Browse Articles

Molecular Design‐Driven Interface Engineering Enabling Simultaneous Defect Passivation and Enhanced Hole Extraction in Perovskite Solar Cells

Abstract Interface engineering has emerged as an effective strategy to address interface defects and energy level misalignment between the perovskite and hole transport layer (HTL). Herein, three novel multifunctional hole interface molecules with distinct substituents were designed to passivate defects at the perovskite/HTL interface. These molecules integrate hole‐transporting groups with passivating units, enabling effective defect passivation, improved energy level alignment, and facilitating efficient carrier extraction. Among the three hole transport interface molecules (HTIMs), the 3‐(3,6‐bis(4‐(bis(4‐(methylthio)phenyl)amino)phenyl)‐9H‐carbazol‐9‐yl)hexan‐1‐amine hydroiodide (MeS‐TPA‐Cbz‐HAI), comprising ‐MeS and HAI units, exhibited superior interface passivation capability and greater chemical compatibility with 2,2′,7,7′‐Tetrakis (N,N‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene (Spiro‐OMeTAD), leading to a reduction in defect density and enhanced hole transport. Consequently, the device based on MeS‐TPA‐Cbz‐HAI achieved a notable power conversion efficiency (PCE) of 25.83%. Moreover, the unencapsulated device maintained 94% of its initial efficiency after 1000 hours of continuous operation under ambient conditions (30%–65% relative humidity), demonstrating remarkable long‐term stability. This design strategy for hole interface molecules presents a promising avenue for achieving both high efficiency and operational stability in perovskite solar cells.

Decarbonizing ammonia synthesis plants through retrofitting novel reformer technology

Abstract Decarbonizing ammonia production is crucial for reducing industrial greenhouse gas emissions; however, steam methane reforming (SMR) remains the dominant, carbon-intensive pathway. This study proposes a retrofit strategy for large-scale ammonia plants (1,268 tons/day) by replacing the conventional reformer with an advanced dual-reactor system that enables CO₂ utilization and carbon valorization. The novel configuration co-produces synthesis gas and multi-walled carbon nanotubes (MWCNTs), integrating ammonia and CNT production in a single process. Aspen Plus simulations compare the baseline SMR process with the retrofitted configuration, assessing energy demand, feedstock consumption, CO 2 emissions, and economic performance. The retrofitted system achieves a 76% reduction in plant-level (Scops 1–1) CO₂-equivalent emissions and an 18.2% decrease in total specific energy (with a 31.5% reduction in thermal/steam duties), despite a 2.6-fold increase in methane input. At 25% MWCNT recovery, the Levelized Cost of Ammonia (LCOA) increases to $736.3/ton (vs. $308.3/ton for SMR); however, substantial co-product revenue yields a 3.7-fold increase in Net Present Value (NPV), 52% Internal Rate of Return (IRR), and a 4.5-year payback period. Sensitivity analyses support the robustness of the economic potential, confirming the viability of integrated CNT-ammonia production as a pathway for sustainable, low-carbon manufacturing.

STICformer: spatio-temporal intrinsic connections transformer for traffic flow prediction

Catalytic Nano‐Reactor Engineering of Metal Single‐Atom Site and Metal‐Free Chemical Group for Accelerating Sulfur Redox Electrocatalysis

Abstract Precisely constructing atomic engineering of catalytic site and thus accelerating sulfur redox kinetics are meaningful but challenging for energy storage and conversion. Herein, the catalytic nano‐reactor engineering containing Fe‐N 4 catalytic site and the adjacent PO chemical group as synergistic catalytic site (Fe‐N 4 /CNPO) was first designed for Li‐S batteries with remarkably improved performance. The adjacent PO chemical group of Fe‐N 4 site in catalytic nano‐reactor simultaneously strengthened the adsorption of lithium polysulfides and facilitated the fracture of Li─S bonds by Li─O interaction, thus lowering the free energy change of potential‐determining step and accelerating sulfur redox kinetics, which was further verified via density functional theory calculation. The optimized Fe‐N 4 /CNPO modified separator exhibited much higher battery capacity of 1322.1 mAh g −1 at 0.2 C and enhanced long‐term stability (low capacity decay of 0.08% per cycle over 500 cycles at 1.0 C). This work demonstrated the enormous potentiality of catalytic nano‐reactor engineering containing metal single‐atom catalytic site and chemical group as synergistic catalytic site for accelerating sulfur redox in metal‐sulfur batteries.

