Sequence Design Using RNAstructure.

RNA is present in all domains of life. It was once thought to be solely involved in protein expression, but recent advances have revealed its crucial role in catalysis and gene regulation through noncoding RNA. With a growing interest in exploring RNAs with specific structures, there is an increasing focus on designing RNA structures for in vivo and in vitro experimentation and for therapeutics. The development of RNA secondary structure prediction methods has also spurred the growth of RNA design software. However, there are challenges to designing RNA sequences that meet secondary structure requirements. One major challenge is that the secondary structure design problem is likely NP-hard, making it computationally intensive. Another issue is that objective functions need to consider the folding ensemble of RNA molecules to avoid off target structures. In this chapter, we provide protocols for two software tools from the RNAstructure package: "Design" for structured RNA sequence design and "orega" for unstructured RNA sequence design.

Electromagnetic Interference Shielding Films: Structure Design and Prospects.

The popularity of portable and wearable flexible electronic devices, coupled with the rapid advancements in military field, requires electromagnetic interference (EMI) shielding materials with lightweight, thin, and flexible characteristics, which are incomparable for traditional EMI shielding materials. The film materials can fulfill the above requirements, making them among the most promising EMI shielding materials for next-generation electronic devices. Meticulously controlling structure of composite film materials while optimizing the electromagnetic parameters of the constructed components can effectively dissipate and transform electromagnetic wave energy. Herein, the review systematically outlines high-performance EMI shielding composite films through structural design strategies, including homogeneous structure, layered structure, and porous structure. The attenuation mechanism of EMI shielding materials and the evaluation (Schelkunoff theory and calculation theory) of EMI shielding performance are introduced in detail. Moreover, the effect of structure attributes and electromagnetic properties of composite films on the EMI shielding performance is analyzed, while summarizing design criteria and elucidating the relevant EMI shielding mechanism. Finally, the future challenges and potential application prospects of EMI shielding composite films are prospected. This review provides crucial guidance for the construction of advanced EMI shielding films tailored for highly customized and personalized electronic devices in the future.

High-Performance Stretchable Strain Sensors Based on Auxetic Fabrics for Human Motion Detection.

Wearable strain sensors play a pivotal role in real-time human motion detection and health monitoring. Traditional fabric-based strain sensors, typically with a positive Poisson's ratio, face challenges in maintaining sensitivity and comfort during human motion due to conflicting resistance changes in different strain directions. In this work, high-performance stretchable strain sensors are developed based on graphene-modified auxetic fabrics (GMAF) for human motion detection in smart wearable devices. The proposed GMAF sensors, with a negative Poisson's ratio achieved through commercially available warp-knitting technology, exhibit an 8-fold improvement in sensitivity compared to conventional plain fabric sensors. The unique auxetic fabric structure enhances sensitivity by synchronizing resistance changes in both wale and course directions. The GMAF sensors demonstrate excellent washability, showing only slight degradation in auxeticity and an acceptable increase in resistance after 10 standard wash cycles. The GMAF sensors maintain stability under different strain levels and various motion frequencies, emphasizing their dynamic performance. The sensors exhibit superior conformability to joint movements, which effectively monitor a full range of motions, including joint bending, sports activities, and subtle actions like coughing and swallowing. The research underscores a promising approach to achieve industrial-scale production of wearable sensors with improved performance and comfort through fabric structure design.

[Structural design of "fitness" and "feasibility" of body-fitted stent and its mechanical analysis].

