Band 40/41 Surface Acoustic Wave Filters on 42°YX-Lithium Tantalate Substrate with Suppression of Transverse Leakage.

The transverse leakage of leaky surface acoustic waves (LSAWs) occurs on 42°YX-lithium tantalate substrates (42LT), which increases the insertion loss, narrows the bandwidth and flattens the roll-off of band 40/41 SAW filters and duplexers. In this work, LSAW characteristics with different metal materials and thicknesses are calculated by the finite element method (FEM), which determines the IDT material and thickness used for band 40/41 SAW filter design. To deeply understand transverse leakage and suppress it, the effects of different gap and dummy lengths on transverse leakage are simulated and discussed. Then, a new technique of using a wider dummy without any additional lithographic or depositing processes is proposed to suppress the leakage. Its effectiveness is validated by both simulations and experiments. Then, the technique is extended to applications of band 40 and 41 SAW filters. The experimental results show that with the wider dummy structure, the band 40 and 41 SAW filters achieve a more than 0.2 dB improvement in the insertion loss, a wider bandwidth and a steeper roll-off characteristic. This technique may also be extended to the other band SAW filter applications.

Corrigendum: Phosphate solubilizing microorganisms as a driving force to assist mine phytoremediation.

[This corrects the article DOI: 10.3389/fbioe.2023.1201067.].

Synthesis and Biological Activity Evaluation of Benzoxazinone-Pyrimidinedione Hybrids as Potent Protoporphyrinogen IX Oxidase Inhibitor.

Protoporphyrinogen IX oxidase (PPO/Protox, E.C. 1.3.3.4) is recognized as one of the most important targets for herbicide discovery. In this study, we report our ongoing research efforts toward the discovery of novel PPO inhibitors. Specifically, we identified a highly potent new compound series containing a pyrimidinedione moiety and bearing a versatile building block-benzoxazinone scaffold. Systematic bioassays resulted in the discovery of compound 7af, ethyl 4-(7-fluoro-6-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)-3-oxo-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)butanoate, which exhibited broad-spectrum and excellent herbicidal activity at the dosage of 37.5 g a.i./ha through postemergence application. The inhibition constant (Ki) value of 7af to Nicotiana tabacum PPO (NtPPO) was 14 nM, while to human PPO (hPPO), it was 44.8 µM, indicating a selective factor of 3200, making it the most selective PPO inhibitor to date. Moreover, molecular simulations further demonstrated the selectivity and the binding mechanism of 7af to NtPPO and hPPO. This study not only identifies a candidate that showed excellent in vivo bioactivity and high safety toward humans but also provides a paradigm for discovering PPO inhibitors with improved performance through molecular simulation and structure-guided optimization.

Discovery of a Subnanomolar Inhibitor of Protoporphyrinogen IX Oxidase via Fragment-Based Virtual Screening.

Protoporphyrinogen IX oxidase (PPO, E.C. 1.3.3.4), a key functional enzyme existing in various organisms, is acknowledged to be one of the most important action targets in the development of herbicides due to its pivotal roles in chlorophyll and heme biosynthesis pathways. As our persistent research work on the discovery of novel PPO-inhibiting herbicides, a new compound methyl 2-((5-(3-chloro-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-fluorobenzo[d]thiazol-2-yl)thio)acetate (8aj, Ki = 16 nM) was screened out as a hit compound via a fragment-based virtual screening method performed in the Auto Core Fragment in silico Screening web server. Subsequently, through a fused process of "hit-to-lead" optimization guided by molecular simulation, a total of 30 3-chloro-4,5,6,7-tetrahydro-2H-indazol-benzo[d]thiazole derivatives were synthesized and characterized. The results of the enzymatic inhibition bioassay showed that more than half of the newly synthesized compounds displayed higher activity against Nicotiana tabacum PPO (NtPPO) than oxadiazon, a commercial PPO-inhibiting herbicide. In particular, compound 8ab, a subnanomolar inhibitor with a Ki value of 380 pM against NtPPO, was discovered, which showed to be 71-fold more active than the commercial control oxadiazon (Ki = 27 nM), and was proven to be the most potent PPO inhibitor so far. Furthermore, the greenhouse assay demonstrated that most of the synthetic compounds showed good herbicidal activity toward the tested weeds. Especially, compound 8ad (Ki = 670 pM) showed the most promising post-emergence herbicidal activity with a broad spectrum of weed control even at a concentration as low as 37.5 g a.i./ha and relatively safe to rice at a dosage of 150 g a.i./ha, indicating that 8ad has the greatest potential to be developed as a new herbicide for weed control in paddy fields. This work provides a paradigm for the rational design and discovery of a novel PPO-inhibiting herbicide guided by the fragment-based drug design.

