Browse Articles

Survival Analysis of the WSG TP-II Trial: Neoadjuvant Trastuzumab and Pertuzumab Plus Endocrine Therapy Versus Chemotherapy in Hormone Receptor–Positive/Human Epidermal Growth Factor Receptor 2–Positive Early Breast Cancer

PURPOSE The WSG TP-II trial (ClinicalTrials.gov identifier: NCT03272477 ) was designed to compare the impact of 12 weeks of neoadjuvant trastuzumab + pertuzumab combined with endocrine therapy (ET) versus chemotherapy (once per week paclitaxel) on the pathologic complete response (pCR) rate and survival in hormone receptor–positive/human epidermal growth factor receptor 2 (HER2)–positive early breast cancer (eBC). Analysis of the primary end point revealed that the pCR rate in the paclitaxel + trastuzumab + pertuzumab arm was superior compared with that in the ET + trastuzumab + pertuzumab arm (56.4% v 23.7%). METHODS Here, we present the final 5-year survival analysis of this multicenter, randomized phase II, open-label trial, with 207 participants randomly assigned 1:1 to the two study arms. All patients received dual HER2 blockade in the adjuvant setting. Further standard chemotherapy was obligatory in all patients with non-pCR, but optional after pCR. RESULTS After a 5-year follow-up, an overall survival rate of 100% (95% CI, 100.0 to 100.0) in the ET arm versus 97.9% (95% CI, 95.0 to 100.0) in the paclitaxel arm was estimated. The corresponding 5-year event-free survival-ductal carcinoma in situ rates were 92.1% (95% CI, 86.6 to 97.9) versus 94.8% (95% CI, 90.5 to 99.3), and 5-year invasive disease-free survival rates were 97.7% (95% CI, 94.5 to 100.0) versus 79.8% (95% CI, 55.6 to 100.0). CONCLUSION Our results show excellent survival outcomes in patients with hormone receptor–positive/HER2–positive eBC who received either a de-escalated chemotherapy or ET in combination with trastuzumab and pertuzumab in the neoadjuvant setting. WSG TP-II confirms the safety and efficacy of a de-escalated and well-tolerated neoadjuvant therapy approach with pCR-guided adjuvant therapy in hormone receptor–positive/HER2–positive eBC.

Research on prediction method for blast vibration waveforms considering peak-time variation

Thermal decomposition and pre-reduction of goethitic iron ore fines and their effects on phase transformation and material properties

Abstract During high-temperature in-flight flash reduction of iron ores, goethitic particles undergo rapid structural changes. This study examines the influence of goethite on pre-reduction performance in a drop-tube furnace, focusing on the hematite to magnetite reduction step. Three iron ores (OreA, OreB, and OreC) with distinct mineralogical and physical characteristics were reduced in N 2 and atmospheres containing 95 % CO 2 with 5 % CO or H 2 at temperatures between 1658 and 1760 K. Compared to ores containing hematite as the sole iron-bearing phase, goethite-containing ores exhibit enhanced cracking and fragmentation during thermal decomposition, leading to changes in particle size and density. A comparison of OreB (lower goethite) and OreC (higher goethite) shows that the importance of particle residence time increases with goethite content. Higher pre-reduction was achieved at 80 ms for OreB and at 430 ms for OreC during thermal decomposition. Despite the use of reducing gases, reduction beyond magnetite was not observed due to large particle sizes (> 100 µm) and residence-time limitations of the drop-tube furnace. Further reduction (Fe 3 O 4 → FeO) was assessed using thermogravimetric analysis. Across both experimental set-ups, thermal decomposition has a higher impact on the total reduction than the gas reduction. EBSD analysis identified two reaction mechanisms, internal pore diffusion and surface product layer diffusion. Balanced mineralogical properties (as in OreB) were found to be critical for effective early stage in-flight flash reduction.

Large language model accuracy in dental radiology: effects of cognitive complexity and content domain

Cubic RSM modeling and multi-criteria evaluation of stainless-steel electrodes for EC of real carwash wastewater