Response surface optimization of abiotic elicitors for betalain production and antioxidant capacity in Celosia argentea cell suspension cultures

Abstract Betalains are natural pigments with diverse biological properties found in Celosia argentea var. plumosa , a member of the Amaranthaceae family. This study established an optimized cell suspension culture system for enhanced betalain production from C. argentea var. plumosa through combined elicitor treatment. Three elicitors were evaluated: 6-benzylaminopurine (BAP), methyl jasmonate (MeJA), and copper sulfate (CuSO 4 ), using response surface methodology (RSM) based on central composite design (CCD). Under standard conditions, maximum total betalain content (TBC) and dry weight reached 35.61 mg/L (1.95 mg/g DW) and 19.90 g/L, respectively, on day 15. The optimal formulation consisted of 2.28 µM BAP, 49.97 µM MeJA, and 6.71 µM CuSO₄, applied during the exponential growth phase on day 9. These optimized conditions achieved a 3.9-fold increase in betalain production on day 15, reaching a maximum TBC of 139.99 mg/L (7.54 mg/g DW) with biomass of 16.90 g/L. Additionally, betalain extracts from cells cultured under optimal conditions demonstrated higher antioxidant capacity than unoptimized culture extracts. These findings suggest that using statistical experimental design with combined elicitors provides an optimized platform for scalable betalain production with enhanced bioactive properties. This information will be valuable for food, pharmaceutical, and cosmetic industries requiring natural colorants with functional benefits.

Rising burden of myopia among South Korean young adults based on 13-year trends, associated factors, and projections to 2050

Built‐in Axial Electric Field‐Driven Electron‐Rich Monomolecular Co Sites for Promoting CO ₂ Electroreduction to CO Over Ultrawide Potential Window

Abstract Using renewable electricity to convert CO 2 into CO offers a sustainable route to producing a versatile intermediate to synthesize various chemicals and fuels. However, the conversion at scale is largely constrained owing to the lack of potential‐universal feasibility. Here, we developed an electrocatalyst featuring CoPc anchored ZnO with rich oxygen vacancies (CoPc@ZnO v ), thus improving the activity and selectivity of CO 2 ‐to‐CO conversion. Notably, the FEco of CoPc@ZnO v remains above 90% over an ultrawide potential window of 1.3 V (−0.7 to −2.0 V versus RHE) in H‐type cell, 1.40 V (−0.4 to −1.8 V versus RHE) in flow cell and 1.0 V (low cell voltages of 2.0–3.0 V) in the MEA device, surpassing those of previously reported molecular CoPc‐based electrocatalysts and even most single metal site materials. Density functional theory calculations combined with in‐situ spectroscopies reveal that the built‐in axial electric field arising from the p–n junction rectification effect could drive electron‐rich single Co‐N 4 sites with asymmetric charge distribution and geometric curvature, which promotes *COOH formation (i.e., strong CO 2 adsorption, rapid H 2 O dissociation and proton supply), *CO desorption and as well suppresses the hydrogen evolution reaction, thus favoring the production of CO via CO 2 RR over ultrawide potential windows. This work presents a novel catalyst design strategy of asymmetrical monomolecular Co‐N 4 sites based on the built‐in axial electric field theory, as well as a new way to tune the out‐of‐plane polarization for improved catalytic performance.

Optimization of supercritical fluid processes for aripiprazole nanoparticle production using GAS-antisolvent technique and Box-Behnken design

Decoding the mechanophysiology for inhaled onset of smallpox with model-based implications for mpox spread

Synergistic Cu-Sb oxide electrocatalyst synthesized by sol-gel method for high-efficiency nitrate reduction to ammonia with suppressed hydrogen evolution

Dual-function ethoxylated cationic surfactant for pipeline corrosion and sulfate-reducing bacteria control: electrochemical and theoretical studies

Abstract Effective corrosion inhibitors are essential for preventing metal degradation. In this study, a novel polyoxyethylene-based cationic surfactant (ECS) was synthesized and its structure was confirmed using various spectroscopic techniques, including FTIR and ¹H NMR. The ECS exhibits both surface-active and antibacterial properties due to the presence of quaternary ammonium, polyoxyethylene, and alkyl chain moieties, which facilitate its adsorption onto bacterial membranes and carbon steel (C-steel) surfaces. Potentiodynamic polarization (PDP) results indicated that ECS effectively suppresses both the anodic and cathodic reactions of C-steel via blocking effect. Corrosion current density (i corr ) of C-steel dropped to 48.7µA/cm 2 in presence of 175 ppm ECS. Electrochemical impedance spectroscopy (EIS) revealed that corrosion proceeded via a charge transfer-controlled mechanism. 175 ppm of ECS increased the charge transfer resistance (R ct ) of C-steel to 497.81 Ω·cm 2 , compared to 38.6 Ω·cm 2 for the blank confirming its effective adsorption. Langmuir adsorption isotherm analysis suggested that ECS is physically adsorbed on the C-steel surface, with a calculated free energy of adsorption (ΔG ads ) of − 27.314 kJ/mol. Furthermore, the activation energy (E a ) increased from 25.76 to 41.49 kJ/mol in the presence of ECS, indicating the formation of an energy barrier that inhibits the C-steel dissolution process. The ECS achieved a 92% reduction in C-steel degradation. Surface characterization techniques, including scanning electron microscopy (SEM), water contact angle (WCA) measurements, and X-ray photoelectron spectroscopy (XPS), confirmed the formation of a protective ECS layer that effectively shielded the carbon steel from the aggressive attack of the HCl solution. Theoretical studies, including density functional theory (DFT) and Monte Carlo (MC) simulations, were utilized to investigate the adsorption mode of ECS molecules on the C-steel surface and to elucidate how the molecular structure influenced inhibition efficiency.

