3D Structure Research Articles

Symmetry-Constrained Properties Behave Differently for 2D or 3D Structures under the Same Point Group.

In chemistry and physics, two molecules belonging to the same point group are expected to behave similarly regarding various properties, following their character tables. Here, we show that the derivative of the dipole moment with respect to the normal coordinate of vibration might show different symmetry constraints if the molecule is planar, even if these molecules belong to the same point group. Examples of pairs of molecules featuring these conditions are presented. These findings open a new path toward a much deeper understanding of how 2D materials behave so differently compared to 3D materials featuring the very same atoms and arrangements (graphene and graphite, for example); chemists and physicists dealing with 2D materials could benefit from looking more deeply into pure mathematical relations that might be governing 2D systems in a different way when compared to 3D systems. The aid from mathematicians is welcomed.

An Ultramicroporous Graphene-Based 3D Structure Derived from Cellulose-Based Biomass for High-Performance CO2 Capture.

The use of powered activated carbon is often limited by inconsistent particle sizes and porosities, leading to reduced adsorption efficiencies. In this study, we demonstrated a practical and environmentally friendly method for creating a 3D graphene nanostructure with highly uniform ultramicropores from wood-based biomass through a series of delignification, carbonization, and activation processes. In addition, we evaluated the capture characteristics of this structure for CO2, CH4, and N2 gases as well as its selectivity for binary-mixture gases. Based on textural and chemical analyses, the delignified monolith had a lamellar structure interconnected by cellulose-based fibers. Interestingly, applying the KOH vapor activation technique solely to the delignified samples led to the formation of a monolithic 3D network composed of interconnected graphene sheets with a high degree of crystallinity. Especially, the Act. 1000 sample exhibited a specific surface area of 1480 m2/g and a considerable pore volume of 0.581 cm3/g, featuring consistently uniform ultramicropores over 90% in the range of 3.5-11 Å. The monolithic graphene-based samples, predominantly composed of ultramicropores, demonstrated a notably heightened capture capacity of 6.934 mol/kg at 110 kPa for CO2, along with favorable selectivity within binary gas mixtures (CO2/N2, CO2/CH4, and CO2/CH4). Our findings suggest that this biomass-derived 3D structure has the potential to serve as a monolithic adsorbent in gas separation applications.

Cardiac MRI segmentation using shifted-window multilayer perceptron mixer networks

Objectives. In this work, we proposed a deep-learning segmentation algorithm for cardiac magnetic resonance imaging to aid in contouring of the left ventricle, right ventricle, and Myocardium (Myo). Approach. We proposed a shifted window multilayer perceptron (Swin-MLP) mixer network which is built upon a 3D U-shaped symmetric encoder-decoder structure. We evaluated our proposed network using public data from 100 individuals. The network performance was quantitatively evaluated using 3D volume similarity between the ground truth contours and the predictions using Dice score coefficient, sensitivity, and precision as well as 2D surface similarity using Hausdorff distance (HD), mean surface distance (MSD) and residual mean square distance (RMSD). We benchmarked the performance against two other current leading edge networks known as Dynamic UNet and Swin-UNetr on the same public dataset. Results. The proposed network achieved the following volume similarity metrics when averaged over three cardiac segments: Dice = 0.952 ± 0.017, precision = 0.948 ± 0.016, sensitivity = 0.956 ± 0.022. The average surface similarities were HD = 1.521 ± 0.121 mm, MSD = 0.266 ± 0.075 mm, and RMSD = 0.668 ± 0.288 mm. The network shows statistically significant improvement in comparison to the Dynamic UNet and Swin-UNetr algorithms for most volumetric and surface metrics with p-value less than 0.05. Overall, the proposed Swin-MLP mixer network demonstrates better or comparable performance than competing methods. Significance. The proposed Swin-MLP mixer network demonstrates more accurate segmentation performance compared to current leading edge methods. This robust method demonstrates the potential to streamline clinical workflows for multiple applications.