Engineering single-domain antibodies targeting Gasdermin E activation by the chemotherapeutic agent cis-diaminodichloroplatinum.

As mediators of pyroptosis, gasdermins (GSDMs) are closely associated with systemic cytotoxicity or so-called side effects and are also involved in the inflammatory response during chemotherapy. Using in situ proximity ligation assay followed by sequencing (isPLA-seq), which we recently developed, we screened a single-domain antibody (sdAb) library and identified several sdAbs against Gasdermin E (GSDME) that specifically recognize the N-terminal domain (1-270 aa) of GSDME (GSDME-NT). One of them mitigated the release of inflammatory damage-associated molecular patterns (DAMPs) and cytokines, including high mobility group protein b1 (Hmgb1) and interleukin-1ß (Il-1ß), in isolated mouse alveolar epithelial cells (AECs) upon chemotherapeutic agent cis-diaminodichloroplatinum (CDDP) treatment. Further investigation showed that this anti-GSDME sdAb also alleviated CDDP-induced pyroptotic cell death and lung tissue injury and decreased systemic Hmgb1 release in C57/BL6 mice, due to GSDME inactivation. Collectively, our data define an inhibitory role of the specific sdAb against GSDME, providing a potential strategy for systemically alleviating chemotherapeutic toxicities in vivo.

The Al-Containing Silicates Modified with Organic Ligands and SnO2 Nanoparticles for Catalytic Baeyer-Villiger Oxidation and Aerobic Carboxylation of Carbonyl Compounds.

The Baeyer-Villiger Oxidation (BVO) of ketones and aldehydes produce lactones and formates, while aerobic carboxylation of aldehydes manufactures carboxylic acids, both having high added value. This work prepared a series of Al-containing silicates modified with organic ligands and SnO2 nanoparticles, which were then employed as catalyst in BVO and carboxylation. Characterizations revealed the morphology of the synthesized catalyst was changed from micron-sized thin sheets to smaller blocks, and then to uniform nanoparticles (size of 50 nm) having the doped SnO2 nanoparticles with a size of 29 nm. All catalysts showed high BET surface areas featuring silt-like mesopores. In determining the priority of BVO and carboxylation, an influence evaluation of the parameters showed the order to be substrate > oxidant > solvent > catalyst. Cyclic aliphatic ketones were suitable for BVO, but linear aliphatic and aromatic aldehydes for carboxylation. Coordination of (S)-binaphthol or doping of Sn into catalyst showed little influence on BVO under m-CPBA, but the Sn-doped catalyst largely increased BVO under (NH4)2S2O8 and H2O2. Calculations revealed that the catalyst containing both Al and Sn could give BVO intermediates lower energies than the Sn-beta zeolite model. The present system exhibited merits including wider substrate scope, innocuous catalytic metal, greener oxidant, as well as lower catalyst cost.

Optimization of Surface Acoustic Wave Resonators on 42°Y-X LiTaO3/SiO2/Poly-Si/Si Substrate for Improved Performance and Transverse Mode Suppression.

