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The potential pollution risks and characteristics of heavy metal pollution in surface streams were assessed in a decommissioned uranium tailing. The results demonstrated that the concent of seven heavy metals in the tailing were comparatively high and were beyond the environmental quality standard limits of surface water. Correlation and enrichment factor studies demonstrated that mining operations were the main source of contamination. According to pollution evaluation indices, there was a high risk of contamination and notable enrichment and pollution features for Tl, Mo, Mn, U, and Al in the tailing. Ni and Cd were mildly contaminated and enriched. [ABSTRACT FROM AUTHOR]

Background: No effective drugs currently exist to cure Alzheimer's disease (AD) due to its complexity and the lack of understanding of the involved molecular signaling and pathways. The relationship between liver health and AD is now widely recognized. Still, molecular links and shared pathways between the liver and brain remain unclear, making the liver-brain axis in AD therapies a new area for exploration. However, bibliometric studies on this topic are lacking. Objective: This study aims to review the liver-brain axis in AD and identify future research hotspots and trends through bibliometric analysis. Methods: Articles and reviews related to AD and liver and its related diseases were searched in the Web of Science Core Collection (WoSCC) database up to 2024. Data were processed and visually analyzed using VOSviewer, CiteSpace, and Pajek. Results: We collected 1,777 articles on AD and liver and its related diseases from 2,517 institutions across 80 countries. Keyword cluster analysis identified 11 clusters, with 'insulin resistance,' 'amyloid-beta,' 'apolipoprotein-E,' 'oxidative stress,' and 'inflammation' appearing most frequently, and exhibiting strong total link strength. These results indicate that these topics have been the primary focus of research on the liver-brain axis in AD. Conclusions: This study is the first to comprehensively analyze the liver-brain axis in AD using bibliometric methods. The research results identify recent research frontiers and hotspots, aiding scholars in gaining a deeper understanding of the correlation between AD and the liver. [ABSTRACT FROM AUTHOR]

Background: No effective drugs currently exist to cure Alzheimer's disease (AD) due to its complexity and the lack of understanding of the involved molecular signaling and pathways. The relationship between liver health and AD is now widely recognized. Still, molecular links and shared pathways between the liver and brain remain unclear, making the liver-brain axis in AD therapies a new area for exploration. However, bibliometric studies on this topic are lacking. Objective: This study aims to review the liver-brain axis in AD and identify future research hotspots and trends through bibliometric analysis. Methods: Articles and reviews related to AD and liver and its related diseases were searched in the Web of Science Core Collection (WoSCC) database up to 2024. Data were processed and visually analyzed using VOSviewer, CiteSpace, and Pajek. Results: We collected 1,777 articles on AD and liver and its related diseases from 2,517 institutions across 80 countries. Keyword cluster analysis identified 11 clusters, with 'insulin resistance,' 'amyloid-beta,' 'apolipoprotein-E,' 'oxidative stress,' and 'inflammation' appearing most frequently, and exhibiting strong total link strength. These results indicate that these topics have been the primary focus of research on the liver-brain axis in AD. Conclusions: This study is the first to comprehensively analyze the liver-brain axis in AD using bibliometric methods. The research results identify recent research frontiers and hotspots, aiding scholars in gaining a deeper understanding of the correlation between AD and the liver. [ABSTRACT FROM AUTHOR]

Ultraviolet photodetectors (UPDs) based on low‐dimensional halide perovskites have undergone rapid development. Here, regulation of the electronic configuration of low‐dimensional hybrid perovskites are reported via organic cations for self‐powered UPDs. For the first time, it is determine that the rational design of organic cation phenyl alkylammonium can effectively prevent phonon scattering thus increasing charge carrier extraction in low dimensional lead chlorine perovskite thin‐films. As a result, the exciton‐binding energy can be reduced to 62.91 meV in (PMA)2PbCl4 perovskite films with a charge‐carrier mobility of 0.335 cm2 V−1 s−1. The fabricated (PMA)2PbCl4‐based self‐powered UPDs has achieved a high detectivity of 6.32 × 1013 jones with a low noise current of 0.35 pA Hz−1/2 under zero bias. A further demonstration of images with high UV to visible light rejection ratio under weak‐light illumination of 70 nW cm−2 highlights the feasible potential application of low‐dimensional perovskite. [ABSTRACT FROM AUTHOR]

Background: The genetic association between urticaria and mental disorders and whether inflammatory cytokines mediate this process remains unclear. Materials and methods: A Mendelian randomization (MR) approaches to elucidate the causal relationship between urticaria and mental disorders and to validate the mediation of inflammatory cytokines. Genome‐wide association study (GWAS) databases used were obtained from Psychiatric Genomics Cooperation (PGC), GWAS Catalog, and FinnGen Consortium. Our study was conducted using inverse variance weighted (IVW) and Bayesian weighted MR (BWMR) methods for joint analysis. Results: The MR results showed that urticaria increased the risk of attention deficit hyperactivity disorder (ADHD) (odds ratio [OR] =$ = $ 1.088, 95% confidence interval [CI]: 1.026–1.154, p=$ = $ 0.0051); cholinergic urticaria increased the risk of bipolar disorder (BD) (OR =$ = $ 1.012, 95% CI: 1.001–1.022, p=$ = $ 0.0274); dermatographic urticaria increased the risk of ADHD (OR =$ = $ 1.057, 95% CI: 1.005–1.112, p=$ = $ 0.0323); idiopathic urticaria increased the risk of schizophrenia (SCZ) (OR =$ = $ 1.057, 95% CI: 1.005–1.112, p=$ = $ 0.0323); other unspecified urticaria increased the risk of ADHD (OR =$ = $ 1.085, 95% CI: 1.023–1.151, p=$ = $ 0.0063). We found that eight inflammatory cytokines were negatively associated with mental disorders and seven inflammatory cytokines were positively associated with mental disorders. Finally, our results suggested that inflammatory cytokines do not act as mediators between urticaria and mental disorders. Conclusions: Our study reveals a causal relationship between urticaria and the increased risk of mental disorders. We suggest that the treatment of urticaria could incorporate psychiatric interventions and mental health assessment of patients. [ABSTRACT FROM AUTHOR]

Dirac cones are difficult to achieve in a square lattice with full symmetry. Here, we have theoretically investigated a bipartite tetragonal lattice composed of tetragons and octagons using both Tight-Binding (TB) model and density functional theory (DFT) calculations. The TB model predicts that the system exhibits nodal line semi-metallic properties when the on-site energies of all atoms are identical. When the on-site energies differ, the formation of an elliptical Dirac cone is predicted. Its physical properties (anisotropy, tilting, merging, and emerging) can be regulated by the hopping energies. An exact analytical formula is derived to determine the position of the Dirac point by the TB parameters, and a criterion for the existence of Dirac cones is obtained. The "divide-and-coupling" method is applied to understand the origin of the Dirac cone, which involves dividing the bands into several groups and examining the couplings among inter-groups and intra-groups. Various practical systems computed by DFT methods, e.g., t-BN, t-Si, 4,12,2-graphyne, and t-SiC, are also examined, and they all possess nodal lines or Dirac cones as predicted by the TB model. The results provide theoretical foundation for designing novel Dirac materials with tetragonal symmetry. [ABSTRACT FROM AUTHOR]