Structural Evolution and Photoluminescence Quenching across the FASnI3-xBrx (x = 0-3) Perovskites.

One of the primary methods for band gap tuning in metal halide perovskites has been halide (I/Br) mixing. Despite widespread usage of this type of chemical substitution in perovskite photovoltaics, there is still little understanding of the structural impacts of halide alloying, with the assumption being the formation of ideal solid solutions. The FASnI3-xBrx (x = 0-3) family of compounds provides the first example where the assumption breaks down, as the composition space is broken into two unique regimes (x = 0-2.9; x = 2.9-3) based on their average structure with the former having a 3D and the latter having an extended 3D (pseudo 0D) structure. Pair distribution function (PDF) analyses further suggest a dynamic 5s2 lone pair expression resulting in increasing levels of off-centering of the central Sn as the Br concentration is increased. These antiferroelectric distortions indicate that even the x = 0-2.9 phase space behaves as a nonideal solid-solution on a more local scale. Solid-state NMR confirms the difference in local structure yielding greater insight into the chemical nature and local distributions of the FA+ cation. In contrast to the FAPbI3-xBrx series, a drastic photoluminescence (PL) quenching is observed with x ≥ 1.9 compounds having no observable PL. Our detailed studies attribute this quenching to structural transitions induced by the distortions of the [SnBr6] octahedra in response to stereochemically expressed lone pairs of electrons. This is confirmed through density functional theory, having a direct impact on the electronic structure.

Metaheuristic Optimization of Functionally Graded 2D and 3D Discrete Structures Using the Red Fox Algorithm

Metaheuristic Optimization of Functionally Graded 2D and 3D Discrete Structures Using the Red Fox Algorithm

Long-range gene editing of LMNA

Abstract Funding Acknowledgements Type of funding sources: Foundation. Main funding source(s): Hartstichting (Dutch Heart Foundation) Background Mutations in the LMNA gene commonly affect the cardiac muscle tissue, which leads to the development of a severe dilated cardiomyopathy with life-threatening arrhythmias. The lack of response to conventional heart failure therapy in these patients indicates the urgent need for new therapies. Gene editing has the potential to become a curative treatment for these patients by correcting the genetic cause of the disease. Prime editing is a promising new gene editing technology, which uses a prime editing guide RNA (pegRNA) to target a specific genetic locus and creates edits using a reverse-transcriptase enzyme linked to a Cas9-nickase. Purpose Conventional prime-editing technology targets one mutation per pegRNA. However, with more than 600 disease-causing mutations described in LMNA, the feasibility of applying this technology to each mutation is limited. Therefore, we aim to target not a single, but a set of mutations with one single pegRNA. Methods The pegRNAs are optimised by selecting the optimal target regions, improving their stability and 3D structure. The in vitro editing efficiency is assessed using the fluoPEER reporter plasmid, transfected into HEK293T cells. Using flow cytometry, expression of mCherry fluorescent protein is detected following successful editing of the target mutation. Results Flow-cytometry analysis of treated cells revealed an editing efficiency of 12% with a long-range pegRNA targeting a full exon, compared to 15% with a conventional short pegRNA targeting the same mutation <10bp downstream of the Cas9 nick site. This editing efficiency using the same long-range pegRNA was retained at 9% when editing at a distant position >100bp downstream of the nick site. To increase the editing efficiency, we improved the stability of the pegRNAs by the addition of different 3’ structural motifs. This resulted in an increased editing efficiencies of 15% and 17% for nearby and distant mutations, respectively. Conclusion We show that it is possible to edit different mutations within a range of up to 120 bp with a single pegRNA. By optimisations of the pegRNA 3D structure and optimal selection of target locations we aim to further improve the editing efficiency of this system. This work could eventually provide a prime editing therapy able to cure disease in a subset of patients carrying different mutations in the same genetic region. For LMNA-associated diseases this would substantially reduce the number of pegRNAs that have to be developed to cover all mutations, greatly improving the feasibility of prime editing therapy.