SAW devices with a multi-layered piezoelectric substrate have excellent performance due to advantages such as a high quality factor, Q, low loss insertion, large bandwidth, etc. Prior to manufacturing, a comprehensive analysis and proper design are essential to evaluating the device's key performance indicators, including the Bode Q value, bandwidth, and transverse mode suppression. This study explored the performance of SAW resonators employing a 42°Y-X LiTaO3 (LT) thin-plate-based multi-layered piezoelectric substrate. The thicknesses for each layer of the 42°Y-X LT/SiO2/poly-Si/Si substrate were optimized according to the index of phase velocity, Bode Q value, and bandwidth. The effect of the device structure parameters on the dispersion curve and slowness curve was studied, and a flat slowness curve was found to be favorable for transverse mode suppression. In addition, the design of the dummy configuration was also optimized for the suppression of spurious waves. Based on the optimized design, a one-port resonator on the 42°Y-X LT/SiO2/poly-Si/Si substrate was fabricated. The simulation results and measurements are presented and compared, which provides guidelines for the design of new types of SAW devices configured with complex structures.

Single-domain antibody screening by isPLA-seq.

Single-domain antibody (sdAb) holds the promising strategies for diverse research and translational applications. Here, we describe a method for the adaptation of the in situ proximity ligation assay (isPLA) followed by sequencing (isPLA-seq) to facilitate screening of a high-sensitive, high-throughput sdAb library for a given protein at subcellular and single-cell resolution. Based on the sequence of complementarity-determining region 3 (CDR3), the recombinant sdAb can be produced for in vitro and in vivo utilities. This method provides a general means to identify the functional measure of sdAb and its complementary epitopes and its potential applications to investigate cellular processes.

Transcriptional coregualtor NUPR1 maintains tamoxifen resistance in breast cancer cells.

To support cellular homeostasis and mitigate chemotherapeutic stress, cancer cells must gain a series of adaptive intracellular processes. Here we identify that NUPR1, a tamoxifen (Tam)-induced transcriptional coregulator, is necessary for the maintenance of Tam resistance through physical interaction with ESR1 in breast cancers. Mechanistically, NUPR1 binds to the promoter regions of several genes involved in autophagy process and drug resistance such as BECN1, GREB1, RAB31, PGR, CYP1B1, and regulates their transcription. In Tam-resistant ESR1 breast cancer cells, NUPR1 depletion results in premature senescence in vitro and tumor suppression in vivo. Moreover, enforced-autophagic flux augments cytoplasmic vacuolization in NUPR1-depleted Tam resistant cells, which facilitates the transition from autophagic survival to premature senescence. Collectively, these findings suggest a critical role for NUPR1 as a transcriptional coregulator in enabling endocrine persistence of breast cancers, thus providing a vulnerable diagnostic and/or therapeutic target for endocrine resistance.

Periodic Analysis of Surface Acoustic Wave Resonator with Dimensionally Reduced PDE Model Using COMSOL Code.

Radio-frequency (RF) surface acoustic wave (SAW) resonators used as filters and duplexers are mass-produced and widely used in current mobile phones. With the numerous emergences of the diverse device structure, a universal method used for the accurate and fast simulation of the SAW resonator calls for urgent demand. However, there are too many instances where the behavior of the entire acoustic resonator cannot be characterized rapidly and efficiently due to limitations in the current computer memory and speed. This is especially true for SAW resonators configured with long arrays of inter-digital transducers (IDTs), and we have to resort to a periodic analysis. In this paper, the previously reported generalized partial differential equations (PDE) based on the two-dimensional finite element method (2D-FEM) model is extended to analysis for the periodic structure of the SAW resonator. We present model order reduction (MOR) techniques based on FEM and periodic boundary conditions to achieve a dimensionally reduced PDE model without decreasing the accuracy of computations. Examples of different SAW devices, including the regular SAW, IHP-SAW and TC-SAW resonators, are provided which shows the results of the periodic analysis compared with the experimental results of the actual resonators. The investigation results demonstrate the properties of the proposed methodology and prove its effectiveness and accuracy.