Machine learning force fields (MLFFs) have gained popularity in recent years as they provide a cost-effective alternative to ab initio molecular dynamics (MD) simulations. Despite a small error on the test set, MLFFs inherently suffer from generalization and robustness issues during MD simulations. To alleviate these issues, we propose global force metrics and fine-grained metrics from element and conformation aspects to systematically measure MLFFs for every atom and every conformation of molecules. We selected three state-of-the-art MLFFs (ET, NequIP, and ViSNet) and comprehensively evaluated on aspirin, Ac-Ala3-NHMe, and Chignolin MD datasets with the number of atoms ranging from 21 to 166. Driven by the trained MLFFs on these molecules, we performed MD simulations from different initial conformations, analyzed the relationship between the force metrics and the stability of simulation trajectories, and investigated the reason for collapsed simulations. Finally, the performance of MLFFs and the stability of MD simulations can be further improved guided by the proposed force metrics for model training, specifically training MLFF models with these force metrics as loss functions, fine-tuning by reweighting samples in the original dataset, and continued training by recruiting additional unexplored data. [ABSTRACT FROM AUTHOR]

Inorganic cesium lead triiodide perovskite (CsPbI3) exhibits remarkable potential in photovoltaic applications due to its exemplary thermal stability. However, CsPbI3 is extremely sensitive to moisture which hinders its practical application in stable and high-efficiency photovoltaic devices. Here we show an effective method to enhance water resistance of CsPbI3via an ultrathin hydrophobic lead silicate (PbSiO3) glass layer. The resulting CsPbI3 inorganic perovskite solar cells achieved a remarkably efficiency of 20.59% under standard test conditions. More importantly, the unencapsulated devices possess outstanding moisture resilience and maintain about 92% of their initial efficiency even after being stored at 25 ± 5% relative humidity (RH) for 600 hours. [ABSTRACT FROM AUTHOR]

The rapid advancement of self-powered perovskite photodetectors (PDs) in recent years has been hindered by numerous defects present in solution-processed perovskite polycrystalline films, significantly impacting device performance. Of particular concern is the influence of these defects on device noise, a critical parameter directly affecting detector sensitivity. This study proposes the incorporation of poly(vinylidene fluoride–trifluoroethylene) (PVT) additives into FA0.9MA0.05Cs0.05PbI3 perovskite precursor solutions to alleviate defect formation and enhance detector sensitivity. By optimizing the PVT concentration to 0.05 mg L−1, the photodetector (PD) demonstrates remarkable improvement, achieving a low noise power spectral density (0.1 pA Hz−1/2) and dark current density (2.12 nA cm−2) at zero bias. The device exhibits a notable decrease in defect density by an order of magnitude through the concurrent passivation of shallow-level defects with PVT. Additionally, the PD shows a high specific detection rate (D* = 2.8 × 1013 jones) at 700 nm, accompanied by a linear dynamic range exceeding 101 dB. This research not only advances our understanding of noise suppression mechanisms but also unveils the potential application of high-sensitivity PDs for real-time heart rate monitoring, showing promise for significant advancements in human health monitoring technology. [ABSTRACT FROM AUTHOR]

Background: White matter (WM) degeneration is a key feature of Alzheimer's disease (AD). However, the underlying mechanism remains unclear. Purpose: To investigate how amyloid‐β (Aβ), tau, and small vascular disease (SVD) jointly affect WM degeneration in subjects along AD continuum. Study Type: Retrospective. Subjects: 152 non‐demented participants (age: 55.8–91.6, male/female: 66/86) from the ADNI database were included, classified into three groups using the A (Aβ)/T (tau)/N pathological scheme (Group 1: A−T−; Group 2: A+T−; Group 3: A+T+) based on positron emission tomography data. Field Strength/Sequence: 3T; T1‐weighted images, T2‐weighted fluid‐attenuated inversion recovery images, T2*‐weighted images, diffusion‐weighted spin‐echo echo‐planar imaging sequence (54 diffusion directions). Assessment: Free‐water diffusion model (generated parameters: free water, FW; tissue fractional anisotropy, FAt; tissue mean diffusivity, MDt); SVD total score; Neuropsychological tests. Statistical Tests: Linear regression analysis was performed to investigate the independent contribution of AD (Aβ and tau) and SVD pathologies to diffusion parameters in each fiber tract, first in the entire population and then in each subgroup. We also investigated associations between diffusion parameters and cognitive functions. The level of statistical significance was set at p < 0.05 (false discovery rate corrected). Results: In the entire population, we found that: 1) Increased FW was significantly associated with SVD and tau, while FAt and MDt were significantly associated with Aβ and tau; 2) The spatial pattern of fiber tracts related to a certain pathological marker is consistent with the known distribution of that pathology; 3) Subgroup analysis showed that Group 2 and 3 had more alterations of FAt and MDt associated with Aβ and tau; 4) Diffusion imaging indices showed significant associations with cognitive score in all domains except memory. Data Conclusion: WM microstructural injury was associated with both AD and SVD pathologies, showing compartment‐specific, tract‐specific, and stage‐specific WM patterns. Evidence Level: 1 Technical Efficacy: Stage 3 [ABSTRACT FROM AUTHOR]

In response to the growing demand for organ substitutes, tissue engineering has evolved significantly. However, it is still challenging to create functional tissues and organs. Tissue engineering from the 'bottom-up' is promising on solving this problem due to its ability to construct tissues with physiological complexity. The workflow of this strategy involves two key steps: the creation of building blocks, and the subsequent assembly. There are many techniques developed for the two pivotal steps. Notably, bioprinting is versatile among these techniques and has been widely used in research. With its high level of automation, bioprinting has great capacity in engineering tissues with precision and holds promise to construct multi-material tissues. In this review, we summarize the techniques applied in fabrication and assembly of building blocks. We elaborate mechanisms and applications of bioprinting, particularly in the 'bottom-up' strategy. We state our perspectives on future trends of bottom-up tissue engineering, hoping to provide useful reference for researchers in this field. [ABSTRACT FROM AUTHOR]

In this study, a bacterial strain Chryseobacterium bernardetii WK-3 was isolated from the rhizosphere soil of a uranium tailings in Southern China. It can efficiently adsorb hexavalent uranium with an adsorption ratio of 92.3%. The influence of different environmental conditions on the adsorption ratio of Chryseobacterium bernardetii strain WK-3 was investigated, and the adsorption mechanism was preliminarily discussed by scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM–EDS). The results showed that the optimal adsorption conditions for U(VI) by Chryseobacterium bernardetii strain WK-3 were pH = 5, temperature 30 ℃, NaCl concentration 1%, and inoculation volume 10%. When the initial concentration of U was 50 ~ 150 mg/L, the adsorption capacity of Chryseobacterium bernardetii strain WK-3 to U(VI) reached the maximum and maintained the equilibrium at 44 h. SEM–EDS results showed that phosphorus in cells participates in the interaction of uranyl ions, which may indicate that phosphate was produced during cell metabolism and was further combined to form U(VI)-phosphate minerals. In summary, Chryseobacterium bernardetii strain WK-3 would be a promising alternative for environmental uranium contamination remediation. [ABSTRACT FROM AUTHOR]

