Physical fitness levels among Chinese college students have declined in recent years, representing a growing public health concern. High-intensity interval training (HIIT) is a time-efficient exercise modality with well-documented physiological benefits; however, validated HIIT training modules specifically tailored for Chinese college students remain limited. This study aimed to develop and establish the content validity of a bodyweight-based HIIT training module tailored for Chinese college students. This methodological study employed a modified Delphi technique. HIIT movements were identified through a systematic literature review of studies published between 2014 and 2025. In the first round, 10 college physical education teachers screened the identified movements for feasibility and practicality. In the second round, nine experts evaluated the retained movements using Lawshe's method to determine the Content Validity Ratio (CVR) and a four-point Likert scale to assess the Content Validity Index (CVI). Movements meeting the predefined validity thresholds were retained. Twenty eligible studies were included, from which 48 HIIT movements were extracted. Following expert screening, 36 movements were excluded. Of the remaining 12 movements, eight (High Knees, Jumping Lunges, Jumping Jacks, Bodyweight Squats, Burpees, Butt Kicks, Mountain Climbers, and Push-ups) met the predefined criteria and were retained. All retained movements demonstrated acceptable item-level validity (I-CVI ≥ 0.78), and the overall scale-level validity was excellent (S-CVI = 0.976), indicating strong expert agreement. This study developed a bodyweight-based HIIT training module with excellent content validity for Chinese college students. The content-validated module provides a structured and accessible framework for exercise implementation and may serve as a foundation for future intervention studies to evaluate its effectiveness in improving physical fitness and related health outcomes.
Mental health is increasingly recognized as a critical determinant of both individual well-being and organizational productivity. However, existing assessment tools in Latin American workplace contexts often lack an integrated approach that captures both psychological distress and positive functioning. This study describes the development and initial psychometric evaluation of the Latin American Mental Health Scale (LA-MHS), a 30-item multidimensional instrument assessing Anxiety, Stress, Subjective Well-being, and Sleep Problems in working adults. A non-probabilistic sample of 308 workers from multiple Latin American countries completed the scale online. The internal structure was evaluated through theory-driven and data-driven phases, consistent with recommended practices for scale validation. In the theory-driven phase, confirmatory factor analysis (CFA; WLSMV estimator) supported a four-factor correlated structure with acceptable fit, χ2 (395) = 1025.76, p < 0.001, CFI = 0.933, TLI = 0.926, RMSEA = 0.072, SRMR = 0.062. Internal consistency was excellent for Anxiety and Stress (α = 0.91, ω = 0.93 for both), acceptable for Well-being (α = 0.74, ω = 0.84), and below recommended thresholds for Sleep Problems (α = 0.68, ω = 0.69). A preliminary brief version (LA-MHS-12) was derived, showing acceptable fit in the same sample, although results should be interpreted cautiously due to potential overfitting. In the data-driven phase, exploratory factor analysis (EFA) in a training subsample identified a three-factor structure (Anxiety, Stress including sleep problems, and Well-being), which was subsequently supported in an independent testing subsample (CFA: CFI = 0.927, TLI = 0.920, RMSEA = 0.083, SRMR = 0.078). Reliability estimates were excellent for Anxiety (α = 0.91, ω = 0.93) and Stress including sleep problems (α = 0.91, ω = 0.93) and good for Well-being (α = 0.80, ω = 0.81). Competing models (higher-order and bifactor) were also examined but did not provide clear advantages in terms of interpretability. Overall, the LA-MHS demonstrates promising initial psychometric properties, particularly for anxiety and stress. However, further refinement of the well-being and sleep dimensions and additional validation in independent samples are required.
