Photothermal-Assisted Optical Stretching of Gold Nanoparticles

The synergy of photothermal energy and optical forces generated by tightly focused laser beams can be used to transform the shape of gold nanoparticles. Here, the combination of these two effects is demonstrated to be an effective way of elongating gold nanoparticles (Au NPs), massively tuning their plasmonic properties. The photothermal effect of the laser increases the temperature of Au NPs above the melting point, and optical forces deform the molten Au NPs. As a result, the shape of Au NPs transforms from nanospheres into nanorods or dimers, depending on the power and time of irradiation as well as the surface energy of the substrate. This process is reversible by using high laser power to transform nanorods back to nanospheres due to capillary dewetting. Such light-induced transformations of nanostructures not only provide a facile way to tune plasmon resonances but also shed light on how the synergistic effect of photothermal energy and optical forces works on plasmonic nanoparticles

The percent cover of aquatic macrophytes in China's large lakes during 1980-2017

In this dataset, we provide the percent cover of aquatic macrophytes in China's large lakes during 1980-2017 at yearly time scales based on the remote sensing imagery interpretation. There are five fields in the dataset provided here: 1.'LAKE_NAME', which provide the name of lakes. 2. 'LON', longitude at the center of each lake. 3. 'LAT', latitude at the center of each lake. 4. 'YEAR', the resolution of our time series is yearly. 5. 'The percent cover of lake macrophytes', which provide the percent cover of lake macrophytes of each lake.</p

JSPR-19-383_Dyadic_Pers_Profile_Supplementary_Tables - Dyadic profiles of personality among older couples: Associations with marital quality

JSPR-19-383_Dyadic_Pers_Profile_Supplementary_Tables for Dyadic profiles of personality among older couples: Associations with marital quality by Shuangshuang Wang, Kyungmin Kim and Jeffrey E. Stokes in Journal of Social and Personal Relationships</p

Thin-Film-Assisted Photothermal Deformation of Gold Nanoparticles: A Facile and In-Situ Strategy for Single-Plate-Based Devices

Optical-induced shape transformation of single nanoparticles on substrates has shown benefits of simplicity and regularity for single-particle device fabrication and on-chip integration. However, most of the existing strategies are based on wet chemical growth and etching, which could lead to surface contamination with limited local selectivity and device compatibility. Shape deformation via the photothermal effect can overcome these issues but has limited versatility and tunability largely due to the high surface tension of the molten droplet. Here we show gold nanoparticles (Au NPs) can drastically transform into nanoplates under the irradiation of a continuous wave laser (446 nm). We reveal the dielectric thin film underneath the molten Au is critical in deforming the NP into faceted nanoplate under the drive of photothermophoretic forces, which is sufficient to counteract the surface tension of the molten droplet. Both experimental evidence and simulations support this thin-film-assisted photothermal deformation mechanism, which is local selective and generally applicable to differently shaped Au NPs. It provides a facile and robust strategy for single-plate-based device applications

Toward Bicalutamide Analogues with High Structural Diversity Using Catalytic Asymmetric Oxohydroxylation

A catalytic enantioselective synthesis of bicalutamide derivatives with promising potentials in prostate cancer treatment has been disclosed. The key intermediates, α-hydroxy-β-keto esters, were efficiently constructed through cinchoninium-mediated asymmetric oxohydroxylation of easily accessible alkenes with potassium permanganate. Good yields and high levels of asymmetric induction are achieved. This method provides a new synthetic route to bicalutamide analogues with high structural diversity, which will beneficially support subsequent structure–activity relationship studies and boost prostate cancer drug development

The Effects of the Solvents on the Macrocyclic Structures: From Rigid Pillararene to Flexible Crown Ether

The differences in the macrocyclic structures lead to different flexibilities, and yet the effect of solvents on the conformations is not clear so far. In this work, the conformations of four representational macrocyclic molecules (pillar[5]arene, p-tert-butyl calix[6]arene, benzylic amide macrocycle and dibenzo-18-crown-6) in three solvents with distinct polarity have been studied by all-atom molecular dynamics simulations. The structural features of the macrocycles in the solvents indicate that the conformations are related to the polarity of the solvents and the formation of hydrogen bonds. For the pillar[5]arene, the benzylic amide macrocycle and the dibenzo-18-crown-6, that cannot form intramolecular hydrogen bonds, the polarity of solvents is the major contributing factor in the conformations. The formation of intramolecular hydrogen bonds, in contrast, determinates the conformations of the calix[6]arene. Furthermore, the slight fluctuations of the structures will result in tremendous change of the intramolecular hydrogen bonds of the macrocycles and the intermolecular hydrogen bonds between the macrocycles and the solvents. The current theoretical studies that serve as a basis for the macrocyclic chemistry are valuable for the efficient structural design of the macrocyclic molecules.</div

Complex Movements in Rotaxanes: Shuttling Coupled with Conformational Transition of Cyclodextrins