For highly efficient solid-liquid separation after uranium adsorption from acidic wastewater, layered metal sulfide@polymer nanofibers, KMS-1@PVA/PAA, KMS-2@PVA/PAA, and KTS-3@PVA/PAA, were successfully synthesized. The outcomes of batch adsorption experiments revealed that uranium(VI) removal on three nanofibers exhibited dependency on pH and almost no dependency on ionic strength. The membrane separation experiment indicated that the adsorption capacities for KMS-1@PVA/PAA, KMS-2@PVA/PAA, and KTS-3@PVA/PAA were 234.78 mg/g, 254.18 mg/g, and 205.05 mg/g, respectively, ranking competitive position among the reported fiber materials. The determined kinetics, isotherms and thermodynamic parameters proved the layered metal sulfide@polymer nanofiber were prone to adsorb uranium in acidic environment. [ABSTRACT FROM AUTHOR]

Background: Neuropsychiatric symptoms (NPS) are prevalent in cognitively impaired individuals including Alzheimer's disease (AD) dementia and mild cognitive impairment (MCI). Whereas several studies have reported the associations between NPS with AD pathologic biomarkers and cerebral small vessel disease (SVD), but it remains unknown whether AD pathology and SVD contribute to different sub-syndromes independently or aggravate same symptoms synergistically. Method: We included 445 cognitively impaired individuals (including 316 MCI and 129 AD) with neuropsychiatric, cerebrospinal fluid (CSF) biomarkers (Aβ42, p-tau, and t-tau) and multi-model MRI data. Psychiatric symptoms were accessed by using the Neuropsychiatric Inventory (NPI). Visual assessment of SVD (white matter hyperintensity, microbleed, perivascular space, lacune) on MRI images was performed by experienced radiologist. Linear regression analyses were conducted to test the association between neuropsychiatric symptoms with AD pathology and CSVD burden after adjustment for age, sex, education, apolipoprotein E (APOE) ε4 carrier status, and clinical diagnosis. Results: The NPI total scores were related to microbleed (estimate 2.424; 95% CI [0.749, 4.099]; P =0.005). Considering the sub-syndromes, the hyperactivity was associated with microbleed (estimate 0.925; 95% CI [0.115, 1.735]; P =0.025), whereas the affective symptoms were correlated to CSF level of Aβ42 (estimate -0.006; 95% CI [-0.011, -0.002]; P =0.005). Furthermore, we found the apathy sub-syndrome was associated with CSF t-tau/Aβ42 (estimate 0.636; 95% CI [0.078, 1.194]; P =0.041) and microbleed (estimate 0.693; 95% CI [0.046, 1.340]; P =0.036). In addition, we found a significant interactive effect between CSF t-tau/Aβ42 and microbleed (estimate 0.993; 95% CI [0.360, 1.626]; P =0.019) on severity of apathy sub-syndrome. Conclusion: Our study showed that CSF Aβ42 was associated with affective symptoms, but microbleed was correlated with hyperactivity and apathy, suggesting the effect of AD pathology and SVD on different neuropsychiatric sub-syndromes. [ABSTRACT FROM AUTHOR]

In this study, the relationship between PM2.5 and ambient temperature, humidity, air pressure, wind speed and air indices was investigated by combining specific facilities at uranium mine with villages and cities. Humidity, atmospheric pressure and air quality index were positively correlated with PM2.5 concentration, whereas temperature and wind speed were negatively correlated, while altitude had no correlation with PM2.5 concentration. By constructing the corresponding PMF model data analysis, this study obtained six sources of eight metallic elements (U, Th, Al, Cu, Pb, Cd, Ti, Zn) in PM2.5 around a decommissioned uranium mine. [ABSTRACT FROM AUTHOR]

By the Fourier transformation upon an autofocusing Lommel–Gaussian vortex beam (LGVB) with J-Bessel beam, a novel autofocusing LGVB with I-Bessel beam is generated, and then the generated beam propagation in turbulence-free channel and turbulent atmosphere is investigated. Results demonstrate that under similar beam intensity profile parameters, a LGVB with J-Bessel beam has stronger anti-diffraction effect than a LGVB with I-Bessel beam in short-distance transmission, while a LGVB with I-Bessel beam has better autofocusing properties in long-distance transmission. Also, with the increase in topological charge, the intensity profile of the LGVB with I-Bessel beam remains almost unchanged within a certain distance, while it enlarges and the maximum intensity reduces beyond the certain distance. Additionally, when the ring radius approaches to a Gaussian beam waist, a LGVB with I-Bessel beam would degenerate into a LGVB with J-Bessel beam. Besides, impact of refractive index structure parameter and wavelength on the received probability of the LGVB with I-Bessel beam are also studied, and it is showed that the received probability decreases with the increase in the refractive index structure parameter or wavelength. This work could extend potential applications of LGVB with I-Bessel beam in free-space optical communication. [ABSTRACT FROM AUTHOR]

Background: Glymphatic dysfunction is a crucial pathway for dementia. Alzheimer’s disease (AD) pathologies co-existing with cerebral small vessel disease (CSVD) is the most common pathogenesis for dementia. We hypothesize that AD pathologies and CSVD could be associated with glymphatic dysfunction, contributing to cognitive impairment. Method: Participants completed with amyloid PET, diffusion tensor imaging (DTI), and T2 fluid-attenuated inversion-recovery (FLAIR) sequences were included from the Alzheimer’s Disease Neuroimaging Initiative (ADNI). White matter hyperintensities (WMH), the most common CSVD marker, was evaluated from T2FLAIR images and represented the burden of CSVD. Amyloid PET was used to assess Aβ aggregation in the brain. We used diffusion tensor image analysis along the perivascular space (DTI-ALPS) index, the burden of enlarged perivascular spaces (PVS), and choroid plexus volume to reflect glymphatic function. The relationships between WMH burden/Aβ aggregation and these glymphatic markers as well as the correlations between glymphatic markers and cognitive function were investigated. Furthermore, we conducted mediation analyses to explore the potential mediating effects of glymphatic markers in the relationship between WMH burden/Aβ aggregation and cognition. Results: One hundred and thirty-three participants along the AD continuum were included, consisting of 40 CN − , 48 CN + , 26 MCI + , and 19 AD + participants. Our findings revealed that there were negative associations between whole-brain Aβ aggregation (r = − 0.249, p = 0.022) and WMH burden (r = − 0.458, p < 0.001) with DTI-ALPS. Additionally, Aβ aggregation (r = 0.223, p = 0.041) and WMH burden (r = 0.294, p = 0.006) were both positively associated with choroid plexus volume. However, we did not observe significant correlations with PVS enlargement severity. DTI-ALPS was positively associated with memory (r = 0.470, FDR-p < 0.001), executive function (r = 0.358, FDR-p = 0.001), visual-spatial (r = 0.223, FDR-p < 0.040), and language (r = 0.419, FDR-p < 0.001). Conversely, choroid plexus volume showed negative correlations with memory (r = − 0.315, FDR-p = 0.007), executive function (r = − 0.321, FDR-p = 0.007), visual-spatial (r = − 0.233, FDR-p = 0.031), and language (r = − 0.261, FDR-p = 0.021). There were no significant correlations between PVS enlargement severity and cognitive performance. In the mediation analysis, we found that DTI-ALPS acted as a mediator in the relationship between WMH burden/Aβ accumulation and memory and language performances. Conclusion: Our study provided evidence that both AD pathology (Aβ) and CSVD were associated with glymphatic dysfunction, which is further related to cognitive impairment. These results may provide a theoretical basis for new targets for treating AD. [ABSTRACT FROM AUTHOR]

