Quantitative near-infrared spectroscopy of cervical dysplasia in vivo

The aims of this study were: (i) to quantify near-infrared optical properties of normal cervical tissues and high-grade squamous intra-epithelial lesions (H-SIL); (ii) to assess the feasibility of differentiating normal cervical tissues from H-SIL on the basis of these properties; and (iii) to determine how cervical tissue optical properties change following photodynamic therapy (PDT) of H-SIL in vivo. Using the frequency domain photon migration technique, non-invasive measurements of normal and dysplastic ecto-cervical tissue optical properties, i.e. absorption (μa) and effective scattering coefficients, and physiological parameters, i.e. tissue water and haemoglobin concentration, percentage oxygen saturation (%SO2), were performed on 10 patients scheduled for PDT of histologically-proven H-SIL. Cervix absorption and effective scattering parameters were up to 15% lower in H-SIL sites compared with normal cervical tissue for all wavelengths studied (674, 811, 849, 956 nm). Following PDT, all μa values increased significantly, due to elevated tissue blood and water content associated with PDT-induced hyperaemia and oedema. Tissue total haemoglobin concentration ([TotHb]) and arterio-venous oxygen saturation measured in H-SIL sites were lower than normal sites ([TotHb]: 88.6 ± 35.8 μmol/l versus 124.7 ± 22.6 μmol/l; %SO2: 76.5 ± 14.7% versus 84.9 ± 3.4%

High H2 Sorption Energetics in Zeolitic Imidazolate Frameworks

A combined experimental and theoretical study of H2 sorption was carried out on two isostructural zeolitic imidazolate frameworks ZIFs , namely ZIF 68 and ZIF 69. The former consists of Zn2 ions that are coordinated to two 2 nitroimidazolate and two benzimidazolate linkers in a tetrahedral fashion, while 5 chlorobenzimidazolate is used in place of benzimidazolate in the latter compound. H2 sorption measurements showed that the two ZIFs display similar isotherms and isosteric heats of adsorption Qst . The experimental initial H2 Qst value for both ZIFs was determined to be 8.1 kJ mol 1, which is quite high for materials that do not contain exposed metal centers. Molecular simulations of H2 sorption in ZIF 68 and ZIF 69 confirmed the similar H2 sorption properties between the two ZIFs, but also suggest that H2 sorption is slightly favored in ZIF 68 with regards to uptake at 77 K 1.0 atm. This work also presents inelastic neutron scattering INS spectra for H2 sorbed in ZIFs for the first time. The spectra for ZIF 68 and ZIF 69 show a broad range of intensities starting from about 4 meV. The most favorable H2 sorption site in both ZIFs corresponds to a confined region between two adjacent 2 nitroimidazolate linkers. Two dimensional quantum rotation calculations for H2 sorbed at this site in ZIF 68 and ZIF 69 produced rotational transitions that are in accord with the lowest energy peak observed in the INS spectrum for the respective ZIFs. We found that the primary binding site for H2 in the two ZIFs generates high barriers to rotation for the adsorbed H2, which are greater than those in several metal organic frameworks MOFs which possess open metal sites. H2 sorption was also observed for both ZIFs in the vicinity of the nitro groups of the 2 nitroimidazolate linkers. This study highlights the constructive interplay of experiment and theory to elucidate critical details of the H2 sorption mechanism in these two isostructural ZIF

Confirmation of Anomalous Dynamical Arrest in attractive colloids: a molecular dynamics study

Previous theoretical, along with early simulation and experimental, studies have indicated that particles with a short-ranged attraction exhibit a range of new dynamical arrest phenomena. These include very pronounced reentrance in the dynamical arrest curve, a logarithmic singularity in the density correlation functions, and the existence of `attractive' and `repulsive' glasses. Here we carry out extensive molecular dynamics calculations on dense systems interacting via a square-well potential. This is one of the simplest systems with the required properties, and may be regarded as canonical for interpreting the phase diagram, and now also the dynamical arrest. We confirm the theoretical predictions for re-entrance, logarithmic singularity, and give the first direct evidence of the coexistence, independent of theory, of the two coexisting glasses. We now regard the previous predictions of these phenomena as having been established.Comment: 15 pages,15 figures; submitted to Phys. Rev.

