID magnetometer. We enhanced SNR signal spectral resolution significantly by applying pre-polarization field 0.045 T. fields where chemical shifts are absent, demonstrate proton–phosphate coupling J3[H,P] = (10.94 ± 0.08) Hz trimethyl...

Biological membranes are complex structures composed of various lipids and proteins. Different membrane compositions affect viscoelastic hydrodynamic properties membranes, which critical to their functions. Lipid bilayer vesicles inserted by cholesterol not only enhance surface motional behavior but also strengthen vesicle stability. Cholesterol-rich similar cell in structure composition. Therefore, cholesterol-rich can represent a typical model for studying dynamics In this study, nuclear...

In this work, photodissociation of O2 at 157 nm has been studied using the photofragmentation translational spectroscopic technique. Two product channels O2+hν→O(1D)+O(3P), O2+hν→O(3P)+O(3P) have observed. The relative yields and anisotropy parameters both are determined. Anisotropy mixing dissociation resulting from a perpendicular excitation parallel-type observed in channel O2+hν→O(3P)+O(3P). results can be used to look detailed dynamical processes through Schumann–Runge band.

Hyperpolarized (HP) propane produced by the parahydrogen-induced polarization (PHIP) technique has been recently introduced as a promising contrast agent for functional lung magnetic resonance (MR) imaging. However, its short lifetime due to spin-lattice relaxation time T1 of less than 1 s in gas phase is significant translational challenge potential biomedical applications. The previously demonstrated approach extending HP state through long-lived spin states allows be increased factor ∼3....

Abstract BCL-2, a key protein in inhibiting apoptosis, has 65-residue-long highly flexible loop domain (FLD) located on the opposite side of its ligand-binding groove. In vivo phosphorylation FLD enhances affinity BCL-2 for pro-apoptotic ligands, and consequently anti-apoptotic activity. However, it remains unknown as to how faraway, unstructured modulates affinity. Here we investigate protein-ligand interactions by fluorescence techniques monitor dynamics DEER NMR spectroscopy tools. We...

Photodissociation dynamics of H2O at 121.6 nm through the B̃ 1A1′ state have been studied using high-resolution H atom Rydberg tagging technique. Experimental evidences show two different dissociation pathways to form ground OH (X,v=0) products: B̃–X̃ conical intersection, and B̃–Ã Coriolis coupling. By preparing molecules higher rotational temperatures, coupling pathway can be enhanced.

Dynamics of water adsorbed on MCM-41 has been investigated by line shape analyses 2H double quantum filtered (DQF) NMR and T1 measurements. From temperature-dependent studies with various loadings MCM-41, it is found that there are three sites for adsorption namely, a "slow site", "fast site I", II". The signal molecules in the slow dominates observed DQF NMR. Fast I adjacent to site, exchangeable these two sites. fast II next I, only I. influence silanol groups surface strongly affects...

Alternative intravesical agents are required to overcome the side effects currently associated with treatment of bladder cancer. This study used an orthotopic cancer mouse model evaluate Guizhi Fuling Wan (GFW) as agent. The GFW were compared those mitomycin-C (Mito-C) and bacille Calmette-Guérin (BCG). We began by evaluating response cell line MB49 treatment, regard viability, cycle progression apoptosis. cells subsequently implanted into urothelial walls in female C57BL/6 mice. success was...

Abstract There is a growing interest in developing paramagnetic nanoparticles as responsive magnetic resonance imaging (MRI) contrast agents, which feature switchable T 1 image of water protons upon biochemical cues for better discerning diseases. However, performing an MRI pragmatically limited by its cost and availability. Hence, facile, routine method measuring the highly desired early‐stage development. This work presents single‐point inversion recovery (IR) nuclear (NMR) that can...

Photodissociation of the H2S molecule at 157.6 nm was studied experimentally using Rydberg tagging technique. Translational energy distributions H-atom product from photodissociation were measured, and SH(X 2Π)+H(2S) channel found to be dominant dissociation process. Spin-orbit rovibrational state also obtained for SH product, which both vibrationally rotationally excited. An intriguing bimodal rotational distribution in lowest two vibrational states, v=0 1, has been clearly observed...