In comparison to numerous enhanced sampling methods for equilibrium thermodynamics, accelerating simulations for kinetics and nonequilibrium statistics are relatively rare and less effective. Here, we derive a time-reversal path sampling (tRPS) method based on time reversibility to accelerate simulations for determining the transition rates between free-energy basins. It converts the difficult uphill path sampling into an easy downhill problem. This method is easy to implement, i.e., forward and backward shooting simulations with opposite initial velocities are conducted from random initial conformations within a transition-state region until they reach the basin minima, which are then assembled to give the distribution of transition paths efficiently. The effects of tRPS are demonstrated using a comparison with direct simulations of protein folding and unfolding, where tRPS is shown to give results consistent with direct simulations and increase the efficiency by up to five orders of magnitude. This approach is generally applicable to stochastic processes with microscopic reversibility, regardless of whether the variables are continuous or discrete. [ABSTRACT FROM AUTHOR]

Oil‐in‐dispersion (O/D) emulsions are the focus in many fields due to their new microstructures and new functions. Herein, O/D emulsions were successfully prepared using series of cationic gemini surfactants 12‐s‐12 (s = 2, 3, and 6) and alumina nanoparticles. The microstructures and type of emulsions were identified using optical microscopy, zeta potential and contact angle methods. Gemini surfactants with two head groups carry more charges than that of conventional surfactants when adsorbed at the oil–water interface. The O/D emulsions can be stabilized at lower surfactant concentrations compared with the conventional single‐headed surfactants. In the presence of 0.1 wt% alumina nanoparticles, gemini surfactants 12‐s‐12 (s = 2, 3, and 6) can stabilize emulsions at the concentration of 3 × 10−4 mM (1.84 × 10−5 wt%), 6 × 10−4 mM (3.76 × 10−5 wt%) and 1 × 10−3 mM (6.68 × 10−5 wt%), respectively. Addition of excessive organic salts such as sodium salicylate and sodium p‐methylbenzenesulfonate shielded the head group charges of gemini surfactants, leading to gemini surfactants to behave as nonionic surfactants Adsorption of surfactants at the alumina nanoparticles occurred, resulting in the transformation from the O/D emulsions to Pickering emulsions. This work shows the advantages of preparing O/D emulsions using gemini surfactants and also provides a new methods of emulsion type transformations by adding excessive oppositely charged organic salts. [ABSTRACT FROM AUTHOR]

Based on the generalized Huygens-Fresnel diffraction theory and ABCD transfer theory, analytical expression for a newly proposed Tricomi beam propagating through a gradient-index medium is derived. The targeted beam's propagation trajectory, intensity profile, and phase distribution are investigated. Impact of the beam's complex parameters α and β, and topological charge n on the propagation properties are discussed in detail. It is shown that by selecting appropriate complex parameters α and β, Tricomi beams can degenerate into standard, asymmetric, off-axis Bessel beams, or sheet beams. While propagating in a gradient-index medium, Tricomi beams would be focused at two singularities within one period L, and go through periodic propagation. After passing the singularity, the transverse intensity pattern reconstructs itself and experiences symmetric inversion. Furthermore, propagation trajectory of the superimposed beam becomes visible and the main lobe splits. As the topological charge n increases, the peak intensity gradually diminishes, and meanwhile, the peak intensity position undergoes a shift. These findings presented in this article are of significant importance for prospective applications in the field of optical control, trapping, and optical communication. [ABSTRACT FROM AUTHOR]

We developed an analytical formula to calculate the influence of optical phonons on the mobility of two-dimensional Dirac materials at arbitrary temperature and arbitrary doping concentration. The method was combined with first-principles calculations to show that the effect of optical phonons on mobility is not negligible for typical Dirac materials such as graphene even though the occupation number of optical phonons is relatively small. Unlike the treatment of electron–acoustic phonon coupling, the energy change of electrons in the scattering process with optical phonons is crucial, which leads to a non-power temperature dependence of mobility under weak doping. The formalism was applied to calculate and analyze the mobility of two well-known Dirac materials, α-graphyne and the VCl3 monolayer, which differs by one to two orders of magnitude. [ABSTRACT FROM AUTHOR]

Malignant tumors have the capability to metastasize and colonize, meaning that they can spread to other organs and tissues, distributing metastatic focus and are hard to target. Although significant advances have been made in cancer treatment, it remains one of the leading causes of death around the globe. In recent years, new-emerging implantable systems and devices have been developed to tackle the challenge of metastatic tumors. In this review, implantable systems for suppressing tumors and preventing tumor recurrence are reported. In particular, we emphasize the responsive drug delivery systems and the external field assisted catalytic therapy for tumor treatment, as well as implantable biosensors for tumor microenvironment monitoring. We also conclude the open challenges and future perspectives of implantable systems and devices for cancer therapy and sensing. [ABSTRACT FROM AUTHOR]

Background: Alzheimer's disease (AD) is accompanied with impaired neurovascular coupling. However, its early alteration remains elusive along the AD continuum. Objective: This study aimed to investigate the early disruption of neurovascular coupling in cognitively normal (CN) and mild cognitive impairment (MCI) elderly and its association with cognition and AD pathologies. Methods: We included 43 amyloid-β-negative CN participants and 38 amyloid-β-positive individuals (18 CN and 20 MCI) from the Alzheimer's Disease Neuroimaging Initiative dataset. Regional homogeneity (ReHo) map was used to represent neuronal activity and cerebral blood flow (CBF) map was used to represent cerebral blood perfusion. Neurovascular coupling was assessed by CBF/ReHo ratio at the voxel level. Analyses of covariance to detect the between-group differences and to further investigate the relations between CBF/ReHo ratio and AD biomarkers or cognition. In addition, the correlation of cerebral small vessel disease (SVD) burden and neurovascular coupling was assessed as well. Results: Related to amyloid-β-negative CN group, amyloid-β-positive groups showed decreased CBF/ReHo ratio mainly in the left medial and inferior temporal gyrus. Furthermore, lower CBF/ReHo ratio was associated with a lower Mini-Mental State Examination score as well as higher AD pathological burden. No association between CBF/ReHo ratio and SVD burden was observed. Conclusion: AD pathology is a major correlate of the disturbed neurovascular coupling along the AD continuum, independent of SVD pathology. The CBF/ReHo ratio may be an index for detecting neurovascular coupling abnormalities, which could be used for early diagnosis in the future. [ABSTRACT FROM AUTHOR]