Shape Programming of Porous Bilayer Hydrogel Structures

Abstract Shape-programmable materials have garnered significant attention for their ability to morph into complex three-dimensional (3D) configurations under external stimuli, with critical applications in the fields of biomedical engineering, soft robotics, and sensing technologies. A current challenge lies in determining the geometric parameters of the initial two-dimensional (2D) structure and the intensity of the external stimulus required to achieve a target 3D shape. In this work, we introduce a novel inverse design strategy based on hole pattern engineering. Utilizing a temperature-sensitive bilayer hydrogel with differing coefficients of thermal expansion in each layer, we achieve controlled bending deformations by varying the porosity distribution in one of the layers. Drawing on the Timoshenko theory on bimetallic beam, we establish a quantitative relationship between porosity and curvature, allowing for the hole distribution of the initial structure to be tailored to the desired curvature. We demonstrate the efficacy of our inverse design approach with several prototypical 3D structures, including variable-curvature strip and ellipsoidal surface, validated through finite element simulations and experimental trials. This strategy paves the way for advanced fabrication techniques in developing smart materials and devices with programmable shapes.

Construction of 3D nanostructures on carbon fiber surfaces by sizing for preparing high‐performance composites

AbstractPoor interfacial adhesion between carbon fibers (CF) and the resin matrix has been a limiting factor in advancing the properties of composites. To address this challenge, this study employs the sizing method to coat carbon nanotubes (CNTs) and hexagonal boron nitride nanosheets (h‐BN) onto the CF surface. The 3D structures formed by strategic of combination 1D and 2D nanomaterials, markedly enhances the mechanical, thermal and frictional properties of CF composites. The results reveal a significant boost in the flexural strength, flexural modulus, interlaminar shear strength and interfacial shear strength of the prepared CF composites, registering increases of 53.96%, 60.41%, 55.58% and 55.35%, respectively. These advancements stem from the heightened surface reactivity and roughness of the fibers, facilitated by the synergistic interactions between CNTs and BN. Furthermore, the thermal conductivity of the composites exhibits a remarkable increase of 63.56%, attributed to the synergistic coupling between CF and BN, establishing an efficient thermal conductivity pathway within the composites. This research provides a highly effective approach for crafting high‐performance CF composites.Highlights Construction of 3D network structures on CF surfaces by the sizing method. Synergistic coupling between BN and CNT enhances composite properties. Synergistic enhancement of friction and thermal properties of CF composites.

Conducting Polymers–Metal Chalcogenides Hybrid Composite: Current Trends and Future Prospects Toward Supercapacitor Applications

Conducting polymers have grown in popularity as electrode materials in supercapacitors due to their polymeric mechanical structure and outstanding conductivity. Nanostructured conducting polymers, in particular, have been the focus due to unique properties such as higher surface area, shorter diffusion lengths for ion transport, and a high electrochemical nature. Nonetheless, the volumetric expansion of conducting polymer electrodes after long charge–discharge cycles reduces capacitance retention. Metal chalcogenides, on the other hand, are distinguished from other metallic compounds by their distinctive 2D structure, large theoretical capacities, abundant electrochemical active sites, and tunable shape, enabling them as a potential candidature when combined with conducting polymers to produce a composite material taking “material mutualism” to enhance the properties. Hence, the review focuses on recent advancement in the field of creating conducting polymers–metal chalcogenides composite for supercapacitors. It especially covers how nanoarchitecture, composition, and doping affect the electrochemical characteristics of these composites. A brief introduction of several synthesis procedures is also offered, which includes chemical approaches with and without templates or binder additives. Furthermore, noteworthy works on the fabrication of symmetric and asymmetric devices are highlighted.