Investigating urea is an ideal additive to the Accu-OptiClearing delipidation cocktail

Abstract The brain is a complicated tissue with high lipid content. Different tissue clearing methods have been used to study its complex structures and functions. However, the balance between myelin preservation and clearing efficiency remains an obstacle in brain tissue clearing. In the previous study, Accu-OptiClearing has been developed to overcome this challenge by combining detergent and RI matching solution in the delipidation solution. This successfully preserves brain tissue structure and lipid content, but the clearing efficiency can be further improved. Here, we investigated the effects of adding urea as a non-detergent permeabilizing agent to the delipidation solution of Accu-OptiClearing by measuring the clearing efficiency, protein loss, tissue size change and myelin preservation. Different concentrations of urea (2 M, 4 M, 6 M and 8 M) were added to the 10% HxD-OPTIClear solution for comparison. From the results, we found that the 2 M urea additive can achieve sufficient improvement in clearing efficiency with unchanged tissue preservation and probe compatibility. These findings demonstrate that the addition of non-detergent urea could potentially modify the Accu-OptiClearing delipidation solution. Hence, it opens room for screening other non-detergent chemicals in optimizing the Accu-OptiClearing delipidation cocktail for future neuroscience studies.

Visualizing intracellular milieu and electric field-induced cell responses by fluorescence lifetime imaging microscopy

Biofilm and planktonic lifestyles modulate lipid A structure and inflammatory response in Pseudomonas aeruginosa from people with cystic fibrosis

Sustainable bio-based PET hybrid composites reinforced with organic waste and basalt fibres with antibacterial addition

A novel, non-spirometric “BMP index” for predicting severe adverse outcomes in fibrosing interstitial lung diseases

Abstract Fibrosing interstitial lung diseases (fILDs) exhibit diverse clinical courses and prognoses, with no established biomarkers for predicting acute exacerbation (AE) and early death. This study introduces a novel composite “BMP index”, integrating body mass index (BMI), mucin-1, and pentraxin 3 (PTX3) to assess AE and early death risk in fILDs. Between January, 2017, and May, 2025, we enrolled 366 patients with fILDs diagnosed, managed and followed at three hospitals in southern Taiwan. Using stratified randomization with a ratio 3:2, participants were assigned to derivation (218 patients) and validation (148 patients) cohorts. Baseline circulating mucin-1 and PTX3 levels were measured via enzyme-linked immunosorbent assay. One point was assigned for each of the three components of the BMP index: BMI < 24 kg/m 2 , mucin-1 ≥ 2.5 ng/mL, and PTX3 ≥ 2.2 ng/mL, yielding a total score from 0 to 3. The BMP index consistently stratified risk across the derivation, validation, and combined whole cohorts, with higher scores indicating increased AE and early death risks. Sensitivity analyses and comparative performance assessments confirming its robustness and superior predictive performance compared to multiple recently reported predictors. Our findings support the BMP index as a non-spirometric, noninvasive, radiation-free tool for early clinical risk stratification in fILDs.

Design of isolated lithographic SERS structures with enhanced sensitivity

Detection of diabetic retinopathy using multicolor image by multimodal network incorporating information bottleneck (MNIIB)

Integrated energy optimization and emulation attack mitigation technique for CRSN under Rayleigh fading channel

Abstract Cognitive Radio Sensor Networks (CRSNs) are envisioned to overcome spectrum scarcity by enabling opportunistic spectrum access. However, their performance is severely degraded by Primary User Emulation Attacks (PUEAs), inefficient routing, and unfair channel allocation. In this paper, we present an Energy and PUEA-Aware Algorithm for Rayleigh Fading Channels (EPA-RF) that integrates PUEA mitigation, energy efficiency, and fairness in CRSN operating over Rayleigh flat fading channels. A PUEA mechanism is introduced, in which a malicious user intelligently senses the spectrum environment and transmits signals that imitate genuine primary users to deceive secondary users and optimize spectrum utilization. The Moth Flame Optimization (MFO) based channel allocation scheme is employed to maximize throughput while ensuring fairness among secondary users. Further, to improve network longevity, the algorithm optimally adjusts cluster radius and supports multi-hop forwarding with minimized control overhead. Simulation results verify that the proposed integrated framework significantly enhances throughput, prolongs network lifetime, and mitigates the adverse effects of PUEA compared to existing approaches.

Quantitative analysis of sediment source contributions to the different deposits in the Taklamakan Desert, western China, determined using discriminant function analysis