To address the conflict between the "fitness" and "feasibility" of body-fitted stents, this paper investigates the impact of various smoothing design strategies on the mechanical behaviour and apposition performance of stent. Based on the three-dimensional projection method, the projection region was fitted with the least squares method (fitting orders 1-6 corresponded to models 1-6, respectively) to achieve the effect of smoothing the body-fitted stent. The simulation included the crimping and expansion process of six groups of stents in stenotic vessels with different degrees of plaque calcification. Various metrics were analyzed, including bending stiffness, stent ruggedness, area residual stenosis rate, contact area fraction, and contact volume fraction. The study findings showed that the bending stiffness, stent ruggedness, area residual stenosis rate, contact area fraction and contact volume fraction increased with the fitting order's increase. Model 1 had the smallest contact area fraction and contact volume fraction, 77.63% and 83.49% respectively, in the incompletely calcified plaque environment. In the completely calcified plaque environment, these values were 72.86% and 82.21%, respectively. Additionally, it had the worst "fitness". Models 5 and 6 had similar values for stent ruggedness, with 32.15% and 32.38%, respectively, which indicated the worst "feasibility" for fabrication and implantation. Models 2, 3, and 4 had similar area residual stenosis rates in both plaque environments. In conclusion, it is more reasonable to obtain the body-fitted stent by using 2nd to 4th order fitting with the least squares method to the projected region. Among them, the body-fitted stent obtained by the 2nd order fitting performs better in the completely calcified environment.

The superiority of isomeric, fluorination and curtailed π-conjunction on A-D-A type acceptors for organic photovoltaics.

The performance of organic solar cell (OSC) devices has been significantly enhanced by the dramatic evolution of A-D-A type non-fullerene acceptors (NFAs). Nevertheless, the structure-property-performance relationship of NFAs in the OSC device is unclear. Here, the intrinsic design factors of isomeric, fluorination and π-conjunction curtailing on the photophysical properties of benzodi (thienopyran) (BDTP) (named NBDTP-M, NBDTTP-M, NBDTP-Fin, and NBDTP-Fout)-based NFAs are discussed. The results show that fluorination on the terminal group of NBDTP-Fout could effectively decrease the highest occupied orbital (HOMO) energy level and the lowest unoccupied orbital (LUMO) energy level. And the long π-conjugated donor unit for NBDTTP-M could increase the HOMO energy level and bring a small HOMO-LUMO energy bandgap. Meanwhile, the substitution of external oxygen atoms and the fluorine atoms in the terminal group could introduce positive changes to the electrostatic potential of the NBDTP-Fout, favouring the charge separation at the donor/acceptor interface. Moreover, the structural design of external oxygen atom substitution, fluorination on the terminal group and curtailed π-conjugated donor unit could decrease the electron vibration-coupling of exciton diffusion, exciton dissociation and electronic transfer processes. The suppression of the exciton decay and charge recombination in those high-performance NFAs indicate that the investigated molecular designs could be effective for further improvement of OSCs.

Multi-dimensional microfluidic paper-based analytical devices (µPADs) for noninvasive testing: A review of structural design and applications.

The rapid emergence of microfluidic paper-based devices as point-of-care testing (POCT) tools for early disease diagnosis and health monitoring, particularly in resource-limited areas, holds immense potential for enhancing healthcare accessibility. Leveraging the numerous advantages of paper, such as capillary-driven flow, porous structure, hydrophilic functional groups, biodegradability, cost-effectiveness, and flexibility, it has become a pivotal choice for microfluidic substrates. The repertoire of microfluidic paper-based devices includes one-dimensional lateral flow assays (1D LFAs), two-dimensional microfluidic paper-based analytical devices (2D µPADs), and three-dimensional (3D) µPADs. In this comprehensive review, we provide and examine crucial information related to paper substrates, design strategies, and detection methods in multi-dimensional microfluidic paper-based devices. We also investigate potential applications of microfluidic paper-based devices for detecting viruses, metabolites and hormones in non-invasive samples such as human saliva, sweat and urine. Additionally, we delve into capillary-driven flow alternative theoretical models of fluids within the paper to provide guidance. Finally, we critically examine the potential for future developments and address challenges for multi-dimensional microfluidic paper-based devices in advancing noninvasive early diagnosis and health monitoring. This article showcases their transformative impact on healthcare, paving the way for enhanced medical services worldwide.

Cyclic Peptide Conjugate Vaccines and Physically Mixed Cyclic Peptide Vaccines for Subcutaneous Immunization.