In cyclodextrin (CD)-based rotaxanes, the shuttling rate of the macrocycle along the thread is crucial to characterize their function as molecular machines. In general, the composition of the thread and the environment are considered to be important factors affecting the nature of the movement. Yet, the role of ancillary motions on the shuttling rate remains unclear. In the present contribution, two rotaxanes having the same components, yet significantly different shuttling rates between two stable states in an aqueous environment, have been investigated at the atomic level using numerical simulations. These two rotaxanes consist of an axle with two stations linked by a 2-methylpyridinium group and an α-CD sliding on the axle and assuming two different orientations. We found that a number of cyclodextrin glucopyranose units (GLUs) isomerized during shuttling, which we anticipate to affect the shuttling rate. The two-dimensional free-energy landscapes characterizing the isomerization of the GLUs and the shuttling along the thread were mapped and revealed that the energetic barriers hampering spontaneous transition between the two stations significantly differ for the two rotaxanes. Structural analysis shows that this difference mainly arises from steric hindrances caused by the methyl substituent of the pyridinium group, which leads to a different number of the GLUs experiencing conformational change during shuttling. Moreover, the thermodynamic stability of the complex is found to be distinct between the two rotaxanes. This discrepancy may be ascribed to the dipole moment of the complex, which is sensitive to the orientation of CD. It can be concluded that shuttling in the rotaxanes is not only highly coupled with isomerization of GLUs but also affected by thermodynamic stability, resulting in a shuttling rate sensitive to the orientation of the CD. The present results help understand the complex molecular motion in CD-based molecular shuttles, and are expected to serve in the design of molecular filters for selectively screening molecules with a specific orientation

Geochemistry, geochronology and Sr–Nd–Hf isotopes of Paleozoic granitoids in the Chinese Altai, NW China: constraints on the conversion from subduction–accretion to syn/post-collision

Supplementary Table S2. LA–ICP–MS U–Pb isotope data of single zircon and monazite for granitoids from the Altai region

Image_5_Construction and analysis of competing endogenous RNA network and patterns of immune infiltration in abdominal aortic aneurysm.TIF

BackgroundVarious studies have highlighted the role of circular RNAs (circRNAs) as critical molecular regulators in cardiovascular diseases, but its role in abdominal aortic aneurysm (AAA) is unclear. This study explores the potential molecular mechanisms of AAA based on the circRNA-microRNA (miRNA)-mRNA competing endogenous RNA (ceRNA) network and immune cell infiltration patterns.MethodsThe expression profiles of circRNAs (GSE144431) and mRNAs (GSE57691 and GSE47472) were obtained from the Gene Expression Omnibus (GEO). Then, the differentially expressed circRNAs (DEcircRNAs) and mRNAs (DEmRNAs) between AAA patients and healthy control samples, and the target miRNAs of these DEmRNAs and DEcircRNAs were identified. Based on the miRNA-DEmRNAs and miRNA-DEcircRNAs pairs, the ceRNA network was constructed. Furthermore, the proportion of the 22 immune cell types in AAA patients was assessed using cell type identification by estimating relative subsets of RNA transcripts (CIBERSORT) algorithm. The expressions of key genes and immune cell infiltration were validated using clinical specimens.ResultsA total of 214 DEmRNAs were identified in the GSE57691 and GSE47472 datasets, and 517 DEcircRNAs were identified in the GSE144431 dataset. The ceRNA network included 19 circRNAs, 36 mRNAs, and 68 miRNAs. Two key genes, PPARG and FOXO1, were identified among the hub genes of the established protein-protein interaction between mRNAs in the ceRNA network. Moreover, seven types of immune cells were differentially expressed between AAA patients and healthy control samples. Hub genes in ceRNA, such as FOXO1, HSPA8, and RAB5C, positively correlated with resting CD4 memory T cells or M1 macrophages, or both.ConclusionIn conclusion, a ceRNA interaction axis was constructed. The composition of infiltrating immune cells was analyzed in the abdominal aorta of AAA patients and healthy control samples. This may help identify potential therapeutic targets for AAA.</p

Data_Sheet_1_Construction and analysis of competing endogenous RNA network and patterns of immune infiltration in abdominal aortic aneurysm.docx

BackgroundVarious studies have highlighted the role of circular RNAs (circRNAs) as critical molecular regulators in cardiovascular diseases, but its role in abdominal aortic aneurysm (AAA) is unclear. This study explores the potential molecular mechanisms of AAA based on the circRNA-microRNA (miRNA)-mRNA competing endogenous RNA (ceRNA) network and immune cell infiltration patterns.MethodsThe expression profiles of circRNAs (GSE144431) and mRNAs (GSE57691 and GSE47472) were obtained from the Gene Expression Omnibus (GEO). Then, the differentially expressed circRNAs (DEcircRNAs) and mRNAs (DEmRNAs) between AAA patients and healthy control samples, and the target miRNAs of these DEmRNAs and DEcircRNAs were identified. Based on the miRNA-DEmRNAs and miRNA-DEcircRNAs pairs, the ceRNA network was constructed. Furthermore, the proportion of the 22 immune cell types in AAA patients was assessed using cell type identification by estimating relative subsets of RNA transcripts (CIBERSORT) algorithm. The expressions of key genes and immune cell infiltration were validated using clinical specimens.ResultsA total of 214 DEmRNAs were identified in the GSE57691 and GSE47472 datasets, and 517 DEcircRNAs were identified in the GSE144431 dataset. The ceRNA network included 19 circRNAs, 36 mRNAs, and 68 miRNAs. Two key genes, PPARG and FOXO1, were identified among the hub genes of the established protein-protein interaction between mRNAs in the ceRNA network. Moreover, seven types of immune cells were differentially expressed between AAA patients and healthy control samples. Hub genes in ceRNA, such as FOXO1, HSPA8, and RAB5C, positively correlated with resting CD4 memory T cells or M1 macrophages, or both.ConclusionIn conclusion, a ceRNA interaction axis was constructed. The composition of infiltrating immune cells was analyzed in the abdominal aorta of AAA patients and healthy control samples. This may help identify potential therapeutic targets for AAA.</p