Designing small organic molecular NIR-II fluorophores by ring strain modulation.

Developing small molecular organic fluorophores in the second near-infrared window (NIR-II, 1000-1700 nm) with excellent photophysical properties is an ongoing pursuit for bioimaging and biosensing. Herein, we report a strategy to modulate the optical properties of xanthene-based fluorophores by manipulating their ring strain through fine-tuning the ring size, which strongly influences the rigidity and planarity of the conjugated structure, thereby impacting their optical characteristics. Additionally, the ring strain imparts varying responsiveness to the fluorophores by affecting the p values through spirocyclization.

The c.119-123dup5bp mutation in human γC-crystallin destabilizes the protein and activates the unfolded protein response to cause highly variable cataracts.

Ordered cellular architecture and high concentrations of stable crystallins are required for the lens to maintain transparency. Here we investigate the molecular mechanism of cataractogenesis of the CRYGC c.119-123dupGCGGC (p.

[1+5] Cyclization of Indoline-Derived Azadienes with 1,3,5-Triazinanes: An Efficient Protocol for the Synthesis of Indoline-Spiro-Hexahydropyrimidines.

An unprecedented formal [1+5] cyclization of indoline-derived azadienes with 1,3,5-triazinanes has been realized, providing a facile access to biologically important indoline-spiro-hexahydropyrimidines with good to excellent yields (up to 99 % yield). Different from previous reports, this is the first study that indoline-derived azadienes could participate in cyclizations as one-atom synthons. This methodology is also distinguished by not involving any additive or catalyst, readily available starting materials, wide range of substrate applicability, operational simplicity and simultaneously reassembling two C-N and two C-C bonds in one-step reaction.

Information extraction from historical well records using a large language model.

To reduce environmental risks and impacts from orphaned wells (abandoned oil and gas wells), it is essential to first locate and then plug these wells. Manual reading and digitizing of information from historical documents is not feasible, given the large number of wells. Here, we propose a new computational approach for rapidly and cost-effectively characterizing these wells.

Highly Oriented and Ordered Co-Assembly Monolayers for Inverted Perovskite Solar Cells.

Perovskite solar cells with inverted architecture have remarkable power conversion efficiency (PCE) and operating stability based on self-assembled molecules (SAMs) hole transport layer. Homogeneous distribution and covalent binding mode of SAM monolayers are critical to improving interfacial property and reducing interfacial losses, which can be achieved through molecular design and co-assembly strategy. Here, we propose co-assembly strategy with SAM by employing a novel 2D π-conjugated structure graphdiyne derivative (PAG) with phosphoric acid groups.

Exploration of urease-aided calcium carbonate mineralization by enzyme analyses of strain NS-6.

Urease containing nickel cofactor is crucial for urea-hydrolytic induced calcium carbonate (CaCO) precipitation (UICP). However, limited information exists regarding the influence of amino acid residues interacting with nickel ions in its structure on induced CaCO mineralization. Herein, RT-qPCR was used to demonstrate that the addition of NiCl dramatically upregulated the expression of urease structural gene that was correlated with nickel binding in strain NS-6.

An effective design strategy for thermally activated delayed fluorescence emitters with aggregation-induced emission to enable sky-blue OLEDs that achieve an EQE of nearly 30.

Pure organic thermally activated delayed fluorescence (TADF) materials hold great promise for efficient organic light-emitting diodes (OLEDs), yet developing high-performance blue TADF materials that integrate short delayed lifetime with aggregation-induced emission (AIE) properties remains a significant challenge. In this study, we developed three highly-efficient blue TADF emitters (32clCBP, 32clCXT and 32PclCXT) featuring AIE character by integrating rigid π-extended donors with different acceptors. Notably, the doped 32PclCXT film achieved an exceptionally high photoluminescence quantum efficiency of up to 99% and a short delayed lifetime of 1.

Docking strategies for predicting protein-ligand interactions and their application to structure-based drug design.

Molecular docking stands as a pivotal element in the realm of computer-aided drug design (CADD), consistently contributing to advancements in pharmaceutical research. In essence, it employs computer algorithms to identify the "best" match between two molecules, akin to solving intricate three-dimensional jigsaw puzzles. At a more stringent level, the molecular docking challenge entails predicting the accurate bound association state based on the atomic coordinates of two molecules.

p-Type AgAuSe Quantum Dots.

Control over the carrier type of semiconductor quantum dots (QDs) is pivotal for their optoelectronic device applications, and it remains a nontrivial and challenging task. Herein, a facile doping strategy via K impurity exchange is proposed to convert the NIR n-type toxic heavy-metal-free AgAuSe (AAS) QDs to p-type. When the dopant reaches saturation at approximately 22.

Shortwave-Infrared Silver Chalcogenide Quantum Dots for Optoelectronic Devices.

Silver chalcogenide (AgX, X = S, Se, Te) semiconductor quantum dots (QDs) have been extensively studied owing to their short-wave infrared (SWIR, 900-2500 nm) excitation and emission along with lower solubility product constant and environmentally benign nature. However, their unsatisfactory photoluminescence quantum yields (PLQYs) make it difficult to obtain optoelectronic devices with high performances. To tackle this challenge, researchers have made great efforts to develop valid strategies to improve the PLQYs of SWIR AgX QDs by suppressing their nonradiative recombination of excitons.

Unlocking Solutions: Innovative Approaches to Identifying and Mitigating the Environmental Impacts of Undocumented Orphan Wells in the United States.

In the United States, hundreds of thousands of undocumented orphan wells have been abandoned, leaving the burden of managing environmental hazards to governmental agencies or the public. These wells, a result of over a century of fossil fuel extraction without adequate regulation, lack basic information like location and depth, emit greenhouse gases, and leak toxic substances into groundwater. For most of these wells, basic information such as well location and depth is unknown or unverified.