Abstract This study investigates the treatment of carwash wastewater using the electrocoagulation (EC) process with stainless steel electrodes in a batch electrochemical reactor. The effects of pH (5–9), reaction time (5–50 min), and current (0.5–2 A) on chemical oxygen demand (COD) removal were examined to identify the most effective operating conditions. Response Surface Methodology (RSM) was applied to analyze the interaction between these variables and to develop a predictive model for process optimization. The model achieved a prominent level of accuracy, with an R 2 value of 0.973, and predicted a maximum COD removal efficiency of 89.82% at pH 9, a current of 2 A, and a treatment time of 27.5 min with a 3.0 cm electrode spacing. Experimental results showed that electrode configuration also played a significant role in system performance. Among the tested designs, the flat mesh electrode achieved the highest COD removal (78.3%), followed by the cylindrical mesh (76.6%), the solid rod (71%), and the flat sheet (59%) under the same initial conditions. In addition, a Multi‑Criteria Decision‑Making (MCDM) analysis was carried out to evaluate the electrodes based on technical performance, energy demand, durability, and cost. The MCDM results supported the experimental findings, identifying the flat mesh electrode as the most suitable option for carwash wastewater treatment using EC. Overall, the study confirms that combining RSM with MCDM provides a reliable approach for optimizing EC systems and selecting the most efficient electrode configuration.

Explainable AI for chest radiographs: sex-stratified fairness auditing in CNN-based pneumonia detection

Abstract Artificial intelligence (AI) systems for chest X-ray (CXR) interpretation can achieve high standalone diagnostic accuracy, yet limited transparency raises concerns about subgroup disparities. We audited sex-stratified performance and attention patterns in CNN-based pneumonia detection using the RSNA Pneumonia Detection Challenge dataset (26,684 frontal adult CXRs). ImageNet-pretrained InceptionV3 models were trained across five prespecified random seeds and combined as a seed-ensemble. Analyses used a prespecified, fixed, patient-level sex- and label-balanced test set (n = 1,000; 250 pneumonia-positive and 250 pneumonia-negative per sex) and a single validation-derived operating point held constant across sex. Baseline performance was robust (AUROC 0.859 [0.836, 0.881], Brier 0.155 [0.141, 0.169]). Males showed higher discrimination than females (AUROC 0.882 vs 0.837, gap + 0.045 [+ 0.002, + 0.091]) and a lower false-positive rate (FPR gap − 0.073 [− 0.145, − 0.006]). To contextualize disparities, we quantified Grad-CAM attention relative to lung segmentation masks; in-lung activation was lower in females (60.8% vs 64.7%, M − F + 3.9 pp [+ 1.6, + 6.4]). A combined mitigation (group-balanced sampling + adversarial debiasing) preserved performance (AUROC 0.864 [0.843, 0.885]) while reducing AUROC/specificity gaps and attenuating the false-positive disparity. Quantitative explainability can complement fairness auditing and mitigation in medical imaging.

Highly Emissive and Stable Ge(II)‐ and Sn(II)‐Based Vacancy‐Ordered Iodide Double Perovskites

ABSTRACT Vacancy‐ordered double perovskites (VODPs) of the A 2 B □ X 6 type (□ = ordered B ‐site vacancy) incorporating stereochemically active n s 2 metals are promising lead‐free self‐trapped exciton (STE) emitters. However, efficient and stable iodide VODPs with n s 2 metals as the lattice centers remain rare. Here, we develop N ‐alkylated 1,4‐diazabicyclo[2.2.2]octane (dabco)‐derived diammonium cations Rdabco 2+ (R = Me, Et, or Pr; mono‐alkylated or N , N ′‐dialkylated), to access iodide VODPs (Rdabco) 2 B □I 6 with B = Ge(II) or Sn(II). Varying the R group and alkylation across six cations effectively tunes the steric hindrance and lattice strain, enhancing oxidation tolerance and yielding zero‐dimensional lattices of isolated [ B I 6 ] 4 − octahedra. The materials exhibit bright room‐temperature STE emission with photoluminescence quantum yields (PLQYs) up to 35.0% for Ge and 36.8% for Sn. Notably, the highest PLQY of the Ge VODP is approximately seven times that of the highest reported Ge(II) iodide compounds. Structure–photophysics correlations reveal distinct determinants: the Ge PLQYs correlate with [GeI 6 ] 4 − octahedral distortion, whereas the Sn PLQYs reflect a more complex balance between radiative and nonradiative relaxation channels rather than a single distortion metric. These materials exhibit high ambient stability up to two months whereas the 3D perovskite analogs decompose within three days.