Highlights: Critical issues including mechanical stability, water and oxygen resistance, transparent electrodes for flexible perovskite solar cells are discussed. Roll-to-Roll technology presents a promising avenue for fabrication of flexible perovskite solar cells fabricated for large-scale commercial application. Balancing the transmittance and conductivity of transparent electrodes has become a significant issue in developing efficient flexible perovskite solar cells. The demand for building-integrated photovoltaics and portable energy systems based on flexible photovoltaic technology such as perovskite embedded with exceptional flexibility and a superior power-to-mass ratio is enormous. The photoactive layer, i.e., the perovskite thin film, as a critical component of flexible perovskite solar cells (F-PSCs), still faces long-term stability issues when deformation occurs due to encountering temperature changes that also affect intrinsic rigidity. This literature investigation summarizes the main factors responsible for the rapid destruction of F-PSCs. We focus on long-term mechanical stability of F-PSCs together with the recent research protocols for improving this performance. Furthermore, we specify the progress in F-PSCs concerning precise design strategies of the functional layer to enhance the flexural endurance of perovskite films, such as internal stress engineering, grain boundary modification, self-healing strategy, and crystallization regulation. The existing challenges of oxygen-moisture stability and advanced encapsulation technologies of F-PSCs are also discussed. As concluding remarks, we propose our viewpoints on the large-scale commercial application of F-PSCs. [ABSTRACT FROM AUTHOR]

Objective: This study investigated cerebral small vessel disease (CSVD) damage patterns in early‐onset and late‐onset Alzheimer's disease (EOAD and LOAD) and their effects on cognitive function. Methods: This study included 93 participants, 45 AD patients (14 EOAD and 31 LOAD), and 48 normal controls (13 YNC and 35 ONC) from the ADNI database. All participants had diffusion tensor imaging data; some had amyloid PET and plasma p‐tau181 data. The study used peak width of skeletonized mean diffusivity (PSMD) to measure CSVD severity and compared PSMD between patients and age‐matched controls. The effect of age on the relationship between PSMD and cognition was also examined. The study also repeated the analysis in amyloid‐positive AD patients and amyloid‐negative controls in another independent database (31 EOAD and 38 LOAD), and the merged database. Results: EOAD and LOAD showed similar cognitive function and disease severity. PSMD was validated as a reliable correlate of cognitive function. In the ADNI database, PSMD was significantly higher for LOAD and showed a tendency to increase for EOAD; in the independent and merged databases, PSMD was significantly higher for both LOAD and EOAD. The impact of PSMD on cognitive function was notably greater in the younger group (YNC and EOAD) than in the older group (ONC and LOAD), as supported by the ADNI and merged databases. Interpretation: EOAD has less CSVD burden than LOAD, but has a greater impact on cognition. Proactive cerebrovascular prevention strategies may have potential clinical value for younger older adults with cognitive decline. [ABSTRACT FROM AUTHOR]

The coupling of the spin-orbit angular momentum of photons in a focused spatial region can enhance the localized optical field's chirality. In this paper, a scheme for producing a superchiral optical field in a 4 π microscopic system is presented by tightly focusing two counter-propagating spiral wavefronts. We calculate the optical forces and torques exerted on a chiral dipole by the chiral light field and reveal the chiral forces by combining the light field and dipoles. Results indicate that, in addition to the general optical force, particles' motion would be affected by a chiral force that is directly related to the particle chirality. This chiral mechanical effect experienced by the electromagnetic dipoles excited on a chiral particle could be characterized by the behaviors of chirality density and flux, which are, respectively, associated with the reactive and dissipative components of the chiral forces. This work facilitates the advancement of optical separation and manipulation techniques for chiral particles. [ABSTRACT FROM AUTHOR]

Smoking is a modifiable risk factor for Alzheimer's disease (AD). The insula plays a vital role in both smoking and cognition. However, the smoking effects on insula-related networks in cognitively normal controls (CN) and mild cognitive impairment (MCI) patients remain unknown. We identified 129 CN (85 non-smokers and 44 smokers) and 83 MCI (54 non-smokers and 29 smokers). Each underwent neuropsychological assessment and MRI (structural and resting-state functional). Seed-based functional analyses in the anterior and posterior insula were performed to calculate the functional connectivity (FC) with voxels in the whole brain. Mixed-effect analyses were performed to explore the interactive effects on smoking and cognitive status. Associations between FC and neuropsychological scales were assessed. Mixed-effect analyses revealed the FC differences between the right anterior insula (RAI) with the left middle temporal gyrus (LMTG) and that with the right inferior parietal lobule (RIPL) (p < 0.01, cluster level < 0.05, two-tailed, gaussian random field correction). The FC of RAI in both LMTG and RIPL sees a significant decrease in MCI smokers (p < 0.01). Smoking affects insula FC differently between MCI and CN, and could decrease the insula FC in MCI patients. Our study provides evidence of neural mechanisms between smoking and AD. [ABSTRACT FROM AUTHOR]

The relationship between PM2.5 concentration and typical metal elements around a uranium deposit in eastern China was analyzed. The correlation between PM2.5 concentration and metal content in PM2.5 is generally poor, while the correlation between metal elements is generally good. The analysis shows that PM2.5 concentration and U content show the same trend with seasonal replacement, and Th content has a positive correlation with PM2.5 concentration on the whole. PM2.5 concentration was positively correlated with the content of Pb, Cd and Al. There is no obvious relationship between PM2.5 concentration and Ti content, and other theoretical explanations need to be studied. [ABSTRACT FROM AUTHOR]

Atomic-level understanding of the dynamic feature of host–guest interactions remains a central challenge in supramolecular chemistry. The remarkable guest binding behavior of the Cucurbiturils family of supramolecular containers makes them promising drug carriers. Among Cucurbit[n]urils, Cucurbit[8]uril (CB8) has an intermediate portal size and cavity volume. It can exploit almost all host–guest recognition motifs formed by this host family. In our previous work, an extensive computational investigation of the binding of seven commonly abused and structurally diverse drugs to the CB8 host was performed, and a general dynamic binding picture of CB8-guest interactions was obtained. Further, two widely used fixed-charge models for drug-like molecules were investigated and compared in great detail, aiming at providing guidelines in choosing an appropriate charge scheme in host-guest modelling. Iterative refitting of atomic charges leads to improved binding thermodynamics and the best root-mean-squared deviation from the experimental reference is 2.6 kcal/mol. In this work, we focus on a thorough evaluation of the remaining parts of classical force fields, i.e., the bonded interactions. The widely used general Amber force fields are assessed and refitted with generalized force-matching to improve the intra-molecular conformational preference, and thus the description of inter-molecular host–guest interactions. The interaction pattern and binding thermodynamics show a significant dependence on the modelling parameters. The refitted system-specific parameter set improves the consistency of the modelling results and the experimental reference significantly. Finally, combining the previous charge-scheme comparison and the current force-field refitting, we provide general guidelines for the theoretical modelling of host–guest binding. [ABSTRACT FROM AUTHOR]