Programmed multimaterial assembly by synergized 3D printing and freeform laser induction

In nature, structural and functional materials often form programmed three-dimensional (3D) assembly to perform daily functions, inspiring researchers to engineer multifunctional 3D structures. Despite much progress, a general method to fabricate and assemble a broad range of materials into functional 3D objects remains limited. Herein, to bridge the gap, we demonstrate a freeform multimaterial assembly process (FMAP) by integrating 3D printing (fused filament fabrication (FFF), direct ink writing (DIW)) with freeform laser induction (FLI). 3D printing performs the 3D structural material assembly, while FLI fabricates the functional materials in predesigned 3D space by synergistic, programmed control. This paper showcases the versatility of FMAP in spatially fabricating various types of functional materials (metals, semiconductors) within 3D structures for applications in crossbar circuits for LED display, a strain sensor for multifunctional springs and haptic manipulators, a UV sensor, a 3D electromagnet as a magnetic encoder, capacitive sensors for human machine interface, and an integrated microfluidic reactor with a built-in Joule heater for nanomaterial synthesis. This success underscores the potential of FMAP to redefine 3D printing and FLI for programmed multimaterial assembly.

Molecular and Evolution In Silico Studies Unlock the h4-HPPD C-Terminal Tail Gating Mechanism

The enzyme 4-hydroxyphenylpyruvate dioxygenase (4-HPPD) is involved in the catabolism of the amino acid tyrosine in organisms such as bacteria, plants, and animals. It catalyzes the conversion of 4-hydroxyphenylpyruvate to a homogenisate in the presence of molecular oxygen and Fe(II) as a cofactor. This enzyme represents a key step in the biosynthesis of important compounds, and its activity deficiency leads to severe, rare autosomal recessive disorders, like tyrosinemia type III and hawkinsinuria, for which no cure is currently available. The 4-HPPD C-terminal tail plays a crucial role in the enzyme catalysis/gating mechanism, ensuring the integrity of the active site for catalysis through fine regulation of the C-terminal tail conformation. However, despite growing interest in the 4-HPPD catalytic mechanism and structure, the gating mechanism remains unclear. Furthermore, the absence of the whole 3D structure makes the bioinformatic approach the only possible study to define the enzyme structure/molecular mechanism. Here, wild-type 4-HPPD and its mutants were deeply dissected by applying a comprehensive bioinformatics/evolution study, and we showed for the first time the entire molecular mechanism and regulation of the enzyme gating process, proposing the full-length 3D structure of human 4-HPPD and two novel key residues involved in the 4-HPPD C-terminal tail conformational change.

Digital light processing based multimaterial 3D printing: challenges, solutions and perspectives

Abstract Multimaterial (MM) 3D printing shows great potential for application in metamaterials, flexible electronics, biomedical devices and robots, since it can seamlessly integrate distinctive materials into one printed structure. Among numerous MM 3D printing technologies, digital light processing (DLP) MM 3D printing is compatible with a wide range of materials from hydrogels to ceramics, and can print MM 3D structures with high resolution, high complexity and fast speed. This paper introduces the fundamental mechanisms of DLP 3D printing, and reviews the recent advances of DLP MM 3D printing technologies with emphasis on material switching methods and material contamination issues. It also summarizes a number of typical examples of DLP MM 3D printing systems developed in the past decade, and introduces their system structures, working principles, material switching methods, residual resin removal methods, printing steps, as well as the representative structures and applications. Finally, we provide perspectives on the directions of the further development of DLP MM 3D printing technology.

MagIC-Cryo-EM: Structural determination on magnetic beads for scarce macromolecules in heterogeneous samples.

Cryo-EM single-particle analyses typically require target macromolecule concentration at 0.05~5.0 mg/ml, which is often difficult to achieve. Here, we devise Magnetic Isolation and Concentration (MagIC)-cryo-EM, a technique enabling direct structural analysis of targets captured on magnetic beads, thereby reducing the targets' concentration requirement to < 0.0005 mg/ml. Adapting MagIC-cryo-EM to a Chromatin Immunoprecipitation protocol, we characterized structural variations of the linker histone H1.8-associated nucleosomes that were isolated from interphase and metaphase chromosomes in Xenopus egg extract. Combining Duplicated Selection To Exclude Rubbish particles (DuSTER), a particle curation method that removes low signal-to-noise ratio particles, we also resolved the 3D cryo-EM structures of H1.8-bound nucleoplasmin NPM2 isolated from interphase chromosomes and revealed distinct open and closed structural variants. Our study demonstrates the utility of MagIC-cryo-EM for structural analysis of scarce macromolecules in heterogeneous samples and provides structural insights into the cell cycle-regulation of H1.8 association to nucleosomes.