Exhaled breath analysis, situated at the intersection of nanomaterial science, analytical chemistry, and clinical diagnostics, is a transformative noninvasive diagnostic technology. However, the ultratrace concentration (ppb-ppm scale) and complex matrix of biomarkers such as nitrogen oxides (NOx) in exhaled breath impose stringent challenges for detection technologies. In this work, we successfully synthesized In2O3-N nanorods with well-defined O-In-N asymmetric active sites via a hydrothermal method and subsequent calcination. The effects of nitrogen doping concentration on the microstructure and gas-sensing properties were systematically investigated, and the optimal doping content was determined. At 80 °C, the In2O3-N sensor exhibits excellent sensing performance toward nitrogen dioxide. Its response reaches 4.5-2 ppm of NO2, approximately 2.2 times that of pristine In2O3. Additionally, it displays excellent selectivity toward NOx (negligible response to non-NOx interfering gases) and good stability (response fluctuation <5% in five cycles). Considering the high humidity in practical detection environments, we further evaluated its humidity resistance. The sensor operates stably over a wide humidity range and possesses strong capability against humidity interference. DFT calculations reveal that the enhanced performances result from two key factors. One is that nitrogen treatment increases the concentration of oxygen vacancies, thereby providing abundant adsorption sites. The other is that in the O-In-N asymmetric sites, electrons transfer from the N atom to the In atom, strengthening the orbital interactions between the In atom in In2O3-N and the N atom in NO2. The In2O3-N-based sensors were further integrated into a portable device for noninvasive pneumonia detection. Clinical tests on 40 exhaled breath samples show that the sensor can effectively distinguish between the two groups of people, with 100% accuracy for pneumonia patients and 80% accuracy for healthy individuals, which is further verified by 3D principal component analysis (PCA) with good separation of sample points. This work not only provides a generalizable strategy for designing high-performance gas sensors via asymmetric active site engineering but also highlights the great potential of In2O3-N sensors in clinical noninvasive diagnosis bridging the gap between nanomaterial design and translational breath analysis.
Peroxynitrite (ONOO-) plays a dual role in plant stress responses and environmental redox processes. However, its real-time, in situ detection remains challenging. Here, we report a novel ratiometric fluorescent probe based on a carbazole-quinolinium scaffold. Owing to the intramolecular charge transfer (ICT) effect, this probe displays intense red fluorescence (λem = 645 nm). Upon reaction with ONOO-, the conjugated double bond undergoes oxidative cleavage, leading to disruption of the π-conjugated system and consequent attenuation of the ICT effect. As a result, the red emission is substantially quenched, while pronounced blue fluorescence emerges (λem = 460 nm). This distinct fluorescence shift enables the probe to serve as a robust ratiometric platform for the convenient and quantitative detection of ONOO-. It exhibits a low detection limit of 0.039 µM, excellent selectivity over various interfering species and functions effectively across a broad pH range. Crucially, the probe successfully demonstrates practical applications in detecting ONOO- spiked into environmental water and soil samples, fabricating portable test strips for convenient on-site analysis, and achieving in situ imaging in plant tissues, effectively circumventing the issue of blue autofluorescence. This work provides a versatile and reliable tool for monitoring ONOO- dynamics in both environmental and plant systems.
Recent ultrasonography findings suggest that temporal and midfacial layers are anatomically and functionally connected. Understanding this continuity is important for safe and effective surgical and minimally invasive procedures. This study aimed to identify and characterize the continuity of deep fatty and fascial layers between the temples and midface in treatment-naïve adults. A single-center, cross-sectional observational study was conducted in 40 healthy volunteers using standardized bilateral facial ultrasonography with a 20-MHz linear probe. Four vertical and two oblique transducer positions were used to assess continuity between the temporal and midfacial regions. Ultrasound imaging provided excellent visualization of the investigated fascial and fatty layers. Fat located between the deep fascial layers of the temple and within the intermediate temporal fat pad transitioned from a multilaminar configuration to a unilaminar pattern as it crosses the zygoma, extending to a continuous multilaminar arrangement in the lateral and medial midface. Dense fascial boundaries in the preauricular region limited lateral extension, while anterior boundaries were formed by the zygomaticus major and minor muscles and associated ligaments. Results were confirmed by a second ultrasound examiner, 3 body donors and histology. Continuous anatomical pathways connect the deep temporal and deep midfacial fatty and fascial layers. These findings non-invasively confirm previous clinical observations and help explain filler spread following midfacial and temporal interventions.
