Mixed-anion compounds have attracted growing attentions, but their synthesis is challenging, making a rational search desirable. Here, we explored LaF 3 -LaX 3 (X=Cl, Br, I) system using ab initio structure searches b...
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Mixed-anion compounds have attracted growing attentions, but their synthesis is challenging, making a rational search desirable. Here, we explored LaF 3 -LaX 3 (X=Cl, Br, I) system using ab initio structure searches based on evolutionary algorithms, and predicted LaF 2 X and LaFX 2 (X=Br, I), which are respectively isostructural with LaHBr 2 and YH 2 I, consisting of layered La-F blocks with single and double ordered honeycomb lattices, separated by van der Waals gaps. We successfully synthesized these compounds: LaF 2 Br and LaFI 2 crystallize in the predicted structure, while LaF 2 I is similar to the predicted one but with different layer stacking. LaF 2 I exhibits fluoride ion conductivity comparable to that of non-doped LaF 3 , and has the potential to show better ionic conductivity upon appropriate doping, given the theoretically lower diffusion energy barrier and the presence of soft iodine anions. This study shows the structure prediction using evolutionary algorithms will accelerate the discovery of mixed-anion compounds in future, in particular those with an ordered anion arrangement.
BACKGROUND:Effective management of hyperlipidemia is crucial for preventing cardiovascular diseases. However, traditional monitoring systems often lack efficiency, particularly in navigating electronic health records ...
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BACKGROUND:Effective management of hyperlipidemia is crucial for preventing cardiovascular diseases. However, traditional monitoring systems often lack efficiency, particularly in navigating electronic health records (EHRs) to identify and track at-risk patients.
OBJECTIVE:This study aims to evaluate the impact of a Hyperlipidemia Medication Reminder System (HLD-MRS) implemented in a district hospital to streamline EHR navigation and enhance patient management.
METHODS:A pre-post prospective study was conducted at a district hospital. This study designed the HLD-MRS to integrate patient data, guideline recommendations, and risk factor assessments into a single interface, simplifying EHR navigation. This study compared EHR navigation times and patient tracking rates before and after HLD-MRS implementation across the Cardiology, Endocrinology, and Family Medicine departments.
RESULTS:Among 750 patients with follow-up appointments, 334 were identified as having HLD or being at high-risk status. The HLD-MRS significantly reduced mean EHR navigation time from 83.9 s (SD = 8.6) to 53.8 s (SD = 6.6) across all departments (p < 0.001). The proportion of actively monitored HLD patients increased from 42.5 % to 56.6 %, while cases with unknown or withheld assessment status decreased from 57.5 % to 28.4 %.
CONCLUSION:The HLD-MRS improved efficiency in EHR navigation and increased the frequency of active patient monitoring. This guideline-driven decision support system shows promise for enhancing hyperlipidemia care in high-volume outpatient settings.
A series of carbazole-dendronized tris(2,4,6-trichlorophenyl)methyl (TTM) radicals have been synthesized. The photophysical properties of dendronized radicals up to the fourth generation were compared systematically t...
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A series of carbazole-dendronized tris(2,4,6-trichlorophenyl)methyl (TTM) radicals have been synthesized. The photophysical properties of dendronized radicals up to the fourth generation were compared systematically to understand how structure–property relationships evolve with generation. The photoluminescence quantum yield (PLQY) was found to increase with the increasing generation, and the fourth generation (G4TTM) in cyclohexane solution showed a PLQY as high as 63 % at a wavelength of 627 nm (in the deep-red region) from the doublet state. The dendron modification strategy also showed a blue-shift of the emission on increasing the generation number, and the photostability was also increased compared to the bare TTM radical.
The proton-coupled electron transfer (PCET) mechanism of the oxygen reduction reaction (ORR) is a long-standing enigma in electrocatalysis. Despite decades of research, the factors determining the microscopic mechanis...
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The proton-coupled electron transfer (PCET) mechanism of the oxygen reduction reaction (ORR) is a long-standing enigma in electrocatalysis. Despite decades of research, the factors determining the microscopic mechanism of ORR-PCET as a function of pH, electrolyte, and electrode potential remain unresolved, even on the prototypical Pt(111) surface. Herein, we integrate advanced experiments, simulations, and theory to uncover the mechanism of the cation effects on alkaline ORR on well-defined Pt(111). We unveil a dual-cation effect where cations simultaneously determine i) the active electrode surface by controlling the formation of Pt−O and Pt−OH overlayers and ii) the competition between inner- and outer-sphere PCET steps. The cation-dependent transition from Pt−O to Pt−OH determines the ORR mechanism, activity, and selectivity. These findings provide direct evidence that the electrolyte affects the ORR mechanism and performance, with important consequences for the practical design of electrochemical systems and computational catalyst screening studies. Our work highlights the importance of complementary insight from experiments and simulations to understand how different components of the electrochemical interface contribute to electrocatalytic processes.