Microsphere-assisted hyperspectral imaging: super-resolution, non-destructive metrology for semiconductor devices

As semiconductor devices shrink and their manufacturing processes advance, accurately measuring in-cell critical dimensions (CD) becomes increasingly crucial. Traditional test element group (TEG) measurements are becoming inadequate for representing the fine, repetitive patterns in cell blocks. Conventional non-destructive metrology technologies like optical critical dimension (OCD) are limited due to their large spot diameter of approximately 25 μm, which impedes their efficacy for detailed in-cell structural analysis. Consequently, there is a pressing need for small-spot and non-destructive metrology methods. To address this limitation, we demonstrate a microsphere-assisted hyperspectral imaging (MAHSI) system, specifically designed for small spot optical metrology with super-resolution. Utilizing microsphere-assisted super-resolution imaging, this system achieves an optical resolution of 66 nm within a field of view of 5.6 μm × 5.6 μm. This approach effectively breaks the diffraction limit, significantly enhancing the magnification of the system. The MAHSI system incorporating hyperspectral imaging with a wavelength range of 400–790 nm, enables the capture of the reflection spectrum at each camera pixel. The achieved pixel resolution, which is equivalent to the measuring spot size, is 14.4 nm/pixel and the magnification is 450X. The MAHSI system enables measurement of local uniformity in critical areas like corners and edges of DRAM cell blocks, areas previously challenging to inspect with conventional OCD methods. To our knowledge, this approach represents the first global implementation of microsphere-assisted hyperspectral imaging to address the metrology challenges in complex 3D structures of semiconductor devices.

Stepwise ordering under nano-scale confinement in thin silica films

The phase transition from an amorphous 2D structure to a crystalline 3D structure under confinement is a fascinating and challenging problem in materials science and condensed matter physics. This work reports the Field Emission Scanning Electron Microscopy (FESEM) and energy dispersive analysis of X-rays (EDAX), X-ray diffraction (XRD), X-ray reflectivity (XRR), Fourier Transform Infrared Spectroscopy (FTIR) studies on pristine silica thin films. Silica was deposited on pristine Al (001) substrate (Alfa-Aesar) from tetraethyl orthosilicate (TEOS) precursor and thin films were spin-coated at different spinning frequencies under ambient conditions. The samples are highly porous and in-plane porosity varies from 30% to 60% as analyzed from both the FESEM and XRR and with increasing spinning frequency pores become more ordered. XRR shows that the samples are composed of two layers, a thick layer of aluminum oxide (Al2O3) as buffer layer and a layer of SiO2 on the top of the film. XRR shows sharp ordering rather than any layering. The film thickness varies from 90[Formula: see text]Å to 200[Formula: see text]Å and it shows a linear decay in the thickness of silica layer. In between 1000 and 1500[Formula: see text]rpm, XRR shows a sharp drop in the thickness of silica layer where thickness of this layer falls below the unit-cell dimension indicating higher-ordered crystallization under strained condition. XRD shows that there are no crystalline peaks coming from silica at lower rpm except the peaks of Al coming from the substrate. At 1000, 1200 and 1500[Formula: see text]rpm there is peak corresponding to the quartz, highly crystalline phase of SiO2 and where the substrate is slightly modified Al2O3. Reflection from (101) plane is prominent in all the films and it gives indication of formation 3D crystalline phase. Whereas FTIR shows that the Si–O stretching modes exhibit sharper and more defined reflectance peak compared to the broad bands observed in the samples in lower rpm. Observations suggest a clear indication of progressive ordering under confinement. To one extent, the results of XRR and FESEM will suggest the mechanism of transition from 2D amorphous to 3D crystalline phase under geometrical confinement effect and total confinement effect arising from thinning of the films with the increasing rpm, interfacial effect and on the other hand XRD and FTIR results will explain high ordering under confinement without any layering.

