Insight into room-temperature catalytic oxidation of NO by CrO2(110): A DFT study

The first-principles DFT calculations together with microkinetic analysis reveal the complex catalytic mechanism of low-content NO oxidation on CrO₂(110) at room temperature. It quantitatively makes clear that CrO₂(110) can exhibit considerable activity with the Mars-van-Krevelen mechanism preferred, and the nitrate species serves as the key poisoning species.     

Design optimization of a Class VII Flextensional Transducer

Class VII Flextensional Transducers (FTs) have been proposed as a means of overcoming the limitation of very high prestress in Class IV FTs. These transducers are made from shells shaped like dog bone and hence are also known as dog-bone shell transducers. In this work, we report design optimization of a low frequency aluminum shell Class VII FT, resonating at 2.5 kHz, using piezoelectric drive. Two and three dimensional Finite Element Modeling (FEM), with the help of a commercially available package ATILA have been used for the design optimization. Dimensional details of the base model have been adapted from previous literature. Parametric analyses have been done with respect to various aspects like type of rubber, shell height, shell material, etc. in order to optimize the design. Experimental results obtained from an initial prototype are also presented. The results match fairly well with the predicted values.     

胆碱氧化酶功能化室温磷光量子点的制备及其对氯化胆碱的定量检测

环境友好型纳米生物传感器能够提高传统生物分子传感器的检测性能，在实际应用中具有重要的应用价值。本研究以胆碱氧化酶（ChOx）为模板，在室温（25 ℃）下通过矿化作用制备了一种ChOx功能化的室温磷光（RTP）量子点（QDs）（ChOx RTP QDs）纳米生物传感器，并利用ChOx与氯化胆碱的特异性酶-底物反应和光诱导的电子转移（PIET）实现了对氯化胆碱（Cho）的RTP定量检测。该纳米生物传感器对氯化胆碱检测的线性范围为0.05~20 mmol/L，检出限为0.02 mmol/L。该方法基于QDs的RTP性质，可以有效地避免生物样品背景荧光的干扰，且无需复杂的样品前处理过程，因此该方法较适合于生物样品中氯化胆碱的定量检测。     

Generating Artificial Reverberation via Genetic Algorithms for Real-Time Applications

We introduce a Virtual Studio Technology (VST) 2 audio effect plugin that performs convolution reverb using synthetic Room Impulse Responses (RIRs) generated via a Genetic Algorithm (GA). The parameters of the plugin include some of those defined under the ISO 3382-1 standard (e.g., reverberation time, early decay time, and clarity), which are used to determine the fitness values of potential RIRs so that the user has some control over the shape of the resulting RIRs. In the GA, these RIRs are initially generated via a custom Gaussian noise method, and then evolve via truncation selection, random weighted average crossover, and mutation via Gaussian multiplication in order to produce RIRs that resemble real-world, recorded ones. Binaural Room Impulse Responses (BRIRs) can also be generated by assigning two different RIRs to the left and right stereo channels. With the proposed audio effect, new RIRs that represent virtual rooms, some of which may even be impossible to replicate in the physical world, can be generated and stored. Objective evaluation of the GA shows that contradictory combinations of parameter values will produce RIRs with low fitness. Additionally, through subjective evaluation, it was determined that RIRs generated by the GA were still perceptually distinguishable from similar real-world RIRs, but the perceptual differences were reduced when longer execution times were used for generating the RIRs or the unprocessed audio signals were comprised of only speech.     

Preparation of two-dimensional molybdenum disulfide for NO2 detection at room temperature

In this work, the two-dimensional MoS₂ film was prepared by sulfuring the molybdenum atomic layer on SiO₂/Si substrate. The reaction temperature, heating rate, holding time and carrier gas flow rate were investigated comprehensively. The quality of MoS₂ film was characterized by optical microscopy, atomic force microscopy, Raman and photoluminescence spectroscopy. The characterization results showed that the optimum synthesis parameters were heating rate of 25 °C/min, reaction temperature of 750 °C, holding time of 30 min and carrier gas velocity of 100 sccm. The MoS₂ gas sensor was fabricated and its gas sensing performance was tested. The test results indicated that the sensor had a good response to both reducing gas (NH₃) and oxidizing gas (NO₂) at room temperature. The sensitivity to 100 ppm of NO₂ was 31.3%, and the response/recovery times were 4 s and 5 s, respectively. In addition, the limit of detection could be as low as 1 ppm. This work helps us to develop low power and integrable room temperature NO₂ sensors.     