With increased diabetes incidence, diabetic wound healing is one of the most common diabetes complications and is characterized by easy infection, chronic inflammation, and reduced vascularization. To address these issues, biomaterials with multifunctional antibacterial, immunomodulatory, and angiogenic properties must be developed to improve overall diabetic wound healing for patients. In our study, we prepared porous poly (L-lactic acid) (PLA) nanofiber membranes using electrospinning and solvent evaporation methods. Then, sulfated chitosan (SCS) combined with polydopamine-gentamicin (PDA-GS) was stepwise modified onto porous PLA nanofiber membrane surfaces. Controlled GS release was facilitated via dopamine self-polymerization to prevent early stage infection. PDA was also applied to PLA nanofiber membranes to suppress inflammation. In vitro cell tests results showed that PLA/SCS/PDA-GS nanofiber membranes immuomodulated macrophage toward the M2 phenotype and increased endogenous vascular endothelial growth factor secretion to induce vascularization. Moreover, SCS-contained PLA nanofiber membranes also showed good potential in enhancing macrophage trans-differentiation to fibroblasts, thereby improving wound healing processes. Furthermore, our in vitro antibacterial studies against Staphylococcus aureus indicated the effective antibacterial properties of the PLA/SCS/PDA-GS nanofiber membranes. In summary, our novel porous PLA/SCS/PDA-GS nanofiber membranes possessing enhanced antibacterial, anti-inflammatory, and angiogenic properties demonstrate promising potential in diabetic wound healing processes. [ABSTRACT FROM AUTHOR]

Background: A universal set of disability weights(DWs) is mainly based on the survey of North America, Australia and Europe, whereas the participants in Asia was limited. The debate hasn't yet settled whether a universal DW is desirable or useful.The focus of the debate is its representativenes-s.After all, the DWs come from people's subjective evaluation of pain, and they may vary according to cultural background.The differences of the DWs could have implications for the magnitude or ranking of disease burdens.The DWs of Anhui Province has not been completely presented.This paper aims to obtain the DWs suitable for the general population of Anhui Province of China, and attempts to explore the differences between different DWs by comparing the DWs with the similar-cultural background and the DWs with cross-cultural background. Methods: A web-based survey was conducted to estimate the DWs for 206 health states of Anhui province in 2020. Paired comparison (PC) data were analyzed and anchored by probit regression and fitting loess model. We compared the DWs in Anhui with other provinces in China and those in Global burden of disease (GBD) and Japan. Results: Compared with Anhui province, the proportion of health states which showed 2 times or more differences ranged from 1.94% (Henan) to 11.17% (Sichuan) in China and domestic provinces. It was 19.88% in Japan and 21.51% in GBD 2013 respectively. In Asian countries or regions, most of the health states with top 15 DWs belonged to the category of mental, behavioral, and substance use disorders. But in GBD, most were infectious diseases and cancer. The differences of DWs in neighboring provinces were smaller than other geographically distant provinces or countries. Conclusion: PC responses were largely consistent across very distinct settings,but the exceptions do need to be faced squarely.The differences of DWs among similar-cultural regions were smaller than cross-cultural regions. There is an urgent need for relevant gold standards. [ABSTRACT FROM AUTHOR]

Thick Quaternary alluvial and floodplain sediments in north Hebei Plain provide important information for understanding local paleoenvironmental and paleoclimatic variations. A 120.8 m drilled core (SHBZK-1) was recovered to determine the late Pleistocene climatic fluctuations, sedimentary environment and their coevolutionary relationship. Laboratory analysis, including grain size distribution, magnetic susceptibility, and optical stimulated luminescence dating, was carried out. Lithofacies and grain size showed that the sediments are of fluvial origin and contain two subfaces: river sand bar and flood plain. The good correlation between magnetic susceptibility and grain size show that climate change is the main factor controlling the variation of sedimentary environment in Hebei Plain, rather than tectonic factors. Furthermore, variations of the magnetic susceptibility and lithofacies reflect the intensity and fluctuations of Asian monsoons and couple well with glacial-interglacial cycles, suggesting that the variation of ice volume in the Northern Hemisphere drives climate change in the Hebei Plain, which, in turn, regulates the variation of the sedimentary environment and facies through controlling precipitation changes, as well as the input amount of magnetic minerals. This research provides a useful continental archive for understanding the late Pleistocene environmental and climatic variation and suggests the prevalence of climate-driven environmental change. [ABSTRACT FROM AUTHOR]

Accumulation of neurofibrillary tangles (NFTs) composed of hyperphosphorylated tau is a histopathological hallmark of Alzheimer's disease (AD) and related tauopathies. Growing evidence demonstrated that tau pathology in AD spreads in a prion-like manner. Previous studies showed that metformin might have a positive effect on cognition. However, the underlying mechanisms are still unknown. Therefore, the present study aimed to investigate the effects of metformin on tau propagation. Brain extracts containing tau aggregates were unilaterally injected into the hippocampus and the overlying cerebral cortex of PS19 mice. Metformin was administrated through drinking water for four months, and we observed tau spreading in the brain of tau-seeded PS19 mice. Metformin inhibited the spreading of tau pathology in the ipsilateral hemisphere, attenuated tau pathology in the contralateral hemisphere, and reduced the hyperphosphorylation of tau at Ser202/Thr205, Thr231, and Ser422 sites in the soluble fraction and Ser202/Thr205, Ser262, Thr396, Thr231, and Ser422 sites in the insoluble fraction of tau-seeded PS19 mice brains. Metformin did not affect tau kinases or phosphatase 2A protein levels but reduced mTORC1 protein levels. Additionally, metformin reduced learning and memory deficits of the tau-seeded PS19 mice. These findings indicate that metformin reduced tau hyperphosphorylation, attenuated tau pathology in tau-seeded PS19 mice, and improved learning and memory deficits. These findings highlight the potential mechanisms underlying the beneficial effects of metformin on cognition, implying that metformin could be a promising drug for the prevention and early treatment of AD. [ABSTRACT FROM AUTHOR]

Electrochemical system with electro-Fenton reaction is an effective pathway for oxidative degradation of refractory organic pollutants for water treatment. However, the method is limited by the low catalytic efficiency and high electrical cost in practical applications. This work presents a self-powered and high-efficient electrochemical system for water treatment including pollutant degradation and bacterial inactivation, which is composed of a self-powered triboelectric nanogenerator (TENG) converting mechanical energy into electrical energy, a power management circuit integrated with a supercapacitor to store the harvesting electrical energy temporarily, and an electrochemical setup integrated with two-dimentional Co(OH)2/Pt nanosheet as electrocatalyst. The nanocatalyst, ultrafine Pt nanoparticles (Pt NPs) loaded on Co(OH)2 nanosheet (Co(OH)2/Pt), is synthesized by a facile one step hydrothermal reaction without any surfactant, which can improve H2O2 and hydroxyl radical production via redox reaction. This self-powered electrocatalytic system is able to degrade nearly 100% of organic pollutant within 100 min, and efficiently kill bacteria. This work shows great potential to develop high-efficient and self-powered electrochemical water treatment system through integrating TENG and nanocatalyst. [ABSTRACT FROM AUTHOR]