Immune stimulants (adjuvants) enhance immune system recognition to provide an effective and individualized immune response when delivered with an antigen. Synthetic cyclic deca-peptides, co-administered with a toll-like receptor targeting lipopeptide, have shown self-adjuvant properties, dramatically boosting the immune response in a murine model as a subunit peptide-based vaccine containing group A Streptococcus peptide antigens.Here, we designed a novel peptide and lipid adjuvant system for the delivery of group A Streptococcus peptide antigen and a T helper peptide epitope. Following linear peptide synthesis on 2-chlorotrityl chloride resin, the linear peptide was cleaved and head-to-tail cyclized in solution. The selective arrangement of amino acids in the deca-peptide allowed for selective conjugation of lipids and/or peptide antigens following cyclisation. Using both solution-phase peptide chemistry and copper-catalyzed azide-alkyne cycloaddition reaction were covalently (and selectively) ligated lipid and/or peptide antigens onto the cyclic deca-peptide core. Subcutaneous administration of the vaccine design to mice resulted in the generation of a large number of serum immunoglobulin (Ig) G antibodies.

A biomimetic lubricating nanosystem for synergistic therapy of osteoarthritis.

Failure of articular cartilage lubrication and inflammation are the main causes of osteoarthritis (OA), and integrated treatment realizing joint lubrication and anti-inflammation is becoming the most effective treat model. Inspired by low friction of human synovial fluid and adhesive chemical effect of mussels, our work reports a biomimetic lubricating system that realizes long-time lubrication, photothermal responsiveness and anti-inflammation property. To build the system, a dopamine-mediated strategy is developed to controllably graft hyaluronic acid on the surface of metal organic framework. The design constructs a biomimetic core-shell structure that has good dispersity and stability in water with a high drug loading ratio of 99%. Temperature of the solution rapidly increases to 55 °C under near-infrared light, and the hard-soft lubricating system well adheres to wear surfaces, and greatly reduces frictional coefficient by 75% for more than 7200 times without failure. Cell experiments show that the nanosystem enters cells by endocytosis, and releases medication in a sustained manner. The anti-inflammatory outcomes validate that the nanosystem prevents the progression of OA by down-regulating catabolic proteases and pain-related genes and up-regulating genes that are anabolic in cartilage. The study provides a bioinspired strategy to employ metal organic framework with controlled surface and structure for friction reduction and anti-inflammation, and develops a new concept of OA synergistic therapy model for practical applications.

Structural design of light-emitting fibers and fabrics for wearable and smart devices.

Flexible light-emitting fibers and fabrics serve to bridge human-machine interactions. The desire for practical applications and the commercialization of flexible light-emitting fibers has accelerated structural progress and improvements. This review focuses on the structural design of light-emitting fibers and fabrics, starting with a summary of design principles, emission mechanisms, and structural evolution of coaxial structured light-emitting fibers. Subsequently, we explore recent advances in the helical structure design strategies that boost the mechanical sensitivity of light-emitting fibers. Following that, we analyze continuous preparation processes and the development of large-area intelligent light-emitting fabrics based on interwoven structures. Examples based on stiff and rigid inorganic-based light-emitting diodes integrated into flexible systems are also presented. Finally, we discuss the current challenges and future opportunities for light-emitting applications in the field of wearable and smart devices.

Design of Coatings for Sulfur-Based Cathode Materials in Lithium-Sulfur Batteries: A review.

Lithium-sulfur batteries (LSBs) are considered next-generation energy storage and conversion solutions owing to their high theoretical specific capacity and the high abundance/low-cost of sulfur-based cathode materials. However, LSBs still encounter significant challenges, including the low conductivities of sulfur-based materials, severe volumetric expansion of sulfur during the discharge process, and the persistent "shuttle effect" of polysulfides. In recent years, a tremendous amount of research has been conducted to address the above challenges by developing coating and compositing materials and corresponding fabrication strategies for sulfur-based cathode materials. In this study, the surface coating, compositing materials, and fabrication methodologies of LSB cathodes are comprehensively reviewed in terms of advanced materials, structure/component characterization, functional mechanisms, and performance validation. Some technical challenges are analyzed in detail, and possible future research directions are proposed to overcome the challenges toward practical applications of lithium-sulfur batteries.