Optimizing large-scale CO pipeline networks using a geospatial splitting approach.

CO transport infrastructure is the backbone of carbon capture and storage (CCS) technology for the mitigation of carbon emissions and project deployment viability. In conventional large-scale CO pipeline network designs, the storage sites are generally assumed as the centroids of the major geologic basins, however, this approach might provide suboptimal solutions since the large extension of some storage formations significantly increases the length of the CO transportation networks. To address this situation and obtain optimal pipeline routes, we present a novel geospatial splitting framework that partitions large basins into multiple sub-sinks.

Direct Synthesis for Benzofuro[3,2-d]pyrimidin-2-Amines via One-Pot Cascade [4+2] Annulation/Aromatization between Benzofuran-Derived Azadienes and Carbodiimide Anions.

The chemoselective [4+2] annulation/aromatization reactions between benzofuran-derived azadienes and N-Ts cyanamides are developed, affording a convenient method for synthesizing benzofuro[3,2-d]pyrimidin-2-amines under mild conditions. Herein, N-Ts cyanamides participated in reactions selectively via carbodiimide anion intermediates and the corresponding cyanamide anion intermediates derived products were not observed. The proposed chemoselective stepwise reaction mechanism was well supported by DFT calculations.

Negative corona discharge strategy for efficient quantum dot light-emitting diodes.

In colloid quantum dot light-emitting diodes (QLEDs), the control of interface states between ZnO and quantum dots (QDs) plays a vital role. We present a straightforward and efficient method using a negative corona discharge to modify the QD film, creating a dipole moment at the interface of QDs and magnesium-doped ZnO (ZnMgO) for balanced charge carrier distribution within the QDs. This process boosts external quantum efficiencies in red, green, and blue QLEDs to 17.

Sustainable energy solutions: Well retrofit analysis and emission reduction for a net-zero future in the Intermountain West, United States of America.

To achieve net-zero emissions by 2050, we need economic means of sequestering carbon dioxide (CO) and reducing greenhouse gas emissions (GHG). We analyze the sequestration potential of the Intermountain West (I-West) region, US, as a primary energy transition hub through analysis of wellbore retrofit potential and emission reduction in both fugitive gas abatement and flare gas. We selected the I-West region due to its abundant energy sources and oil and gas production legacy.

Considerable Piezochromism in All-Inorganic Zero-Dimensional Perovskite Nanocrystals via Pressure-Modulated Self-Trapped Exciton Emission.

Piezochromic materials refer to a class of matters that alter their photoluminescence (PL) colors in response to the external stimuli, which exhibit promising smart applications in anti-counterfeiting, optoelectronic memory and pressure-sensing. However, so far, most reported piezochromic materials have been confined to organic materials or hybrid materials containing organic moieties with limited piezochromic range of less than 100 nm in visible region. Here, we achieved an intriguing piezochromism in all-inorganic zero-dimensional (0D) CsCuCl nanocrystals (NCs) with a considerable piezochromic range of 232 nm because of their unique inorganic rigid structure.

Personal understanding of the extraction or rescue on severe periodontitis teeth.

To keep or extract severe periodontitis damaged teeth is one of the controversial topics in the dentistry from ancient times to present. From different perspectives, professions, technologies, time, and economics, there may be different choices with unidentified consensus. Based on the author's own understanding, experience, literature review, and other aspects, this article proposes some exchange views on influencing factors, abandoning consideration, preserving possibility, and how to detect and prevent the development of lesions.

Bioactive Ceria Nanoenzymes Target Mitochondria in Reperfusion Injury to Treat Ischemic Stroke.

Overproduction of reactive oxygen species by damaged mitochondria after ischemia is a key factor in the subsequent cascade of damage. Delivery of therapeutic agents to the mitochondria of damaged neurons in the brain is a potentially promising targeted therapeutic strategy for the treatment of ischemic stroke. In this study, we developed a ceria nanoenzymes synergistic drug-carrying nanosystem targeting mitochondria to address multiple factors of ischemic stroke.

The long-term efficacy and safety of apatinib are inferior to sorafenib in the first-line treatment of advanced hepatocellular carcinoma: A systematic review and meta-analysis.

Background: Apatinib, a novel tyrosine kinase inhibitor independently developed by China, has been widely used in the treatment of advanced hepatocellular carcinoma (HCC) in recent years. For more than a decade, sorafenib has been the classic first-line treatment option for patients with advanced HCC. However, the results of clinical studies comparing the efficacy and safety of these 2 drugs are still controversial.

Is radiotherapy necessary for upper rectal cancer underwent curative resection? A retrospective study of 363 patients.

Background: To investigate the impact of radiotherapy (RT) on recurrence and survival in patients with locally advanced upper rectal cancer underwent curative resection.

Methods: 363 locally advanced upper rectal cancer cases were identified from the database of our hospital from 2010 to 2018. All patients underwent curative resection and had the lower margin of the tumor located 10-15 cm from the anal verge, among them, 69 patients received pre- or post-operative radiotherapy and 294 patients without.

Pressure-Modulated Interface Engineering toward Realizing Core@Shell Configuration Transition.

The strained interface of core@shell nanocrystals (NCs) can effectively modulate the energy level alignment, thereby significantly affecting the optical properties. Herein, the unique photoluminescence (PL) response of doped Mn ions is introduced as a robust probe to detect the targeted pressure-strain relation of CdS@ZnS NCs. Results show that the core experiences actually less pressure than the applied external pressure, attributed to the pressure-induced optimized interface that reduces the compressive strain on core.