The clinical application of conventional chemotherapy is significantly limited by severe toxic side effects, creating an urgent demand for the development of high-performance nanomedicines that can enhance therapeutic efficacy while minimizing adverse reactions. Herein, we develop artemisinin-loaded urchin-shaped copper nanospheres (ART@HCuMSN) for synergistic induction of apoptosis and cuproptosis via oxidative stress amplification in cancer therapy. ART@HCuMSN exhibit tumor microenvironment-activated catalytic activity, wherein released Cu2+ catalyzes the conversion of exogenous artemisinin (ART) and endogenous hydrogen peroxide (H2O2) into carbon-centered radicals (·C) and hydroxyl radicals (·OH), and depletes intracellular glutathione (GSH), thereby exacerbating oxidative stress in tumor cells and inducing apoptosis. Furthermore, the enhanced oxidative stress heightens the susceptibility of cancer cells to copper, triggering pronounced proteotoxic stress, which subsequently activates the cellular cuproptosis pathway. Evidence from both in vitro and in vivo studies provides compelling support for the potent antitumor efficacy and excellent biosafety of these sea urchin-shaped copper nanospheres. This study establishes a crucial foundation for developing in situ apoptosis/cuproptosis synergistic therapeutic strategies based on copper-based nanospheres.
Trimethylsilyl ethers of monoprotected isosorbide derivatives have been subjected to multicomponent Hosomi-Sakurai reactions with allyl trimethylsilane and various aldehydes (aromatic or aliphatic) under the catalysis of trimethylsilyl triflate. This study has allowed for establishing that: (a) the best results are obtained in reactions involving TMS ethers of the endo-OH group; (b) the most suited protecting group is the tert-butyldiphenylsilyl ether. With this ideal substrate, a scope was studied using both aromatic and aliphatic aldehydes. Good yields and excellent diastereoselectivities were typically achieved with aromatic aldehydes, unless they were very encumbered at the ortho position or strongly electron-poor. With simple aliphatic enolizable aldehydes, it may be useful to use an excess of aldehydes because of self-condensation processes. These results open the way to conjugates of bio-based isosorbide with aldehyde-derived fragments, joined through a very stable ether group.
Hydrogel polymer electrolytes (HGEs) are attracting significant attention due to their potential in the development of flexible and safe supercapacitors (SCs). However, the development of flexible supercapacitors based on HGE still faces numerous challenges, including issues such as interfacial delamination between the HGE/electrode under extreme deformations, and drastic performance deterioration at low temperatures. Herein, a tough adhesive polyacrylamide/H3PO4 (PAM/H3PO4) HGE was facilely prepared, exhibiting excellent flexibility, adhesion, ionic conductivity, and freeze resistance, which ensured close contact between the HGE and the polyaniline (PANI)-modified carbon cloth (C/PANI) electrode, thereby achieving a sandwich-type flexible supercapacitor with extremely low interface connection resistance and ultradurable electrochemistry under extreme deformations and subzero temperatures. Specifically, the interfacial adhesion energy between the HGE/electrode could reach up to 364 J/m2 at 25 °C and maintain 269 J/m2 even after exposure to -40 °C. The SC exhibited the capacitance retention rates of 98.42% and 96.78% after bending and twisting at 180° for 100,000 cycles, respectively. More impressively, the SC retains the capacitance value of 94.88% after 5000 cycles of 180° bending at -40 °C. This study proposed a simple and potentially commercialized HGE without any complex synthesis for constructing a highly flexible SC with excellent electrochemical stability under extreme mechanical and environmental conditions, while emphasizing the critical role of the HGE/electrode interface in enhancing the SC's durability.
