Fast Water Transport in UTSA-280 via a Knock-Off Mechanism.

Water and other small molecules frequently coordinate within metal-organic frameworks (MOFs). These coordinated molecules may actively engage in mass transfer, moving together with the transport molecules, but this phenomenon has yet to be examined. In this study, we explore a unique water transfer mechanism in UTSA-280, where an incoming water molecule can displace a coordinated molecule for mass transfer.

Direct investigation of the reorientational dynamics of A-site cations in 2D organic-inorganic hybrid perovskite by solid-state NMR.

Limited methods are available for investigating the reorientational dynamics of A-site cations in two-dimensional organic-inorganic hybrid perovskites (2D OIHPs), which play a pivotal role in determining their physical properties. Here, we describe an approach to study the dynamics of A-site cations using solid-state NMR and stable isotope labelling. H NMR of 2D OIHPs incorporating methyl-d-ammonium cations (d-MA) reveals the existence of multiple modes of reorientational motions of MA.

Keyword extraction and structuralization of medical reports.

Purpose: In recent years, patients usually accept more accurate and detailed examinations because of the rapid advances in medical technology. Many of the examination reports are not represented in numerical data, but text documents written by the medical examiners based on the observations from the instruments and biochemical tests. If the above-mentioned unstructured data can be organized as a report in a structured form, it will help doctors to understand a patient's status of the various examinations more efficiently.

Biophysical characterization and modulation of Transthyretin Ala97Ser.

Objective: Ala97Ser (A97S) is the major transthyretin (TTR) mutation in Taiwanese patients of familial amyloid polyneuropathy (FAP), characterized by a late-onset but rapidly deteriorated neuropathy. Tafamidis can restore the stability of some mutant TTR tetramers and slow down the progression of TTR-FAP. However, there is little understanding of the biophysical features of A97S-TTR mutant and the pharmacological modulation effect of tafamidis on it.

Membrane Charging and Swelling upon Calcium Adsorption as Revealed by Phospholipid Nanodiscs.

Direct binding of calcium ions (Ca) to phospholipid membranes is an unclarified yet critical signaling pathway in diverse Ca-regulated cellular phenomena. Here, high-pressure-liquid-chromatography, small-angle X-ray scattering (SAXS), UV-vis absorption, and differential refractive index detections are integrated to probe Ca-binding to the zwitterionic lipid membranes in nanodiscs. The responses of the membranes upon Ca-binding, in composition and conformation, are quantified through integrated data analysis.

Optimization of the Production of Covalently Circularized Nanodiscs and Their Characterization in Physiological Conditions.

Lipid nanodiscs are widely used platforms for studying membrane proteins in a near-native environment. Lipid nanodiscs made with membrane scaffold proteins (MSPs) in the linear form have been well studied. Recently, a new kind of nanodisc made with MSPs in the circular form, referred to as covalently circularized nanodiscs (cNDs), has been reported to have some possible advantages in various applications.

New insights into Keggin-type 12-tungstophosphoric acid from 31P MAS NMR analysis of absorbed trimethylphosphine oxide and DFT calculations.

The acid and transport properties of the anhydrous Keggin-type 12-tungstophosphoric acid (H(3)PW(12)O(40); HPW) have been studied by solid-state (31)P magic-angle spinning NMR of absorbed trimethylphosphine oxide (TMPO) in conjunction with DFT calculations. Accordingly, (31)P NMR resonances arising from various protonated complexes, such as TMPOH(+) and (TMPO)(2)H(+) adducts, could be unambiguously identified. It was found that thermal pretreatment of the sample at elevated temperatures (≥423 K) is a prerequisite for ensuring complete penetration of the TMPO guest probe molecule into HPW particles.

31P chemical shift of adsorbed trialkylphosphine oxides for acidity characterization of solid acids catalysts.

A comprehensive study has been made to predict the adsorption structures and (31)P NMR chemical shifts of various trialkylphosphine oxides (R3PO) probe molecules, viz., trimethylphosphine oxide (TMPO), triethylphosphine oxide (TEPO), tributylphosphine oxide (TBPO), and trioctylphosphine oxide (TOPO), by density functional theory (DFT) calculations based on 8T zeolite cluster models with varied Si-H bond lengths. A linear correlation between the (31)P chemical shifts and proton affinity (PA) was observed for each of the homologous R3PO probe molecules examined.