Ultrathin 2D Alloyed Cu−Ga−Zn−S Curved Nanobelts for Boosting Visible‐Light Photocatalytic Hydrogen Evolution

Abstract2D semiconductor nanomaterials have received significant attention as photocatalysts for solar‐to‐hydrogen conversion due to their robust light absorption capacity, large specific surface area, and superior electron transport characteristics. Nevertheless, it is challenging to develop 2D quaternary copper‐based sulfides (QCSs) with functional integration of conducive structural features for photocatalysis from multiple elements and intricate control conditions. Herein, ultrathin 2D alloyed Cu−Ga−Zn−S (CGZS) curved nanobelts (NBs) are fabricated by using a facile one‐pot colloidal method. Subsequently, the derived Cu31S16‐CGZS Janus heterostructures are designed by increasing Cu concentrations. The formation mechanism of 2D curved alloys and Janus heterostructures is systematically investigated. Without cocatalysts, curved alloyed CGZS NBs demonstrated superior photocatalytic activities of 1264.2 µmol g−1 h−1 compared to Janus heterostructured Cu31S16−CGZS (463.1 µmol g−1 h−1) under visible light (&gt; 400 nm). Experimental and theoretical results unveiled that the improved photocatalytic activities of curved CGZS NBs can be attributed to enhanced charge–carrier separation efficiency resulting from high crystallinity and ultrathin 2D structure, abundant active sites from curved structure, high‐active (0001) crystal facet with the lowest reaction Gibbs energy, work function, and metal‐like properties. This work offers new insights into functional integration into ultrathin 2D QCSs with enhanced visible‐light photocatalytic performance.

Self‐Assembled Molecules Fostering Ordered Spatial Heterogeneity for Efficient Ruddlesden‐Popper Perovskite Solar Cells

Abstract2D Ruddlesden‐Popper perovskites (RPP) with formamidinium‐cesium (FAC) alloyed cations possess powerful thermal‐moisture stability. However, their photovoltaic performance is hindered by the elusive spatial heterogeneity at multiscale lengths, highly associated with their coupled charge selective contacts. Herein, it reports on how the rational formation of self‐assembly molecules (SAMs) govern the orderliness of the spatial heterogeneity and crystal growth model in FACs‐RPP films, which is proposed to dictate the charge‐carrier dynamics. Unlike the disordered RPP film driven by the amorphous polymeric contacts, the laterally ordered crystallized SAM contacts facilitate a spatially ordered 2D/3D heterogeneity of FACs‐RPP film in long range, where distinct minor 2D phases are tightly coupled in short range. Such ordered heterogeneity can improve the energy transfer efficiency, facilitating the charge‐carrier dynamics in a well‐aligned 2D/3D landscape is discovered. Finally, the champion solar cells using selective SAM‐based FACs‐RPP films (n = 5) yield an efficiency of 18.85% (certified 18.19%) and excellent damp‐heat/operational stability, ranking in the top league of reported 2D RPP solar cells. More importantly, this SAM‐based principle can be adapted to diverse 2D structures, active areas, and substrate types. This work provides design directions for leveraging bottom‐selective contacts to tune spatial heterogeneity in state‐of‐the‐art 2D RPP optoelectronics.

Targeting an Old Foe for Cancer: A Molecular Dynamics Perspective to Unravel the Specific Binding Nature of 2-Methoxy Estradiol to Human β-Tubulin Isotypes.