Enhanced contact performance of high-brightness micro-LEDs via ITO/Al anode stack and annealing process.

Micro-light-emitting diodes (Micro-LEDs) are a new type of display device based on the third-generation semiconductor gallium nitride (GaN) material which stands out for its high luminous efficiency, elevated brightness, short response times, and high reliability. The contact between anode layers and P-GaN is one of the keys to improving the performance of the devices. This study investigates the impact of electrode structure design and optimized annealing conditions on the anode contact performance of devices. The Micro-LED device with the size of 9.1 µm whose electrode structure is ITO/Ti/Al/Ni/Cr/Pt/Au (100/50/350/100/500/500/5000 Å) exhibits a significant improvement in contact performance after annealing under the Ar gas atmosphere at 500 °C for 5 min. The optimized device exhibited a current of 10.9 mA and a brightness of 298,628 cd/m2 under 5 V. The EQE peak value of Device A is 10.06% at 400 mA.

Symmetrical structure design of PLGA Biodegradable sinus stents and structure optimization based on surrogate models.

This study aims to enhance the degradation uniformity of PLGA sinus stents to minimize fracture risk caused by stress corrosion. Symmetric stent structures were introduced and compared to sinusoidal structure in terms of stress and degradation uniformity during implantation and degradation processes. Three surrogate models were employed to optimize the honeycomb-like structure. Results showed honeycomb-like structures exhibited the superior stress distribution and highest degradation uniformity. The kriging model achieved the smallest error and degradation uniformity of 83.24%. In conclusion, enhancing the symmetry of stent structures improves degradation uniformity, and the kriging model has potential for the optimization of stent structures.

A Systematic Optimization Method for Permanent Magnet Synchronous Motors Based on SMS-EMOA.

The efficient design of Permanent Magnet Synchronous Motors (PMSMs) is crucial for their operational performance. A key design parameter, cogging torque, is significantly influenced by various structural parameters of the motor, complicating the optimization of motor structures. This paper proposes an optimization method for PMSM structures based on heuristic optimization algorithms, named the Permanent Magnet Synchronous Motor Self-Optimization Lift Algorithm (PMSM-SLA). Initially, a dataset capturing the efficiency of motors under various structural parameter scenarios is created using finite element simulation methods. Building on this dataset, a batch optimization solution aimed at PMSM structure optimization was introduced to identify the set of structural parameters that maximize motor efficiency. The approach presented in this study enhances the efficiency of optimizing PMSM structures, overcoming the limitations of traditional trial-and-error methods and supporting the industrial application of PMSM structural design.

Accelerating the Development of LLZO in Solid-State Batteries Toward Commercialization: A Comprehensive Review.

Solid-state batteries (SSBs) are under development as high-priority technologies for safe and energy-dense next-generation electrochemical energy storage systems operating over a wide temperature range. Solid-state electrolytes (SSEs) exhibit high thermal stability and, in some cases, the ability to prevent dendrite growth through a physical barrier, and compatibility with the "holy grail" metallic lithium. These unique advantages of SSEs have spurred significant research interests during the last decade. Garnet-type SSEs, that is, Li7La3Zr2O12 (LLZO), are intensively investigated due to their high Li-ion conductivity and exceptional chemical and electrochemical stability against lithium metal anodes. However, poor interfacial contact with cathode materials, undesirable lithium plating along grain boundaries, and moisture-induced chemical degradation greatly hinder the practical implementation of LLZO-based SSEs for SSBs. In this review, the recent advances in synthesis methods, modification strategies, corresponding mechanisms, and applications of garnet-based SSEs in SSBs are critically summarized. Furthermore, a comprehensive evaluation of the challenges and development trends of LLZO-based electrolytes in practical applications is presented to accelerate their development for high-performance SSBs.

Mechanical Field Guiding Structure Design Strategy for Meta-Fiber Reinforced Hydrogel Composites by Deep Learning.