Regulating C₂H₂/CO₂ adsorption selectivity by electronic-state manipulation of iron in metal-organic frameworks

The separation of C2H2 from C2H2/CO2 mixture is of great importance, yet highly challenging in the petrochemical industry due to their similar physicochemical properties. While open-metal sites (OMSs) in metal-organic frameworks (MOFs) are known to possess high affinity toward C2H2, its selective adsorption performance regulated by the electronic state of the same OMSs remains unexplored. Here, we report a metal electronic-state manipulation approach to construct a pair of isostructural Fe-MOFs, namely LIFM-26(Fe[II]/Fe[III]) and LIFM-27(Fe[III]) with different Fe[II] or Fe[III] oxidation states on the Fe centers, which display mixed-valent Fe[II]/Fe[III] centers in the former and sole Fe[III] centers in the latter. Remarkably, LIFM-26(Fe[II]/Fe[III]) shows significantly enhanced C2H2 uptake capacity than LIFM-27(Fe[III]), attested by adsorption isotherms and IAST calculations, as well as simulated and experimental breakthrough experiments. Furthermore, in situ infrared (IR) and molecular calculations unveil that the presence of Fe[II] in LIFM-26(Fe[II]/Fe[III]) results in stronger Fe[II]–C2H2 interactions than Fe[III]–C2H2, which plays a key role in the C2H2/CO2 separation

Dynamics in Colloidal Liquids near a Crossing of Glass- and Gel-Transition Lines

Within the mode-coupling theory for ideal glass-transitions, the mean-squared displacement and the correlation function for density fluctuations are evaluated for a colloidal liquid of particles interacting with a square-well potential for states near the crossing of the line for transitions to a gel with the line for transitions to a glass. It is demonstrated how the dynamics is ruled by the interplay of the mechanisms of arrest due to hard-core repulsion and due to attraction-induced bond formation as well as by a nearby higher-order glass-transition singularity. Application of the universal relaxation laws for the slow dynamics near glass-transition singularities explains the qualitative features of the calculated time dependence of the mean-squared displacement, which are in accord with the findings obtained in molecular-dynamics simulation studies by Zaccarelli et. al [Phys. Rev. E 66, 041402 (2002)]. Correlation functions found by photon-correlation spectroscopy in a micellar system by Mallamace et. al [Phys. Rev. Lett. 84, 5431 2000)] can be interpreted qualitatively as a crossover from gel to glass dynamics.Comment: 13 pages, 12 figure

Tensor polarization in elastic electron-deuteron scattering in the momentum transfer range 3.8≤Q≤4.6 fm-1

The tensor polarization of the recoil deuteron in elastic electron-deuteron scattering has been measured at the Bates Linear Accelerator Center at three values of four-momentum transfer Q=3.78, 4.22, and 4.62 fm-1, corresponding to incident electron energies of 653, 755, and 853 MeV. The scattered electrons and the recoil deuterons were detected in coincidence. The recoil deuterons were transported to a liquid hydrogen target to undergo a second scattering. The angular distribution of the d→-p scattering was measured using a polarimeter. The polarimeter was calibrated in an auxiliary experiment using a polarized deuteron beam at the Laboratoire National Saturne. A Monte Carlo procedure was used to generate interpolated calibration data because the energy spread in the deuteron energies in the Bates experiment spanned the range of deuteron energies in the calibration experiment. The extracted values of t20 are compared to predictions of different theoretical models of the electromagnetic form factors of the deuteron: nonrelativistic and relativistic nucleon-meson dynamics, Skyrme model, quark models, and perturbative quantum chromodynamics. Along with the world data the structure functions A(Q) and B(Q) are used to separate the charge monopole and charge quadrupole form factors of the deuteron. A node in the charge monopole form factor is observed at Q=4.39±0.16 fm-1

Measurement of tensor polarization in elastic electron-deuteron scattering in the momentum-transfer range 3.8≤q≤4.6 fm-1

The tensor polarization t20 of the recoil deuteron in elastic e-d scattering has been measured for three values of four-momentum transfer, q=3.78, 4.22, and 4.62 fm-1. The data have been used to locate the first node in the charge monopole form factor of the deuteron at q=4.39±0.16 fm-1. The results for t20 are in reasonable agreement with expectations based on the nucleon-meson description of nuclear dynamic

Human infection challenge in the pandemic era and beyond, HIC-Vac annual meeting report, 2022

HIC-Vac is an international network of researchers dedicated to developing human infection challenge studies to accelerate vaccine development against pathogens of high global impact. The HIC-Vac Annual Meeting (3rd and 4th November 2022) brought together stakeholders including researchers, ethicists, volunteers, policymakers, industry partners, and funders with a strong representation from low- and middle-income countries. The network enables sharing of research findings, especially in endemic regions. Discussions included pandemic preparedness and the role of human challenge to accelerate vaccine development during outbreak, with industry speakers emphasising the great utility of human challenge in vaccine development. Public consent, engagement, and participation in human challenge studies were addressed, along with the role of embedded social science and empirical studies to uncover social, ethical, and regulatory issues around human infection challenge studies. Study volunteers shared their experiences and motivations for participating in studies. This report summarises completed and ongoing human challenge studies across a variety of pathogens and demographics, and addresses other key issues discussed at the meeting