Microtubules, composed of α- and β-tubulin subunits are crucial for cell division with their dynamic tissue-specificity which is dictated by expression of isotypes. These isotypes differ in carboxy-terminal tails (CTTs), rich in negatively charged acidic residues in addition to the differences in the composition of active site residues. 2-Methoxy estradiol (2-ME) is the first antimicrotubule agent that showed less affinity toward hemopoietic-specific β1 isotype consequently preventing myelosuppression toxicity. The present study focuses on the MD-directed conformational analysis of 2-ME and estimation of its binding affinity in the colchicine binding pocket of various β-tubulin isotypes combined with the α-tubulin isotype, α1B. AlphaFold 2.0 was used to predict the 3D structure of phylogenetically divergent human β-tubulin isotypes in dimer form with α1B. The dimeric complexes were subjected to induced-fit docking with 2-ME. The statistical analysis of docking showed differences in the binding characteristics of 2-ME with different isotypes. The replicas of atom-based molecular dynamic simulations of the best conformation of 2-ME provided insights into the molecular-level details of its binding pattern across the isotypes. Furthermore, the MM/GBSA analyses revealed the specific binding energy profile of 2-ME in β-tubulin isotypes. It also highlighed, 2-ME exhibits the lowest binding affinity toward the β1 isotype as supported by experimental study. The present study may offer useful information for designing next-generation antimicrotubule agents that are more specific and less toxic.

Core proteome mediated subtractive approach for the identification of potential therapeutic drug target against the honeybee pathogen Paenibacillus larvae.

American foulbrood (AFB), caused by the highly virulent, spore-forming bacterium Paenibacillus larvae, poses a significant threat to honey bee brood. The widespread use of antibiotics not only fails to effectively combat the disease but also raises concerns regarding honey safety. The current computational study was attempted to identify a novel therapeutic drug target against P. larvae, a causative agent of American foulbrood disease in honey bee. We investigated effective novel drug targets through a comprehensive in silico pan-proteome and hierarchal subtractive sequence analysis. In total, 14 strains of P.larvae genomes were used to identify core genes. Subsequently, the core proteome was systematically narrowed down to a single protein predicted as the potential drug target. Alphafold software was then employed to predict the 3D structure of the potential drug target. Structural docking was carried out between a library of phytochemicals derived from traditional Chinese flora (n>36,000) and the potential receptor using Autodock tool 1.5.6. Finally, molecular dynamics (MD) simulation study was conducted using GROMACS to assess the stability of the best-docked ligand. Proteome mining led to the identification of Ketoacyl-ACP synthase III as a highly promising therapeutic target, making it a prime candidate for inhibitor screening. The subsequent virtual screening and MD simulation analyses further affirmed the selection of ZINC95910054 as a potent inhibitor, with the lowest binding energy. This finding presents significant promise in the battle against P. larvae. Computer aided drug design provides a novel approach for managing American foulbrood in honey bee populations, potentially mitigating its detrimental effects on both bee colonies and the honey industry.

Structural Colored Based Humidity Sensor Consisting of High Resolution 3D Printed Photonic Crystal Coated with Ultrathin Responsive Hydrogels.

Today, humidity sensors have become an integral part of the daily lives. In particular, humidity sensors using an electronic measuring principle have become the standard. Although these sensors have proven to be a stable measurement method, they have some disadvantages, such as their long response time or the danger of using them in explosiveenvironments. This work introduces photonic crystals as an alternative optical measurement approach. The novel technology of ultra-fast two-photon polymerisation printing is combined with a thin-film deposition process, namely iCVD. This allows to print large area high-precision 3D templates, which are subsequently coated with a humidity responsive hydrogel thin film (p(HEMA) of 20nm.The limits of 2PP technology are being pushed allowing the production ofs table and periodic large-area 3D structures. The flexible customization of hydrogels for ambient conditions make them exceptionally promising for a wide range of sensing applications. Additionally, optical methods for measuring humidity seem to be an excellent alternative to overcome the limitations for current state of the art humidity sensors. The optical detection of changes in ambient air humidity is achieved by observing color changes of the printed structure within the visible wavelength range.