Fiber-reinforced hydrogel composites are widely employed in many engineering applications, such as drug release, and flexible electronics, with more flexible mechanical properties than pure hydrogel materials. Comparing to the hydrogel strengthened by continuous fiber, the meta-fiber reinforced hydrogel provides stronger individualized design ability of deformation patterns and tunable stiffness, especially for the elaborate applications in joint, cartilage, and organ. In this paper, a novel structure design strategy based on deep learning algorithm is proposed for hydrogel reinforced by meta-fiber to achieve targeted mechanical properties, such as stress and displacement fields. A solid mechanic model for meta-fiber reinforced hydrogel is first developed to construct the dataset of fiber distribution and the corresponding mechanical properties of the composite. Generative adversarial network (GAN) is then trained to characterize the relationship between stress or displacement field, and meta-fiber distribution. The well-trained GAN is implemented to design meta-fiber reinforced hydrogel composite structure under specific operation conditions. The results show that the deep learning method may efficiently predict the structure of the hydrogel composite with satisfied confidence, and has great potential for applications in drug delivery and flexible electronics.

Design, synthesis and antitumor activity of 2-substituted quinazoline-4-amine derivatives.

Werner (WRN) syndrome protein is a multifunctional enzyme with helicase, ATPase, and exonuclease activities that are necessary for numerous DNA-related transactions in the human cell. Recent studies identified WRN as a synthetic lethal target in cancers. In this study, a series of new N-arylquinazoline-4-amine analogs were designed and synthesized based on structure optimization of quinazoline. The structures of the thirty-two newly synthesized compounds were confirmed by 1H NMR, 13C NMR and ESI-MS. The anticancer activity in vitro against chronic myeloid leukemia cells (K562), non-small cell lung cancer cells (A549), human prostate cancer cells (PC3), and cervical cancer cells (HeLa) of the target compounds was evaluated. Among them, the inhibition ratio of compounds 17d, 18a, 18b, 11 and 23a against four cancer cells at 5 µM concentration were more than 50 %. The IC50 values of compounds 18a and 18b were 0.3 ± 0.01 µM and 0.05 ± 0.02 µM in K562 cells respectively, compared with HeLa and A549 cells, 18a and 18b were more sensitive to K562 cells. In addition, the PC3 cells with WRN overexpression (PC3-WRN) was constructed, 18a and 18b and 23a were more sensitive to PC3-WRN cells compared with the control group cells (PC3-NC). Then, the cell viability of the novel WRN inhibitors were further assessed by colony formation assay. Compared with PC3-NC cells, 18b and 23a had obvious inhibitory effect on PC3-WRN cell at 1000 nM. In summary, these results indicated that the compounds 18b and 23a could be WRN protein inhibitor with potent anticancer properties in vitro.

Facilitating Rapid Na+ Storage through MoWSe/C Heterostructure Construction and Synergistic Electrolyte Matching Strategy.

The realization of sodium-ion devices with high-power density and long-cycle capability is challenging due to the difficulties of carrier diffusion and electrode fragmentation in transition metal selenide anodes. Herein, a Mo/W-based metal-organic framework is constructed by a one-step method through rational selection, after which MoWSe/C heterostructures with large angles are synthesized by a facile selenization/carbonization strategy. Through physical characterization and theoretical calculations, the synthesized MoWSe/C electrode delivers obvious structural advantages and excellent electrochemical performance in an ethylene glycol dimethyl ether electrolyte. Furthermore, the electrochemical vehicle mechanism of ions in the electrolyte is systematically revealed through comparative analyses. Resultantly, ether-based electrolytes advantageously construct stable solid electrolyte interfaces and avoid electrolyte decomposition. Based on the above benefits, the Na half-cell assembled with MoWSe/C electrodes demonstrated excellent rate capability and a high specific capacity of 347.3 mA h g-1 even after cycling 2000 cycles at 10 A g-1. Meanwhile, the constructed sodium-ion capacitor maintains ∼80% capacity retention after 11,000 ultralong cycles at a high-power density of 3800 W kg-1. The findings can broaden the mechanistic understanding of conversion anodes in different electrolytes and provide a reference for the structural design of anodes with high capacity, fast kinetics, and long-cycle stability.