Comparative genomics of the Nap2-2B clade reveals substrate partitioning and niche diversification among uncultured hydrocarbon-degrading Desulfotomaculales

An Electron Relay Driven by Built‐in Electric Fields for Self‐Sustaining and External‐Energy‐Free Fenton‐Like Catalysis

ABSTRACT Efficiency in Fenton‐like processes is often bottlenecked by the sluggish redox cycling of metal centers. Herein, we report a self‐sustaining and energy‐free catalysis strategy by constructing an intermetallic potential difference‐induced built‐in electric field (BIEF) to drive an “electron relay” within bimetallic spinels (AB 2 O 4 A = Ni, Cu, Zn; B = Co, Fe, Mn). The intrinsic potential gradient between the A‐site and B‐site metals triggers a spontaneous charge redistribution, establishing an atomic‐level electron transmission channel. Experimental results and theoretical calculations reveal that CuCo 2 O 4 possesses the most robust BIEF, which significantly accelerates the “electron relay” for H 2 O 2 activation. This mechanism enables a closed‐loop valence cycling between (Cu(II)/Cu(I) and Co(III)/Co(II)), achieving highly efficient and continuous generation of reactive oxygen species without any external energy input. Consequently, the CuCo 2 O 4 system exhibits a bisphenol A degradation rate that is 2.45 and 5.69 times higher than those of CuFe 2 O 4 and CuMn 2 O 4 respectively, along with exceptional stability across a wide pH range (5–9). When integrated into a hollow fiber membrane, the system demonstrates a high flux of 318 L·m −2 ·h −1 and long‐term operational durability. This work provides a transformative perspective on designing autonomous catalytic systems for sustainable water remediation.

Deep learning based groundnut and paddy leaf disease classification using dual attention network

Palladium‐Catalyzed Regiodivergent Telomerization of Isoprene With Oxindoles

ABSTRACT Transition metal‐catalyzed nucleophilic telomerization of isoprene is an efficient strategy for the construction of monoterpene skeletons, yet its development has been impeded by inherent challenges of chemo‐ and regioselectivity control, especially in reactions with carbon nucleophiles. Herein, we developed a versatile palladium catalysis for the regiodivergent telomerization of isoprene with oxindoles through synergistic control of ligands, solvents, and additives. In the presence of aprotic solvent NMP, we revealed the electron‐rich and less bulky tri(2‐furyl)phosphine (TFP) ligand can facilitate the exclusive formation of tail‐to‐tail geranyl oxindoles, meanwhile the reactivity was severely improved by adding base as additive. On the other hand, a newly designed hemilabile phosphine ligand enables selective access to tail‐to‐head isomer, where the MeOH worked as an irreplaceable solvent choice. Mechanistic experiments and density functional theory (DFT) calculations were conducted, which indicate that protolysis of the η 1 ,η 3 ‐diallyl–Pd(II) complex is speculated to be the rate‐determining step. Apart from oxindoles, this regiodivergent protocol could also be applied to the nucleophilic telomerization of isoprene with a broad scope of amines. Furthermore, the synthetic utility of current synthetic strategy was illustrated by late‐stage alkene isomerization, as well as various derivatizations that effectively expand the structural diversity of monoterpenoids and complement alkaloid frameworks.

Post-exposure booster vaccination recalls vaccine-induced memory and accelerates Bordetella pertussis clearance in murine lungs and trachea

Abstract Despite high vaccination coverage, pertussis continues to cause substantial morbidity in infants, largely because acellular pertussis (aP) vaccines do not prevent bacterial carriage and transmission. Whether post-exposure booster vaccination can rapidly reduce respiratory carriage and thereby limit transmission remains unclear. We used an adoptive murine transfer model mimicking waning vaccine-induced antibodies observed in humans to assess the impact of post-exposure aP vaccination following respiratory challenge with Bordetella pertussis . Bacterial loads in the lungs and trachea and pertussis-specific antibody responses were assessed across multiple independent experiments. Post-exposure aP vaccination triggered a rapid recall of pertussis-specific antibodies and significantly accelerated bacterial clearance from both lungs and trachea. Compared with non-boosted immune mice, vaccinated animals showed significantly lower bacterial loads on days 7, 10, and 14 after exposure and cleared Bordetella pertussis earlier ( p  < 0.01). Similar reductions in bacterial burden were observed with delayed boosting, lower-antigen-content vaccines, and passive immunization. In this preclinical model, post-exposure pertussis booster vaccination efficiently recalls memory B cells and accelerates Bordetella pertussis clearance in the lung and upper airways. These findings support the potential role of post-exposure vaccination strategies as a complementary approach to limit transmission in household and community settings and thus better control epidemics.