State of the art natural language processing tools are built on context-dependent word embeddings, but no direct method for evaluating these representations currently exists. Standard tasks and datasets for intrinsic ...
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Internet of Things (IoT) has attracted extensive interest from both academia and industries, and is recognized as an ultimate infrastructure to connect everything at anytime and anywhere. The implementation of IoT gen...
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Internet of Things (IoT) has attracted extensive interest from both academia and industries, and is recognized as an ultimate infrastructure to connect everything at anytime and anywhere. The implementation of IoT generally faces the challenges from energy constraint and implementation cost. In this paper, we will introduce a new green communication paradigm, the ambient backscatter (AmBC), that could utilize the environmental wireless signals for both powering a tiny-cost device and backscattering the information symbols. Specifically, we will present the basic principles of AmBC, analyze its features and advantages, suggest its open problems, and predict its potential applications for our future IoT.
Recently, modified hydrotalcite-like materials featuring layers of metal oxides have gained significant attention as improved supports for nanoparticles (NPs) due to their well electronic effects that intrinsically st...
Recently, modified hydrotalcite-like materials featuring layers of metal oxides have gained significant attention as improved supports for nanoparticles (NPs) due to their well electronic effects that intrinsically stabilize the deposited NPs. This research presents a refined methodology for synthesizing palladium nanoparticles (Pd NPs) using green tea extract-modified zinc-aluminum mixed oxides (Zn(Al)O/GT extract/Pd NPs). Green tea extract serves as a platform and a green reducing agent, enabling the in situ formation of Pd NPs without the use of harsh chemicals. This innovative approach represents the first occasion of designing and bio-generating Pd NPs coordinated on Zn(Al)O mixed oxides, along with their catalytic effects for the cyanation of aryl halides. The physicochemical properties of the resulting materials were evaluated utilizing a range of techniques including FE-SEM, elemental mapping, EDX, TEM, and ICP-OES analysis. The Zn(Al)O/GT extract/Pd NPs nanocatalyst showed exceptional catalytic efficiency as a recyclable platform for the cyanation of iodo- and bromo-benzene derivatives, employing K 4 [Fe(CN) 6 ] as the cyanating sorce. The obtained benzonitriles were produced in good yields, and the catalyst demonstrated the capacity to be reused up to 7 runs with only a minimal reduction in its efficacy.
T cells exercise a multitude of functions such as cytotoxicity, secretion of immunomodulating cytokines or regulation of tolerance, collectively resulting in an effective control of immune-related disease. Through the...
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T cells exercise a multitude of functions such as cytotoxicity, secretion of immunomodulating cytokines or regulation of tolerance, collectively resulting in an effective control of immune-related disease. Through the unique mechanism of V(D)J recombination, T cells express a highly specific receptor complex known as the T-cell receptor (TCR). Single-cell sequencing technologies have paved the road for interrogating the transcriptome and the paired αβ TCR repertoire of a single T cell in tandem. In contrast, conventional bulk methods are restricted to only one layer of information. This combination of transcriptomic- and repertoire information can provide novel insight into the functional character of T cell immunity. Recently, single-cell technologies have gained in popularity due to improvements in throughput, decrease in cost and the ability for multimodal experiments that integrate different information layers. Consequently, this prompts the need for the development of novel computational tools that integrate transcriptomic profiles and corresponding features of the TCR repertoire. Here we discuss the current progress in the field of single-cell T cell sequencing, with a focus on the multimodality of new approaches that allow the paired profiling of cellular phenotype and clonotype information. In addition, this review provides detailed descriptions of recent computational developments for analyzing single-cell TCR sequencing data in an integrative manner using novel computational approaches. Finally, we present an overview of the available software tools that can be used to perform integrative analysis of gene expression and TCR profiles.
The toxicity of drugs causes various adverse effects in patients. While antidotes that neutralize drug toxicity help reduce systemic damage during clinical therapy, these antidotes are generally accompanied by the los...
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The toxicity of drugs causes various adverse effects in patients. While antidotes that neutralize drug toxicity help reduce systemic damage during clinical therapy, these antidotes are generally accompanied by the loss of drug efficacy. Herein, the spatiotemporally targeted polycystine-based nanoantidotes were designed as a neutralizer of cisplatin (CDDP) to decrease its toxicity without affecting its anticancer efficacy. The nanoantidotes administered before CDDP selectively accumulated in the liver and kidney and then firmly bound to CDDP through the highly stable Pt−S bond during subsequent chemotherapy. This two-step administration strategy reduced the level of Pt in normal organs, shortened the half-life of CDDP in plasma, and increased the tolerance to CDDP. More importantly, the nanoantidotes maintained the anticancer efficacy of CDDP after reducing systemic toxicity, indicating its great potential in expanding the clinical application of CDDP.
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