The MTXPK.org webtool facilitates model-informed supportive care and glucarpidase use in patients receiving high-dose methotrexate, but its reliance on manual data entry limits workflow integration. We aimed to highlight how translational informatics can advance, automate, and enhance the usability of clinical decision support tools by embedding MTXPK.org within the electronic health record (EHR). A human factors study with 6 clinical providers guided iterative prototype development. MTXPK.org was rebuilt within the EHR using a 3-tier architecture with Fast Healthcare Interoperability Resources-based data retrieval, automated pharmacokinetic modeling, and interactive visualization. Two rounds of prototyping with task-based evaluations and contextual inquiry showed progressive improvements in information recognition and navigation. The final design achieved excellent usability, with a System Usability Scale score of 90.4 compared to 57 for the original MTXPK.org tool. The dashboard is now live, automating data entry and generating individualized pharmacokinetic profiles with interactive visualization. The Methotrexate Monitoring Tool is an integrated methotrexate dashboard that automates data entry, improves usability, and facilitates model-informed supportive care and glucarpidase use.
Lithium is the gold-standard treatment for bipolar disorder, yet its use is often restricted by the logistical burden of regular venous blood sampling and laboratory monitoring. Point-of-care testing (POCT) offers a potential alternative, but evidence regarding acceptability and analytical performance is limited. To evaluate patient and clinician attitudes towards POCT for lithium monitoring and analytically validate a novel POCT device (Medimate Multireader) against a reference laboratory method. We combined patient and clinician surveys on attitudes towards lithium treatment and monitoring with an analytical evaluation of the Medimate Multireader, a novel POCT device. Survey data explored perceived barriers to lithium use and preferences for monitoring methods. Analytical validation assessed accuracy, bias, agreement and reproducibility compared with a reference laboratory method. Most patients and clinicians preferred POCT to conventional venous sampling. Many patients described venous monitoring as inconvenient and disruptive and indicated that they would be more willing to take lithium if home-based POCT were available. Clinicians identified the frequency and logistical demands of venous blood testing as the principal barrier to prescribing lithium. The Medimate Multireader demonstrated excellent analytical agreement with the reference method, with a correlation coefficient of 0.96 and mean bias and limits of agreement within the predefined ±0.2 mmol/L performance specification. The potential of the device for patient-operated home-based testing was viewed favourably by survey respondents. POCT for lithium provides a feasible and analytically robust alternative to venous blood monitoring. By reducing the logistical burden of regular venous sampling, a key barrier to lithium use, POCT aligns with National Health Service priorities for digitally enabled community-based care and may support improved access, safety and adherence.
The synthetic strategy relies on the highly diastereoselective alkylation at the C4 position of L-pyroglutamic acid derivatives, followed by a decarboxylation-allylation process that enables the incorporation of diverse substituents, including aromatic substituents, affording trans-3,5-disubstituted γ-lactams with excellent diastereiosmeric ratio (dr > 98:2). The resulting γ-lactams were efficiently transformed into a series of α,γ-disubstituted γ-amino acids through hydrogenation and acidic hydrolysis. Furthermore, cross-metathesis reactions with styrene and 1-decene enabled the introduction of structurally diverse lipophilic side chains, furnishing the corresponding γ-amino acids in good overall yields (71-77%) and high diastereoisomeric ratio from >98:2 to 92:8. In addition, N-allylation followed by ring-closing metathesis and hydrogenation provided access to a previously unexplored conformationally constrained γ-amino acid. Overall, seven α,γ-disubstituted γ-amino acids, including fluorinated and conformationally restricted derivatives, were synthesized from common intermediates with high stereocontrol. The developed methodology offers a versatile platform for the preparation of structurally diverse and underexplored γ-amino acid building blocks of potential interest in peptide synthesis, medicinal chemistry, and antimicrobial agent development.