9-(4-溴丁基)-9H-咔唑的相转移催化合成、表征及室温磷光性能研究——推荐一个大学化学综合实验

推荐了一个大学化学综合实验"9-(4-溴丁基)-9H-咔唑的相转移催化合成、表征及室温磷光性能研究"。实验利用相转移催化合成9-(4-溴丁基)-9H-咔唑分子,采用核磁共振、高分辨质谱和红外光谱对其分子结构进行表征,并利用紫外-可见吸收光谱、稳态/瞬态荧光光谱和密度泛函(DFT)理论计算对其室温磷光性能进行研究。本综合实验涵盖了有机化学、分析化学、物理化学、仪器分析以及理论化学的知识点,建议纳入化学专业高年级综合实验课程。     

Amperometric Detection of Ethanol Vapors by Screen Printed Electrodes Modified by Paper Crowns Soaked with Room Temperature Ionic Liquids

A convenient assembly recently proposed for screen printed gold electrodes (SPEs) suitable for measurements in gaseous samples is here tested for the analysis of the ethanol content in alcoholic drinks. This assembly involves the use of a circular crown of filter paper, soaked in the room temperature ionic liquid (RTIL) 1-butyl-3-methylimidazolium hydrogen sulfate, which is simply placed upon a disposable screen printed cell, so as to contact the outer edge of the gold disc working electrode, as well as peripheral counter and reference electrodes. The electrical contact between the paper crown soaked in RTIL and the SPE electrode is assured by a gasket and all components are installed in a polylactic acid holder. This assembly provides a portable and disposable electrochemical platform, assembled by the easy immobilization onto a porous and inexpensive supporting material such as paper of a RTIL characterized by profitable electrical conductivity and negligible vapor pressure. The electroanalytical performance of this device was assayed for the flow injection analysis of the ethanol concentration in some real samples of wine and beer and the results obtained are compared with the alcoholic degree reported in the relevant bottle-labels, thus highlighting a substantially satisfactory agreement. Repeatable sharp peaks (RSD=6–8 %) were detected for ethanol over a wide linear range (1–20 % v/v in water) and a detection and quantitation limit of 0.55 % v/v and 1.60 % v/v were inferred for a signal-to-noise ratio of 3 and 10, respectively.     

Modulating Triplet Excited States of Organic Semiconductors via Tuning Molecular Conformation for Dual-ratiometric Thermometers

The dual-ratiometric thermometry is one of highly accurate methods for microscopic thermal measurement in biological systems. Herein, a series of chromone derivatives with noncovalently intramolecular interactions (NIIs) were designed and synthesized for ratiometric thermometers. The triplet states of these organic compounds were systematically tuned upon regulating the conformation with NIIs to yield efficient room temperature phosphorescence and large wavelength difference between fluorescence and phosphorescence simultaneously. As a result, an unprecedent organic 3D dual-ratiometric thermometer was established based on the intensity ratio and lifetime ratio of fluorescence/phosphorescence vs temperature, which was used for in vitro and in vivo bio-thermometry with high accuracy. This work provides a novel method to achieve organic dual ratiometric thermometers via tuning the triplet excited states.     

Supercooled Liquids with Dynamic Room Temperature Phosphorescence Using Terminal Hydroxyl Engineering

Dynamic room temperature phosphorescence (RTP) materials have potential applications in optoelectronics, which inevitably suffer from poor processability, flexibility or stretchability. Herein, we report a concise strategy to develop supercooled liquids (SCLs) with dynamic RTP behavior using terminal hydroxyl engineering. The terminal hydroxyls effectively hinder the nucleation process of molecules for the formation of stable SCLs after thermal annealing. Impressively, the SCLs show reversible RTP emission via alternant stimulation by UV light and heat. Photoactivated SCLs have phosphorescent efficiency of 8.50 % and a lifetime of 31.54 ms under ambient conditions. Regarding the dynamic RTP behavior and stretchability of SCLs, we demonstrate the applications in erasable data encryption and patterns on flexible substrates. This finding provides a design principle for obtaining SCLs with RTP and expands the potential applications of RTP materials in flexible optoelectronics.     

Ultralow-loss Optical Waveguides through Balancing Deep-Blue TADF and Orange Room Temperature Phosphorescence in Hybrid Antimony Halide Microstructures

Harnessing the potential of thermally activated delayed fluorescence (TADF) and room temperature phosphorescence (RTP) is crucial for developing light-emitting diodes (LEDs), lasers, sensors, and many others. However, effective strategies in this domain are still relatively scarce. This study presents a new approach to achieving highly efficient deep-blue TADF (with a PLQY of 25 %) and low-energy orange RTP (with a PLQY of 90 %) through the fabrication of lead-free hybrid halides. This new class of monomeric and dimeric 0D antimony halides can be facilely synthesized using a bottom-up solution process, requiring only a few seconds to minutes, which offer exceptional stability and nontoxicity. By leveraging the highly adaptable molecular arrangement and crystal packing modes, the hybrid antimony halides demonstrate the ability to self-assemble into regular 1D microrod and 2D microplate morphologies. This self-assembly is facilitated by multiple non-covalent interactions between the inorganic cores and organic shells. Notably, these microstructures exhibit outstanding polarized luminescence and function as low-dimensional optical waveguides with remarkably low optical-loss coefficients. Therefore, this work not only presents a pioneering demonstration of deep-blue TADF in hybrid antimony halides, but also introduces 1D and 2D micro/nanostructures that hold promising potential for applications in white LEDs and low-dimensional photonic systems.