Combination of AAV­mediated NUPR1 knockdown and trifluoperazine induces premature senescence in human lung adenocarcinoma A549 cells in nude mice.

Nuclear protein 1 (NUPR1)/p8, a transcriptional regulator, has the ability to facilitate lung cancer cell survival. Adeno­associated virus (AAV)­based vectors are efficient vehicles for gene transfer and expression. In this study, an AAV­mediated NUPR1 shRNA vector was constructed that effectively inhibited the expression of NUPR1 in a tumor xenograft model derived from lung adenocarcinoma A549 cells. Trifluoperazine (TFP), which is an antipsychotic drug, has the ability to bind to NUPR1 and mimic NUPR1 deficiency in cancer cells. It was also found that the combination of TFP and AAV­mediated NUPR1 shRNA delivery led to significant tumor growth inhibition in nude mice bearing human lung cancer xenografts. Moreover, AAV­mediated NUPR1 shRNA therapy induced premature senescence in vitro and in vivo. Collectively, the findings of this study suggest a putative role for the combination of AAV­NUPR1 shRNA and TFP in lung cancer therapy.

Synthesis and Photoinduced Anisotropy of Polymers Containing Nunchaku-Like Unit with an Azobenzene and a Mesogen.

A series of polymers containing nunchaku-like unit with an azo chromophore and a mesogen group was successfully prepared and photoinduced anisotropy of the obtained polymers was minutely investigated. Firstly, monomers containing nunchaku-like unit with an azo chromophore and a mesogen group linked by flexible group were synthesized. The structure of the monomers was confirmed via NMR COSY spectra. Subsequently, the obtained monomers were polymerized into corresponding polymers through RAFT polymerization. The prepared polymer samples were characterized through NMR, FTIR, gel permeation chromatography (GPC), and UV-vis testing while the thermal properties of the samples were investigated through differential scanning calorimeter (DSC) and thermogravimetric analysis (TGA) measurements. The photoinduced isomerization of the polymers, which was researched in situ via measuring UV-vis spectra of the polymer solutions and spin-coated films under irradiation with 450 nm light or putting in darkness, demonstrated the rapid trans-cis-trans isomerization of the polymers. When irradiated with a linearly polarized light, significant photoinduced birefringence and dichroism were observed, suggesting photoinduced isomerization of azobenzene can drive orientation of mesogen in the system. This study blazes a way to design the optical materials with light-controllable birefringence and dichroism.

Biochar increases plant growth and alters microbial communities via regulating the moisture and temperature of green roof substrates.

Green roofs have increasingly been designed and applied to relieve environmental problems, such as water loss, air pollution as well as heat island effect. Substrate and vegetation are important components of green roofs providing ecosystem services and benefiting the urban development. Biochar made from sewage sludge could be potentially used as the substrate amendment for green roofs, however, the effects of biochar on substrate quality and plant performance in green roofs are still unclear. We evaluated the effects of adding sludge biochar (0, 5, 10, 15 and 20%, v/v) to natural soil planted with three types of plant species (ryegrass, Sedum lineare and cucumber) on soil properties, plant growth and microbial communities in both green roof and ground ecosystems. Our results showed that sludge biochar addition significantly increased substrate moisture, adjusted substrate temperature, altered microbial community structure and increased plant growth. The application rate of 10-15% sludge biochar on the green roof exerted the most significant effects on both microbial and plant biomass by 63.9-89.6% and 54.0-54.2% respectively. Path analysis showed that biochar addition had a strong effect on microbial biomass via changing the soil air-filled porosity, soil moisture and temperature, and promoted plant growth through the positive effects on microbial biomass. These results suggest that the applications of biochar at an appropriate rate can significantly alter plant growth and microbial community structure, and increase the ecological benefits of green roofs via exerting effects on the moisture, temperature and nutrients of roof substrates.