The occurrence of pesticide residues in pome fruits and their implications for consumer health remain critical concerns in food safety. In this study, 222 pesticide residues were analysed in 155 samples of apples, pears, and quinces collected from Türkiye between October 2025 and March 2026 using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Residues were detected in 76.4% of apples, 86% of pears, and 30% of quinces, with frequent multi-residue patterns and notable occurrences of non-approved compounds. Pear samples exhibited the highest contamination levels, with maximum residue level (MRL) exceedance rates reaching 30%, compared to 14.5% in apples and 2% in quinces. Quality assessment based on the index of quality for residues (IqR) indicated that 96% of quince samples were classified as excellent or good, demonstrating the most favourable profile among the evaluated commodities. Risk ranking analysis further indicated that acetamiprid was the only high-risk pesticide in apples, whereas residues in pears were predominantly medium risk, and all detected compounds in quinces fell within the low-risk category. Deterministic risk assessment indicated that chronic exposure remained well below levels of concern for both adults and children. Under combined pome fruit consumption, acetamiprid and spirodiclofen were identified as the main contributors to chronic hazard index (HIc), accounting for 33% and 13% of HIc, respectively. However, acute exposure exceeded the safety threshold (HQa > 1) in children for acetamiprid in both apples and pears. Probabilistic modelling confirmed right-skewed exposure distributions and highlighted increased risk under cumulative consumption scenarios.
A "skeleton-first, oxidation-late" two-step route is reported to synthesize a fused N-oxide (2), featuring a one-pot functionalization strategy introducing nitro and N-oxide moieties. Compound 2 exhibits an exceptionally high density (1.98 g cm-3), excellent detonation velocity (9023 m s-1), and low sensitivities (IS = 30 J, FS > 360 N).
The development of portable, cost-effective, and user-friendly analytical tools for one-site detection of ciprofloxacin (CIP) in complex matrices remains a significant challenge. Herein, we report a novel smartphone-assisted dual-mode colorimetric sensing platform based on an aluminum(III)-alizarin red S (Al(III)-(ARS)2) chemosensing ensemble for the rapid and sensitive determination of CIP in aqueous media. The sensing strategy exploits the strong chelating ability of CIP toward Al(III) via its carboxylate and carbonyl groups, driving the formation of a ternary CIP-Al(III)-(ARS)2 complex accompanied by a distinct color change from orange to pink. This color change is quantitatively monitored using both UV-Vis spectrophotometry and smartphone-based RGB image analysis, enabling complementary dual-mode detection. The proposed platform exhibits excellent analytical performance with linear ranges of 0.34-13.6 µM (UV-Vis) and 0.075-12 µM (smartphone-based analysis) and low limits of detection of 70 nM and 48 nM, respectively. Notably, the smartphone-assisted approach minimizes user subjectivity, enhances signal reproducibility, and enables rapid analysis within minutes. The method was successfully applied to real samples, including pharmaceutical formulations, environmental water, and human urine, achieving satisfactory recoveries (95.20-119.04%) and good precision (RSD: 1.02-6.09%). The sensing mechanism was validated by UV-visible and FT-IR spectroscopic analyses and further supported by DFT calculations.
Halide solid-state electrolytes (HSSEs) combine high ionic conductivity with wide electrochemical stability windows, making them promising candidates for all-solid-state lithium batteries (ASSLBs). However, their poor humid-air stability demands ultra-dry processing environments, severely limiting industrial scalability. Here, we report a water-assisted synthesis strategy to construct a zirconium-based core-shell structured HSSE, Li2Zr1.5OCl6@Li2CO3 (LZOC-H), under industrially viable dry-room conditions (dew point <-40 °C). By exploiting trace ambient H2O and CO2 during synthesis, a self-derived Li2CO3-rich layer is formed in situ, significantly enhancing air stability. The resulting LZOC-H electrolyte achieves a relatively high room-temperature ionic conductivity of 1.12 mS cm-1 and excellent moisture resistance. Full cell (Ni89|LZOC-H|LPSC|Li-In) shows an initial capacity of 200.4 mAh g-1 and retains 93.5% capacity over 1000 cycles at 1 C. Moreover, a pouch cell with a silicon anode fabricated in a dry room demonstrates stable cycling (85.1% retention over 300 cycles). This work offers a scalable and rare-earth-metal-free pathway for producing moisture-resistant HSSEs, addressing key challenges in ASSLBs' commercialization.