Synergistic Ru/RuO ₂ Nano‐Islands and Satellite Ru–N ₄ Sites for Efficient Nitrogen Photofixation via Dual Pathways

ABSTRACT Solar‐driven nitrogen oxidation reactions for nitrate production are a promising alternative to the traditional energy‐intensive nitrate synthesis industry. Nevertheless, its performance is fundamentally hampered by inefficient charge carrier utilization, the intrinsic inertness of nitrogen molecules, and insufficient mechanistic insights into the reaction pathway. Here, we report a synergistic nano‐island/sea catalyst composed of Ru/RuO 2 nanoparticles (NPs, as nano‐islands) and densely dispersed satellite‐like Ru−N 4 single‐atom sites (as the sea) anchored on mesoporous carbon nitride. This photocatalyst delivers a high NO 3 − production rate of 14.34 mg g cat −1 h −1 , together with an apparent quantum yield of 5.2% at 420 nm. The Ru−N 4 sites and Ru NPs preferentially capture photogenerated electrons to activate N 2 and O 2 , producing *N 2 and ·OH, respectively. RuO 2 NPs trap photogenerated holes to promote interfacial H 2 O dissociation, generating additional ·OH radicals. We further revealed that ·OH facilitates the rapid cleavage of the N≡N bond to form *NO intermediates, which are subsequently converted to NO 3 − through dual pathways: (1) direct oxidation of *NO to NO 3 − by ·OH radicals, (2) *NO → NO 2 oxidation by O 2 and subsequent spontaneous NO 2 → NO 3 − . The latter pathway dominates under O 2 ‐enriched ambient conditions. This study provides a promising strategy for designing efficient catalysts for nitrogen photofixation.

Numerical simulation of mitochondrial systems for ATP generation and membrane transport

Abstract Simulating intracellular biochemical reactions remains a significant challenge in mathematical modeling because of the complex interactions among diverse molecular species. The natural number simulation (NNS) framework offers a dynamic approach to simulating these reactions using a novel algorithm based on reaction equations. In this study, we developed a computational cell model incorporating mitochondria to examine key metabolic processes, including glucose uptake, glycolysis, the tricarboxylic acid cycle, and ATP synthesis via the electron transport chain. Substrate transport mediated by membrane proteins, such as pyruvate and nicotinamide adenine dinucleotide transporters, and the electron transport chain, was replicated using simplified reaction equations. The simulation results showed that, with appropriately chosen rate constants, the ATP production rate reached approximately 155 molecules s − 1 per ATP synthase . Sensitivity analysis indicated that the number of mitochondrial phosphate transporters and the rate of phosphate transport into mitochondria strongly influence ATP production. The model also showed that intermittent glucose supply has a minimal impact on ATP production and that the framework is capable of incorporating the effects of deuterium-containing water on ATP synthesis. This framework provides a foundation for future efforts in simulating more detailed metabolic pathways and integrating experimental data.

Heteronuclear Neighboring Co–Mn Single‐Atom Pairs as a Synergistic Platform for Oxidative C–H Functionalization

ABSTRACT The transition from conventional single‐atom catalysts to heteronuclear neighboring single‐atom catalysts presents a compelling strategy to address the limitations associated with isolated metal sites in multielectron oxidative transformations. Herein, we report a Co–Mn heteronuclear single‑atom catalyst (Co 1 ‐Mn 1 /NC) in which atomically dispersed Co and Mn species are anchored on a nitrogen‑doped carbon support to form well‑defined neighboring active pairs with an interatomic distance of ∼2.6 Å. This configuration provides a synergistic platform that markedly outperforms its monometallic Co and Mn counterparts in two challenging oxidative C–H functionalization reactions: the selective oxidation of acenaphthene to 1‑acenaphthenol (99.9% conversion, 97.7% selectivity) and the oxidative condensation of benzyl alcohol with methanol to benzaldehyde dimethyl acetal (63.4% conversion, 94.7% selectivity). Atomic‑resolution characterization and DFT calculations elucidate the origin of this synergy, revealing a division of labor between the two metal centers. In acenaphthene oxidation, the Co–Mn pair cooperatively activates molecular oxygen and facilitates C–H bond dissociation with a substantially reduced energy barrier. In the oxidative condensation, the Co site preferentially activates methanol while the adjacent Mn site stabilizes the key *PhCHO intermediate. This work establishes heteronuclear neighboring Co–Mn pairs as a platform for synergistic multifunctional catalysis.