Charge scaling as an effective solution to the experiment–computation disagreement in molecular modelling of ionic liquids (ILs) could bring the computational results close to the experimental reference for various thermodynamic properties. According to the large-scale benchmark calculations of mass density, solvation, and water-ILs transfer-free energies in our series of papers, the charge-scaling factor of 0.8 serves as a near-optimal option generally applicable to most ILs, although a system-dependent parameter adjustment could be attempted for further improved performance. However, there are situations in which such a charge-scaling treatment would fail. Namely, charge scaling cannot really affect the simulation outcome, or minimally perturbs the results that are still far from the experimental value. In such situations, the vdW radius as an additional adjustable parameter is commonly tuned to minimize the experiment–calculation deviation. In the current work, considering two ILs from the quinuclidinium family, we investigate the impacts of this vdW-scaling treatment on the mass density and the solvation/partition thermodynamics in a fashion similar to our previous charge-scaling works, i.e., scanning the vdW-scaling factor and computing physical properties under these parameter sets. It is observed that the mass density exhibits a linear response to the vdW-scaling factor with slopes close to −1.8 g/mL. By further investigating a set of physiochemically relevant temperatures between 288 K and 348 K, we confirm the robustness of the vdW-scaling treatment in the estimation of bulk properties. The best vdW-scaling parameter for mass density would worsen the computation of solvation/partition thermodynamics, and a marginal decrease in the vdW-scaling factor is considered as an intermediate option balancing the reproductions of bulk properties and solvation thermodynamics. These observations could be understood in a way similar to the charge-scaling situation. i.e., overfitting some properties (e.g., mass density) would degrade the accuracy of the other properties (e.g., solvation free energies). Following this principle, the general guideline for applying this vdW-tuning protocol is by using values between the density-derived choice and the solvation/partition-derived solution. The charge and current vdW scaling treatments cover commonly encountered ILs, completing the protocol for accurate modelling of ILs with fixed-charge force fields. [ABSTRACT FROM AUTHOR]

Concomitant neuropsychiatric symptoms (NPS) are associated with accelerated Alzheimer's disease (AD) progression. Identifying multimodal brain imaging patterns associated with NPS may help understand pathophysiology correlates AD. Based on the AD continuum, a supervised learning strategy was used to guide four‐way multimodal neuroimaging fusion (Amyloid, Tau, gray matter volume, brain function) by using NPS total score as the reference. Loadings of the identified multimodal patterns were compared across the AD continuum. Then, regression analyses were performed to investigate its predictability of longitudinal cognition performance. Furthermore, the fusion analysis was repeated in the four NPS subsyndromes. Here, an NPS‐associated pathological–structural–functional covaried pattern was observed in the frontal‐subcortical limbic circuit, occipital, and sensor‐motor region. Loading of this multimodal pattern showed a progressive increase with the development of AD. The pattern significantly correlates with multiple cognitive domains and could also predict longitudinal cognitive decline. Notably, repeated fusion analysis using subsyndromes as references identified similar patterns with some unique variations associated with different syndromes. Conclusively, NPS was associated with a multimodal imaging pattern involving complex neuropathologies, which could effectively predict longitudinal cognitive decline. These results highlight the possible neural substrate of NPS in AD, which may provide guidance for clinical management. [ABSTRACT FROM AUTHOR]

Principally, all‐inorganic perovskite crystals, such as CsPbI3, possess higher thermal stability than their organic–inorganic hybrid counterparts, like CH3NH3PbI3, due to the type of chemical bond variants. However, considering a retained strain in these stiff films, it is a challenge to stabilize CsPbI3 within the photoactive phase for photovoltaic application under ambient conditions. This article reports organopolysilazane (OPSZ) as a strain compensation layer that regulates the tense strain during the annealing process, a very attractive feature for all‐inorganic perovskite solar cells with a CsPbI3 active layer. When depositing OPSZ onto the surface of CsPbI3 film for thin‐film solar cell devices with FTO/c‐TiO2/CsPbI3/spiro‐OMeTAD/Au architecture, an efficiency of 19.12% is achieved under standard illumination test conditions. This strain compensation layer offers a viable pathway to develop efficient and stable solar cells with inorganic perovskite crystalline thin films for scale‐up and practical applications. [ABSTRACT FROM AUTHOR]

In present work, facile synthesis of a biocompatible hybrid biosorbent based on diethylenetriaminepentaacetic acid (DTPA) modified chitosan immobilized in organo-functionalized sodium alginate matrix (DTPA-MCSA) was carried out. DTPA-MCSA was casted in microspherical hydrogel beads. Three dimensional microporous geometry of the biosorbent remained well preserved as observed in SEM analysis which revealed the improved mechanical strength of the alginate matrix. Surface functionalization of base biopolymers was confirmed by FTIR and SEM analysis. Equilibrium sorption studies using DTPA-MCSA for Cu(II) from aqueous medium were carried out in batch mode and found considerably dependent on pH, contact sorption time, temperature and initial copper concentration. Isothermal sorption data showed close correlation with Langmuir model as evident from nonlinear fitting of data (R2 ˜ 0.99) at different temperatures. The experimental sorption capacity (qe) was found nearly 67 mg/g using 100 mg/L initial concentration of copper ions. Kinetic studies were conducted using different initial concentrations for better elucidation of results and it showed better correlation with pseudo second order rate equation which unveiled that strong ion pair coordination and complexation exist between Cu(II) and newly grafted chelating sites of DTPA-MCSA. Thermodynamic parameters suggested that the adsorption process is spontaneous and endothermic. The results concluded that DTPA-MCSA could be a better candidate for adsorptive remediation of copper ions from liquid waste. [ABSTRACT FROM AUTHOR]

Phytoremediation, as a green and safe bioremediation technology, has attracted much attention to researchers. The rhizosphere effect caused by plant–microbe-soil interaction, which makes plant roots adapt to the external environment, plays an important role in phytoremediation. Therefore, we summarized the membrane transport, morphological transformation, migration and distribution mechanism of uranium in plants under rhizosphere effect, and the molecular mechanism of microbial-mediated uranium-contaminated soil remediate; the influencing factors and regulatory measures of rhizosphere remediate. Finally, we conclude some promising research challenges regarding the rhizosphere effect of phytoremediation in uranium-contaminated soil, in order to provide a useful reference for future research. [ABSTRACT FROM AUTHOR]

The spike trimer of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is an effective target for inducing neutralizing antibodies by coronavirus disease 2019 (COVID‐19) vaccines. However, the diversity of spike protein from emerging SASR‐CoV‐2 variants has become the major challenge for development of a universal vaccine. To investigate the immunogenicity of spike proteins from various circulating strains including wild type, Delta, and Omicron variants, we produced various natural spike trimers and designed three vaccination strategies, that is, individual, sequential, and bivalent regimens to assess autologous and heterogenous antibody responses in a mouse model. The results indicated that monovalent vaccine strategy with individual spike trimer could only induce binding and neutralizing antibodies against homologous viruses. However, sequential and bivalent immunization with Delta and Omicron spike trimers could induce significantly broader neutralizing antibody responses against heterogenous SARS‐CoV‐2. Interestingly, the spike trimer from Omicron variant showed superior immunogenicity in inducing antibody response against recently emerging XE variant. Taken together, our data supported the development of novel vaccination strategies or multivalent vaccine against emerging variants. [ABSTRACT FROM AUTHOR]