Thermal regulation of electrode materials offers an effective strategy for optimizing electrochemical kinetics in phosphate-based energy-storage systems. In this work, cobalt phosphate (Co3(PO4)2) (CoP) electrodes were directly synthesized on nickel foam through a hydrothermal route and subsequently annealed at different temperatures (300, 400, and 500 °C) to investigate the influence of thermal treatment on structural evolution and supercapacitive behavior. X-ray diffraction confirmed the formation of crystalline CoP, while FESEM analysis revealed a strong dependence of morphology on annealing temperature, with CoP-400 exhibiting a well-developed interconnected plate-like architecture favorable for ion transport. XPS and elemental mapping verified the successful incorporation and uniform distribution of Co, P, and O species. Electrochemical investigations demonstrated that annealing temperature critically governs charge-storage behavior, ion diffusion, and mass transport properties. Among all electrodes, CoP-400 exhibited the best electrochemical performance, delivering a high areal capacitance of 28.62 F/cm2 at 20 mA/cm2, together with the highest ionic diffusion coefficient, lowest equivalent series resistance (0.39 Ω), and dominant diffusion-controlled charge-storage contribution (89%). Furthermore, CoP-400 retained 84.44% capacitance after 12,000 cycles. An asymmetric supercapacitor assembled using CoP-400//AC achieved an areal capacitance of 302 mF/cm2, an energy density (ED) of 0.094 mWh/cm2, and excellent cycling stability. These findings highlight annealing-engineered CoP as a promising electrode material for high-performance asymmetric supercapacitors.
The ability to access atomically tailored complex peptides and proteins provides powerful opportunities for dissecting molecular functions and advancing applications in chemical biology, therapeutics, and (bio)-materials science. Robust precision-engineering strategies are essential to construct well-defined protein architectures while preserving native folding and activity. To do so, chemoselective bioconjugation techniques have been developed to modify specific side chains of amino acids. This allowed for the selective introduction of functionalities on predetermined amino acids. However, ultimate control can be achieved only through site-selective modifications that precisely define both the nature of the linkage and the exact position of conjugation on elongated peptide sequences or fully assembled proteins. Cysteine residues are of particular interest, as their highly nucleophilic thiols offer excellent chemoselectivity and typically occur in low abundance in their reduced form. Here, we examine chemoselective transformations targeting cysteine residues that have been further refined to occur exclusively at predefined positions within a peptide or protein, thereby achieving a high degree of site-selectivity. This review focuses exclusively on chemical strategies for cysteine modification, offering guidance for future synthetic developments within the field of precision chemistry. Achieving this level of precision requires advanced chemical strategies that exploit the local environment of the targeted cysteine. One approach involves leveraging neighboring functional groups, for example, engaging the thiol together with the α-amine or carboxylate to enable selective N- or C-terminal modification, respectively. In such designs, the cysteine side chain may contribute through transient interactions, direct incorporation into the covalent linkage, or the stabilization of the desired product. Recently, a promising strategy has attracted increasing attention in which site-selectivity is enabled by temporary interaction with a proximal amine, thus being applicable to differentiate also between internal cysteines. Together, these strategies highlight that site-selective protein modification has evolved into a powerful tool for the rational design and functional control of complex biomolecules, redefining what is achievable in chemical biology, therapeutics, and biomaterials science. We anticipate that increasingly routine or user-friendly approaches such as the programmable TriTEx method will further accelerate the adoption of precision biomolecule conjugates in both research and industrial settings.