Synthesis, spectral, nonlinear optical properties, molecular docking and cytotoxicity studies on some metal complexes derived from 2-Cyano-N’-(2-Hydroxybenzylidene)-3-Phenylacrylohydrazide 

Abstract The synthesis and investigation of 2-cyano-N’-(2-hydroxybenzylidene)-3-phenylacrylohydrazide (H 2 L) and its Ni 2+ , Cu 2+ , Co 2+ and Zn 2+ complexes are discussed in this paper. These compounds were characterized with different techniques, including CHN, IR, MS, 13 C & 1 HNMR, TGA, ESR, UV-Visible and the magnetic moments. DFT calculations (DFT/B3LYP) level was used for geometry optimization of the suggested structures with 6-311 + + G(d, p) basis set. An octahedral stereochemistry was suggested for Ni 2+ and Co 2+ complexes while; a square planar geometry was proposed for Cu 2+ complex. The results proposed four coordinated stereochemistry for Zn 2+ complex. The IR spectra of the H 2 L were simulated and compared with the experimental result, achieving a correlation coefficient R 2  = 0.99976. The UV-visible spectra were used in determining the optical band gaps and found to be in the range 3.26–3.28 eV. Non-linear optical (NLO) properties of the DFT optimized compounds were investigated and indicated higher values in comparison with urea. The molecular docking was utilized to study the possible interactions between the synthesized compounds and the targeted proteins of liver and colon cancer. The suggested compounds were examined towards HeP2G and HCT-116 cell lines to determine their anticancer activity that are compared to Doxorubicin and Sorafenib as standards. H 2 L exhibited strong cytotoxicity against HeP2G cell line; on the other hand, Zn 2+ complex exhibited strong cytotoxicity against HCT-116 cell line.

Linker‐Enabled Self‐Nitridation and Multistep Pyrolysis Pathways of Cu–Triazolate MOFs Toward Cu ₃ N/Carbon Fibers

ABSTRACT Metal–organic framework (MOF) pyrolysis is widely used to produce functional nanomaterials, yet it is still commonly regarded as a simple thermal decomposition or templating process. Here, we show that a Cu(II)–1,2,3‐triazolate (trz) MOF functions as a nanoreactor in which intrinsic metal–linker chemistry governs the evolution of both phase and morphology. Strikingly, the triazole ring remains preserved throughout the pre‐pyrolysis phase transitions that lead to the formation of Cu atomic clusters. These highly reactive Cu clusters and the preserved triazolate are essential for the subsequent formation of metal nitride, as they enable efficient nitridation at an unusually low temperature. Without introducing any external nitrogen source, the Cu clusters react with NH 3 released from linker decomposition, leading to the formation of Cu 3 N rather than crystallization into metallic Cu particles. By combining in situ and ex situ characterization, we show that copper, nitrogen species, and the carbonizing matrix evolve sequentially rather than independently. As a result, Cu 3 N is selectively stabilized over metallic Cu within a fibrous N‐doped carbon network. Beyond offering a self‐nitridation route to Cu 3 N, this work highlights the critical role of transient intermediates in directing MOF pyrolysis outcomes and redefines MOF pyrolysis as a chemically interactive process.

Deep learning model for predicting fracture redisplacement in conservatively treated distal radius fractures using radiographs: a retrospective cohort study

Three Component Thio‐ and Carboboration of Alkynes: A Modular Route to Functionalised Bicyclic Boronates

ABSTRACT The three‐component elemento‐boration of alkynes using a borane and a nucleophile is a highly efficient method to generate complex alkenyl‐boranes. Benzoxaborinines are a class of alkenyl boranes of considerable importance, including in the fight against antibiotic resistance. However, a three‐component elemento‐boration process to form functionalised benzoxaborinines was an unmet challenge before this work. Herein, we report operationally simple three‐component thio‐ and carbo‐boration reactions to form functionalised benzoxaborinines using commercially available reagents. The processes also were applicable to form functionalised benzazaborinines, which are of interest as naphthalene bioisosteres. The nucleophile scope included thioethers, thiols, and (hetero)arenes. In contrast, when using amine nucleophiles, alkyne hydroamination occurred to form boranils. Mechanistic studies revealed a disparity between thioboration using thioethers and using thiols. While thioethers are effective nucleophiles in their own right, when using thiols the in situ formation of tri‐thioboranes ((RS) 3 B) proceeded prior to thioboration, with thioborate anions ([(RS) 4 B)] − ) calculated to be the key nucleophile. Note, combining Et 2 O∙BF 3 /RSH and a hindered base is attractive as a simple route to form tri‐thioboranes in situ. Overall, this work is a notable addition to the toolbox for making functionalised bicyclic boronates, while demonstrating that the ubiquitous borane Et 2 O·BF 3 can still be used to discover new borylation processes.

Research on tissue injury of low-temperature plasma ablation with different saline temperatures