Stretchable, Flexible, Breathable, Self-Adhesive Epidermal Hand sEMG Sensor System.

Hand function rehabilitation training typically requires monitoring the activation status of muscles directly related to hand function. However, due to factors such as the small surface area for hand-back electrode placement and significant skin deformation, the continuous real-time monitoring of high-quality surface electromyographic (sEMG) signals on the hand-back skin still poses significant challenges. We report a stretchable, flexible, breathable, and self-adhesive epidermal sEMG sensor system. The optimized serpentine structure exhibits a sufficient stretchability and filling ratio, enabling the high-quality monitoring of signals. The carving design minimizes the distribution of connecting wires, providing more space for electrode reservation. The low-cost fabrication design, combined with the cauterization design, facilitates large-scale production. Integrated with customized wireless data acquisition hardware, it demonstrates the real-time multi-channel sEMG monitoring capability for muscle activation during hand function rehabilitation actions. The sensor provides a new tool for monitoring hand function rehabilitation treatments, assessing rehabilitation outcomes, and researching areas such as prosthetic control.

A novel multi-hybrid differential evolution algorithm for optimization of frame structures.

Differential evolution (DE) is a robust optimizer designed for solving complex domain research problems in the computational intelligence community. In the present work, a multi-hybrid DE (MHDE) is proposed for improving the overall working capability of the algorithm without compromising the solution quality. Adaptive parameters, enhanced mutation, enhanced crossover, reducing population, iterative division and Gaussian random sampling are some of the major characteristics of the proposed MHDE algorithm. Firstly, an iterative division for improved exploration and exploitation is used, then an adaptive proportional population size reduction mechanism is followed for reducing the computational complexity. It also incorporated Weibull distribution and Gaussian random sampling to mitigate premature convergence. The proposed framework is validated by using IEEE CEC benchmark suites (CEC 2005, CEC 2014 and CEC 2017). The algorithm is applied to four engineering design problems and for the weight minimization of three frame design problems. Experimental results are analysed and compared with recent hybrid algorithms such as laplacian biogeography based optimization, adaptive differential evolution with archive (JADE), success history based DE, self adaptive DE, LSHADE, MVMO, fractional-order calculus-based flower pollination algorithm, sine cosine crow search algorithm and others. Statistically, the Friedman and Wilcoxon rank sum tests prove that the proposed algorithm fares better than others.

Discovery of A Novel Series of Quinazoline-Thiazole Hybrids as Potential Antiproliferative and Anti-Angiogenic Agents.

Considering the pivotal role of angiogenesis in solid tumor progression, we developed a novel series of quinazoline-thiazole hybrids (SA01-SA07) as antiproliferative and anti-angiogenic agents. Four out of the seven compounds displayed superior antiproliferative activity (IC50 =1.83-4.24 µM) on HepG2 cells compared to sorafenib (IC50 = 6.28 µM). The affinity towards the VEGFR2 kinase domain was assessed through in silico prediction by molecular docking, molecular dynamics studies, and MM-PBSA. The series displayed a high degree of similarity to sorafenib regarding the binding pose within the active site of VEGFR2, with a different orientation of the 4-substituted-thiazole moieties in the allosteric pocket. Molecular dynamics and MM-PBSA evaluations identified SA05 as the hybrid forming the most stable complex with VEGFR2 compared to sorafenib. The impact of the compounds on vascular cell proliferation was assessed on EA.hy926 cells. Six compounds (SA01-SA05, SA07) displayed superior anti-proliferative activity (IC50 = 0.79-5.85 µM) compared to sorafenib (IC50 = 6.62 µM). The toxicity was evaluated on BJ cells. Further studies of the anti-angiogenic effect of the most promising compounds, SA04 and SA05, through the assessment of impact on EA.hy296 motility using a wound healing assay and in ovo potential in a CAM assay compared to sorafenib, led to the confirmation of the anti-angiogenic potential.