The Kapitza resistance (Rk) at the water-carbon nanotube (CNT) interface, with water on the inside of the nanotube, was investigated using molecular dynamics simulations. We propose a new equilibrium molecular dynamics (EMD) method, also valid in the weak flow regime, to determine the Kapitza resistance in a cylindrical nanoconfinement system where nonequilibrium molecular dynamics (NEMD) methods are not suitable. Androgen Receptor Antagonist The proposed method is independent of the correlation time compared to Green-Kubo-based methods, which only work in short correlation time intervals. Rk between the CNT and the confined water strongly depends on the diameter of the nanotube and is found to decrease with an increase in the CNT diameter, the opposite to what is reported in the literature when water is on the outside of the nanotube. Rk is furthermore found to converge to the planar graphene surface value as the number of water molecules per unit surface area approaches the value in the graphene surface and a higher overlap of the vibrational spectrum. A slight increase in Rk with the addition of the number of CNT walls was observed, whereas the chirality and flow do not have any impact.The effect of macromolecular crowding on the stability of proteins can change with temperature. This dependence might reveal a delicate balance between two factors the entropic excluded volume and the stability-modulating quinary interactions. Here we computationally investigate the thermal stability of the native state of chymotrypsin inhibitor 2 (CI2), which was previously shown by experiments to be destabilized by protein crowders at room temperature. Mimicking experimental conditions, our enhanced-sampling atomistic simulations of CI2 surrounded by lysozyme and bovine serum albumin reproduce this destabilization but also provide evidence of a crossover temperature above which lysozyme is found to become stabilizing, as previously predicted by analysis of thermodynamic data. We relate this crossover to the different CI2-crowder interactions and the local packing experienced by CI2. In fact, we clearly show that the pronounced stabilization induced by lysozyme at high temperatures stems from the tight local packing created around CI2 by this smaller crowder.We investigated the influence of an n-alkyl-PEO polymer on the structure and dynamics of phospholipid vesicles. Multilayer formation and about a 9% increase in the size in vesicles were observed by cryogenic transmission electron microscopy (cryo-TEM), dynamic light scattering (DLS), and small-angle neutron/X-ray scattering (SANS/SAXS). The results indicate a change in the lamellar structure of the vesicles by a partial disruption caused by polymer chains, which seems to correlate with about a 30% reduction in bending rigidity per unit bilayer, as revealed by neutron spin echo (NSE) spectroscopy. Also, a strong change in lipid tail relaxation was observed. Our results point to opportunities using synthetic polymers to control the structure and dynamics of membranes, with possible applications in technical materials and also in drug and nutraceutical delivery.Microsupercapacitors (MSCs) have drawn great attention for use as miniaturized electrochemical energy storage devices in portable, wearable, as well as implantable electronics. Many materials have been developed as electrodes for MSCs. However, the thin-film fabrication for most of these materials involves multistep operations, including filtration, spray coating, and sputtering. Most importantly, these methods present challenges for the preparation of thin films at the atomic or molecular scale. Therefore, the understanding of performance of ultrathin-film-based MSCs remains challenge. Herein, a B/N-enriched polymer film is successfully prepared using the photoassisted interfacial approach. The as-synthesized polymer film exhibits typical semiconductive characteristics and can be easily scaled up to a large area of up to tens of square centimeters. This ultrathin polymer film can be directly transferred to silicon wafers to fabricate MSC through laser scribing. The prepared MSC exhibits specific volumetric capacitance as high as 20.9 F cm-3, corresponding to volumetric energy density of 2.9 mWh cm-3 (at 0.1 V s-1). Moreover, the volumetric power density can reach 1461 W cm-3, surpassing most existing semiconductive polymer film-based MSC devices. In addition, the prepared MSC exhibits typical AC line-filtering ability (-67° at 120 Hz). This study offers a facile interfacial approach to preparing semiconductive polymer films with aromatic moieties for microsized energy storage devices.Meleagrin B is a terpene-alkaloid hybrid natural product that contains both the conidiogenone and meleagrin scaffold. Their derivatives show diverse biological activities. We characterized the biosynthesis of (-)-conidiogenone B (1), which involves a diterpene synthase and a P450 monooxygenase. In addition, an α,β-hydrolase (Con-ABH) was shown to catalyze an aza-Michael addition between 1 and imidazole to give 3S-imidazolyl conidiogenone B (6). Compound 6 was more potent than 1 against Staphylococcus aureus strains.A novel late-stage solubilization of peptides using hydrazides is described. A solubilizing tag was attached through a selective N-alkylation at a hydrazide moiety with the aid of a 2-picoline-borane complex in 50% acetic acid-hexafluoro-2-propanol. The tag, which tolerates ligation and desulfurization conditions, can be detached by a Cu-mediated selective oxidative hydrolysis of the N-alkyl hydrazide. This new method was validated through the synthesis of HIV-1 protease.Morphology control represents an important strategy for the development of functional nanomaterials and has yet to be achieved in the case of promising lead-free double perovskite materials so far. In this work, high-quality Cs2AgBiX6 (X = Cl, Br, I) two-dimensional nanoplatelets were synthesized through a newly developed synthetic procedure. By analyzing the optical, morphological, and structural evolutions of the samples during synthesis, we elucidated that the growth mechanism of lead-free double perovskite nanoplatelets followed a lateral growth process from mono-octahedral-layer (half-unit-cell in thickness) cluster-based nanosheets to multilayer (three to four unit cells in thickness) nanoplatelets. Furthermore, we demonstrated that Cs2AgBiBr6 nanoplatelets possess a better performance in photocatalytic CO2 reduction compared with their nanocube counterpart. Our work demonstrates the first example with two-dimensional morphology of this important class of lead-free perovskite materials, shedding light on the synthetic manipulation and the application integration of such promising materials.