Inorganic tin halide perovskite compound with its eco‐friendly property has attracted tremendous attention of researchers in the field of lead‐free perovskite solar cells. However, the trap‐assisted nonradiative recombination caused by deep‐level defects originating from surface undercoordinated Sn2+ cations significantly deteriorates the CsSnI3 device's performance. Herein, adding low concentrations of an ionic liquid 1‐ethyl‐3‐methylimidazolium acetate (EMIMAc) shows promise in controlling deep‐level defects in CsSnI3 perovskites. Both experimental observation and theoretical simulation reveal that EMIMAc can have strong electrostatic attraction and coordination interaction with the surface undercoordinated Sn2+ through the lone electron pairs of carboxyl functional groups and the donated π electrons from electron‐rich imidazole moieties, leading to a reduced deep‐level defect density and a restrained nonradiative recombination. Consequently, the processed CsSnI3 perovskite solar cells based on a printable fluorine‐doped tin oxide/compact‐TiO2/mesoporous‐TiO2/Al2O3/NiO/carbon framework achieve a power conversion efficiency as high as 8.54%, which is the champion efficiency among all the reported CsSnI3 mesoporous perovskite solar cells up to now. In addition, the unencapsulated devices have shown an impressive long‐term stability with only ≈6% efficiency degradation after over 2000 h aging under nitrogen atmosphere. [ABSTRACT FROM AUTHOR]

End-point free energy calculations as a powerful tool have been widely applied in protein–ligand and protein–protein interactions. It is often recognized that these end-point techniques serve as an option of intermediate accuracy and computational cost compared with more rigorous statistical mechanic models (e.g., alchemical transformation) and coarser molecular docking. However, it is observed that this intermediate level of accuracy does not hold in relatively simple and prototypical host–guest systems. Specifically, in our previous work investigating a set of carboxylated-pillar[6]arene host–guest complexes, end-point methods provide free energy estimates deviating significantly from the experimental reference, and the rank of binding affinities is also incorrectly computed. These observations suggest the unsuitability and inapplicability of standard end-point free energy techniques in host–guest systems, and alteration and development are required to make them practically usable. In this work, we consider two ways to improve the performance of end-point techniques. The first one is the PBSA_E regression that varies the weights of different free energy terms in the end-point calculation procedure, while the second one is considering the interior dielectric constant as an additional variable in the end-point equation. By detailed investigation of the calculation procedure and the simulation outcome, we prove that these two treatments (i.e., regression and dielectric constant) are manipulating the end-point equation in a somehow similar way, i.e., weakening the electrostatic contribution and strengthening the non-polar terms, although there are still many detailed differences between these two methods. With the trained end-point scheme, the RMSE of the computed affinities is improved from the standard ~ 12 kcal/mol to ~ 2.4 kcal/mol, which is comparable to another altered end-point method (ELIE) trained with system-specific data. By tuning PBSA_E weighting factors with the host-specific data, it is possible to further decrease the prediction error to ~ 2.1 kcal/mol. These observations along with the extremely efficient optimized-structure computation procedure suggest the regression (i.e., PBSA_E as well as its GBSA_E extension) as a practically applicable solution that brings end-point methods back into the library of usable tools for host–guest binding. However, the dielectric-constant-variable scheme cannot effectively minimize the experiment-calculation discrepancy for absolute binding affinities, but is able to improve the calculation of affinity ranks. This phenomenon is somehow different from the protein–ligand case and suggests the difference between host–guest and biomacromolecular (protein–ligand and protein–protein) systems. Therefore, the spectrum of tools usable for protein–ligand complexes could be unsuitable for host–guest binding, and numerical validations are necessary to screen out really workable solutions in these 'prototypical' situations. [ABSTRACT FROM AUTHOR]

Reducing the toxicity of hybrid halide perovskites is critical in the path toward perovskite photovoltaic commercialization. In this regard, Sn-based halide perovskite compounds, especially inorganic CsSnI3, are emerging as promising alternatives. However, the instability of Sn-based perovskites originated from Sn2+ oxidation remains a serious problem that needs to be addressed. Herein, we propose a facile yet effective galvanic displacement reaction (GDR) method to solve this issue. Using zinc metal powder as an example, the Sn4+ species can be spontaneously and completely reduced via the GDR in precursor solutions in a short time. Meanwhile, this procedure introduces a certain number of external divalent Zn2+ metal ions into the inorganic CsSnI3 perovskite lattice. The introduced Zn2+ is found to weaken the adsorption of water and oxygen molecules on the CsSnI3 crystalline surface, therefore enhancing the ambient stability of the resulting perovskite films. A power conversion efficiency of 8.27% was achieved for inorganic CsSnI3 mesoporous solar cells using a fully printable TiO2/Al2O3/NiO/carbon framework. To the best of our knowledge, this is the highest efficiency for fully inorganic CsSnI3-based mesoporous devices reported so far. Moreover, the devices without encapsulation maintained 86.3% of the initial efficiency after being stored in ambient air for 216 hours. [ABSTRACT FROM AUTHOR]

Mg-Al layered double hydroxides (LDH) (F-MgAl-LDHs and O-MgAl-LDHs) and Mg-Al layered double oxides (LDO) (F-MgAl-LDO and O-MgAl-LDO) nanosheets were prepared using a modified co-precipitation and oven/freeze dry route for adsorption of uranium. The freeze dry could evidently promote the adsorption ability. It's resulted from larger specific surface (F-MgAl-LDO > F-MgAl-LDHs > O-MgAl-LDO > O-MgAl-LDHs) and pore size, as well as sufficient expose of vacant sites in the inner struture of F-MgAl-LDHs and F-MgAl-LDO. The pH, shaking time, initial uranium concentation and temperature influenced the adsorption capacity of F-MgAl-LDHs, O-MgAl-LDHs, F-MgAl-LDO and O-MgAl-LDO, while ionic strength exerted slightly little influence. Na2CO3 highlighted the best desorption effectivity, with desorption efficiency of 97.84% for F-MgAl-LDHs and 98.52% for F-MgAl-LDO, respectively. It is noteworthy that maximum adsorption capacity of F-MgAl-LDO reached 1099.93 mg/g, locating the top rank in the uranium-specific adsorbents. The adsorption conformed to the pseudo-second-order model, indicating chemical adsorption in nature. The thermodynamic was also investigated. The adsorption mechanism was determined that M-O and C-O bonds participated the complex process in the uranium adsorption. The study proposed the freeze dry as an efficient method to promote adsorbent performance. [ABSTRACT FROM AUTHOR]

CsPbCl3 has gained enormous attention since its discovery and showed great potential in ultraviolet photodetectors over the past few years. Processing CsPbCl3 films through traditional solution methods hits a bottleneck due to their extremely poor precursor solubility. Here, high quality CsPbCl3 films were fabricated through vacuum thermal evaporation without the limitation of solubility. The structure of the evaporated CsPbCl3 films is a tetragonal phase with lattice constants different from those in common open source databases. The properties were thus first revealed by experimental characterization methods and theoretical calculations. Then, CsPbCl3 based photodetectors were constructed with evaporated pentacene films as a heterointerface layer to suppress severe charge recombination at the interfaces. The dark current of these photodetectors based on CsPbCl3–pentacene hybrid films decreases by more than two orders of magnitude, obtaining an enhanced on/off ratio, responsivity, and detectivity of 1.08 × 106, 248 mA W−1, and 2.04 × 1013 Jones with growth values of 34 000%, 35%, and 12 000%, respectively. These are benefitted greatly from the optimized surface morphology and carrier transport, which is evidenced by experiments and density functional theory (DFT) calculations. CsPbCl3 based photodetector arrays were further constructed, achieving character recording. The additional pentacene film in the devices showed an effect on image denoising. Our work provides a feasible method for constructing high performance ultraviolet photodetectors, enlightening the significance of material combination for other optoelectronic devices. [ABSTRACT FROM AUTHOR]