Bis[3‐(trimethyl­silyl)prop­yl] ethyl­enebisphospho­nate,H2DTMSP[EBP]

The title compound (H₂DTMSP[EBP]), C₁₄H₃₆O₆P₂Si₂, was crystallized by the slow evaporation of a solution in a 20:1 mixture of pentane and acetone. The H₂DTMSP[EBP] mole­cule lies about an inversion center. In the solid state, the mol­ecule exists in an anti configuration, with the mol­ecular backbone C—C bond located on an inversion center. The compound exists in the solid state as hydrogen‐bonded infinite sheets in the ab plane, unlike the methyl­ene analogue, which exists as hydrogen‐bonded infinite chains, demonstrating an `even–odd' effect of the length of the backbone alkyl chain.     

A measurement of neutron-proton bremsstrahlung near 130 MeV

We have measured the double differential cross section for bremsstrahlung production in neutron-proton collisions near 130 MeV. Outgoing nucleons were detected at eight pairs of angles simultaneously. The cross sections agree with several theoretical predictions for those four angle pairs in which the proton emerged at 20° (θ = 20°), but are larger than expected in the four cases that θ_p = 32°. The method of data reduction, and the sources of uncertainty, are discussed in detail.     

Differential cross sections for np and nd elastic scattering near 130 MeV

We have measured the np (nd) elastic scattering cross sections at 25(17) angles in the interval 30°–168° (c.m.), using a neutron beam with a broad spectrum peaked near 130 MeV. At backward angles the outgoing charged particles from a liquid hydrogen (deuterium) target were detected; at forward angles we detected neutrons scattered from a hydrogenated (deuterated) scintillating target. Cross sections have been normalized to the energy dependent solution of the Livermore nucleon-nucleon partial wave analysis, evaluated at 130 MeV. The np measurements represent a marginal improvement on previous work; the nd cross sections show some differences from pd measurements, in agreement with earlier indications at an energy of 152 MeV.     

Further study of the reaction 2H(n,p2n) near 120 MeV

A kinematically complete experiment on the reaction ²H(n, p2n) is described, in which both outgoing neutrons were detected at a lab angle of 30° so as to enhance their final state interaction in a region far from interfering reaction mechanisms. The data were analysed in terms of the Watson-Migdal model to obtain two independent values for the neutron-neutron scattering length. We find a_nn to be ?13.3^+3.8_?3.1 fm (from a comparison with measurements of p-d breakup), and ? 17.5_?4.5^+4.0 fm (from the shape of the relative neutron energy spectrum), thus validating the Watson-Migdal model in this kinematic region.     

A system for the neutron activation analysis of trace elements in samples of biological and environmental interest

A neutron activation, ion exchange group separation and iterative least squares γ-ray spectroscopy method has been evaluated. This technique is suitable for multiple trace element analysis in a wide range of biological and environmental materials, since the major contaminants,²⁴Na,³²P, and⁴²K, are removed by an anion exchange resin and do not interfere with the analysis of the majority of the trace elements present. The iterative least squares method was tested with a mixture of standards. The reproducibility and accuracy varied from 3 to 26%. The larger uncertainties resulted from (1) the limited statistical accuracy associated with a low counting rate, and (2) bias introduced by the contaminants in the library of standard spectra even though radiochemical purity exceeded 99.8%. The rigorous least squares method can accurately compensate for instrumental drifts so that the sensitivity approaches the limit imposed by the statistical accuracy of the data and of the standard spectra. Minor components of the complex γ-spectrum were resolved and proved to be present at levels as low as 0.8% of the integral counting rate.     

Micro-X-ray fluorescence as a general high-throughput screening method for catalyst discovery and small molecule recognition

A powerful high-throughput screening technique is described for the rapid screening of bead-based libraries for catalyst discovery and molecular recognition. Micro-X-ray fluorescence (MXRF) screens materials for elemental composition with mesoscale analysis. This method is nondestructive and requires minimal sample preparation and no special tags for analysis, and the screening time is dependent on the desired sensitivity. The speed, sensitivity, and simplicity of MXRF as a high-throughput screening technique were applied to screen bead-based libraries of oligopeptides for phosphate hydrolysis catalysts and molecular recognition of selective receptors for the degradation products and analogues of chemical warfare agents. This paper demonstrates the analytical or HTS capability of MXRF for combinatorial screening. It is meant only to show the capabilities of MXRF and is not meant as an exhaustive study of the catalyst and molecular recognition systems presented.     

A nonpeptidic cathepsin S activity-based probe for noninvasive optical imaging of tumor-associated macrophages

Macrophage infiltration into tumors has been correlated with poor clinical outcome in multiple cancer types. Therefore, tools to image tumor-associated macrophages could be valuable for diagnosis and prognosis of cancer. Herein, we describe the synthesis and characterization of a cathepsin S-directed, quenched activity-based probe (qABP), BMV083. This probe makes use of an optimized nonpeptidic scaffold leading to enhanced in vivo properties relative to previously reported peptide-based probes. In a syngeneic breast cancer model, BMV083 provides high tumor-specific fluorescence that can be visualized using noninvasive optical imaging methods. Furthermore, analysis of probe-labeled cells demonstrates that the probe primarily targets macrophages with an M2 phenotype. Thus, BMV083 is a potential valuable in vivo reporter for tumor-associated macrophages that could greatly facilitate the future studies of macrophage function in the process of tumorigenesis.     

Design Rules for Metal-Organic Framework Stability in High-Pressure Hydrogen Environments

Stability of metal-organic frameworks (MOFs) under hydrogen is of particular importance for a diverse range of applications, including catalysis, gas separations, and hydrogen storage. Hydrogen in gaseous form is known to be a strong reducing agent and can potentially react with the secondary building units of a MOF and decompose the porous framework structure. Moreover, rapid pressure swings expected in vehicular hydrogen storage could create significant mechanical stresses within MOF crystals that cause partial or complete pore collapse. In this work, we examined the stability of a structurally representative suite of MOFs by testing them under both static (70 MPa) and dynamic hydrogen exposure (0.5 to 10 MPa, 1000 pressure cycles) at room temperature. We aim to provide stability information for development of near room-temperature hydrogen storage media based on MOFs and suggest framework design rules to avoid materials unstable for hydrogen storage under relevant technical conditions.