Magnetic resonance imaging based on chemical exchange saturation transfer (MRI-CEST) has emerged as a powerful imaging technique for mapping physiological parameters, such as tissue pH, with high spatial resolution. This study explores the pH-responsive performance of a novel peptide-based CEST agent, selected among several candidates, when compared with the established contrast agent iopamidol. The selected hLys containing pentapeptide showed enhanced sensitivity and biocompatibility while maintaining an excellent CEST response. In vivo MRI studies further assessed its applicability for tumor pH imaging. The results demonstrate that the selected peptide-based agent displays good CEST contrast variations in response to pH changes, highlighting its potential as a pH-responsive CEST agent. The assessed pH values were very similar to those obtained upon the administration of iopamidol, a well-established pH-CEST agent. Notably, this result was obtained by administering a mass dose of contrast agent that is about 8-fold less than that used in the case of iopamidol. These findings pave the way for the development of peptide-derived MRI probes for noninvasive tumor microenvironment assessment.
Hair transplantation is a therapeutic option for androgenic alopecia (AGA) with visible results after 1 year. Post-transplant care may aid graft survival and growth, though few studies have assessed its efficacy. We evaluated the long-term tolerance and clinical efficacy of a hair serum containing two plant-derived active extracts (Silybum marianum, Lespedeza capitata) and manganese PCA, in men undergoing AGA post-hair transplant. In this 1-year exploratory randomized controlled trial, hair transplant patients received either study serum with neutral shampoo or shampoo alone. Tolerance and efficacy were evaluated by both investigators and patients at 0.5 month (M0.5) then M1, M3, M6, M9 and M12, depending on parameters, compared to baseline (before hair transplant). Thirty men [median age: 40.0 (26.0-64.0) years], 15 per group, were included. Daily use of the serum on the recipient area post hair-transplant in men with AGA improved scalp tightness at M1 and discomfort perceived as painful at M0.5 (p = NS) and M1 (p < 0.05 vs. controls), as well as hair condition at M1 evaluated by patients (p < 0.05). The global aspect of the scalp from M1 to M12 and hair growth from M6 to M12 evaluated by investigators showed more pronounced and rapid improvement vs. controls (p < 0.05). Serum tolerance and acceptability by patients were excellent. This first randomized controlled pilot trial suggested that this serum enhances global scalp aspect and hair state and appears to promote hair growth after transplantation, thus acting as a safe, dermocosmetic adjuvant for optimal long-term post-procedure hair care.
Machine learning potentials have achieved great success in accelerating atomistic simulations, among which message passing neural networks (MPNNs) have become increasingly prevalent thanks to their superior accuracy. However, MPNN potentials are difficult to be efficiently parallelized due to their semilocal architecture. Here, we propose an efficient scheme for parallelizing MPNN potentials, in which additional data communication is minimized among local atoms only in each layer without redundant computation, thus scaling linearly with the message-passing depth. This scheme is first tested on several bulk systemsincluding silver, liquid water, and high-entropy alloysdemonstrating excellent strong- and weak-scaling performance up to over 100 million atoms, extending MPNN applicability to an unprecedented scale. Moreover, we develop a universal potential trained on a comprehensive data set of C, H, O, and N, and leverage this parallel algorithm to perform efficient reactive MD simulations of graphene formation via acetylene-oxygen detonation, a central process in carbon nanomaterial synthesis. With atomic resolution, our simulations reveal how oxygen actively mediates the reaction network and identify the O2/C2H2 ratio that optimally favors graphene-precursor formation, offering mechanistic insights into the experimentally observed necessity of oxygen for controlling graphene quality and yield. The proposed parallelization framework can be readily extended to other MPNN potentials.