Room-Temperature Ammonia Sensor Based on ZnO Nanorods Deposited on ST-Cut Quartz Surface Acoustic Wave Devices.

Using a seed layer-free hydrothermal method, ZnO nanorods (NRs) were deposited on ST-cut quartz surface acoustic wave (SAW) devices for ammonia sensing at room temperature. For a comparison, a ZnO film layer with a thickness of 30 nm was also coated onto an ST-cut quartz SAW device using a sol-gel and spin-coating technique. The ammonia sensing results showed that the sensitivity, repeatability and stability of the ZnO NR-coated SAW device were superior to those of the ZnO film-coated SAW device due to the large surface-to-volume ratio of the ZnO NRs.

Room-temperature NH3 gas sensors based on Ag-doped γ-Fe2O3/SiO2 composite films with sub-ppm detection ability.

In this report, NH3 gas sensors based on Ag-doped γ-Fe2O3/SiO2 composite films are investigated. The composite films were prepared with a sol-gel process, and the films' electrical resistance responded to the change of NH3 concentration in the environment. The SEM and AFM investigations showed that the films had a porous structure, and the XRD investigation indicated that the size of Ag particles changed with the modification of Ag loading content. Through a comparative gas sensing study among the Ag-doped composite films, undoped composite film, γ-Fe2O3 film, and SiO2 film, the Ag-doped composite films were found to be much more sensitive than the sensors based on the undoped composite film and γ-Fe2O3 film at room temperature, indicating the significant influences of the SiO2 and Ag on the sensing property. Moreover, the sensor based on Ag-doped (4%) γ-Fe2O3/SiO2 composite film was able to detect the NH3 gas at ppb level. Conversely, the responses of the sensor to other test gases (C2H5OH, CO, H2, CH4 and H2S) were all markedly low, suggesting excellent selectivity.

Surface acoustic wave ammonia sensor based on ZnO/SiO2 composite film.

A surface acoustic wave (SAW) resonator with ZnO/SiO2 (ZS) composite film was used as an ammonia sensor in this study. ZS composite films were deposited on the surface of SAW devices using the sol-gel method, and were characterized using SEM, AFM, and XRD. The performance of the sensors under ammonia gas was optimized by adjusting the molar ratio of ZnO:SiO2 to 1:1, 1:2 and 1:3, and the sensor with the ratio of ZnO to SiO2 equaling to 1:2 was found to have the best performance. The response of sensor was 1.132 kHz under 10 ppm NH3, which was much higher than that of the sensor based on a pristine ZnO film. Moreover, the sensor has good selectivity, reversibility and stability at room temperature. These can be attributed to the enhanced absorption of ammonia and unique surface reaction on composite films due to the existence of silica.

Highly sensitive room-temperature surface acoustic wave (SAW) ammonia sensors based on Co3O4/SiO2 composite films.

Surface acoustic wave (SAW) sensors based on Co3O4/SiO2 composite sensing films for ammonia detection were investigated at room temperature. The Co3O4/SiO2 composite films were deposited onto ST-cut quartz SAW resonators by a sol-gel method. SEM and AFM characterizations showed that the films had porous structures. The existence of SiO2 was found to enhance the ammonia sensing property of the sensor significantly. The sensor based on a Co3O4/SiO2 composite film, with 50% Co3O4 loading, which had the highest RMS value (3.72), showed the best sensing property. It exhibited a positive frequency shift of 3500 Hz to 1 ppm ammonia as well as excellent selectivity, stability and reproducibility at room temperature. Moreover, a 37% decrease in the conductance of the composite film as well as a positive frequency shift of 12,500 Hz were observed when the sensor was exposed to 20 ppm ammonia, indicating the positive frequency shift was derived from the decrease in film conductance.