julilili42/papers huggingface dataset:
Time- and Temperature-Resolved Triplet Dynamics in Tungsten Iodide Clusters
2025-05-27

This study comprehensively investigates the excited-state dynamics of two tungsten iodide prototype clusters, [(W6I8)I6]2- and [(W6I8)(TFA)6]2- (TFA = trifluoroacetate) utilizing a combination of ultrafast transient absorption spectroscopy from 200 fs up to 400 μs and temperature-dependent emission spectroscopy from 4 to 340 K. Both clusters exhibit rapid intersystem crossing occurring within 6 picoseconds, populating triplet states that subsequently deactivate through emission or dynam-ical bimolecular quenching involving molecular oxygen. The temperature-dependent emission behavior aligns well with a group-theoretical spin sublevel model, indicating three distinct emissive sublevels. However, contrary to previous findings in molybdenum-based clusters, no additional splitting of the lowest triplet states was observed experimentally. Time-dependent density functional theory (TDDFT) calculations highlight substantial excited-state geometrical distortions, suggesting limita-tions in sole group-theoretical descriptions. Instead, we propose a relativistic model with three thermally accessible excited-state geometries, each presenting three triplet sublevels.
TDP-43 overexpression in the hypothalamus drives neuropathology, dysregulates metabolism and impairs behavior in mice
2025-05-27

Abstract TAR DNA-binding protein 43 (TDP-43) pathology is linked to the neurodegenerative disorders amyotrophic lateral sclerosis (ALS), frontotemporal dementia (FTD) and Huntington disease (HD). Dysregulation of metabolism and emotion is shared across these disorders and may be caused by hypothalamic pathology. Inclusions with TDP-43 are present in the hypothalamus in clinical ALS, as well as selective loss of hypothalamic neurons expressing the metabolism and emotion regulating neuropeptides hypocretin (orexin), melanin-concentrating hormone (MCH) and oxytocin. We aimed to investigate whether there is a casual link between the effects of TDP-43 in the hypothalamus and the development of neuropathology, as well as changes in metabolism and behavior. We generated an adeno-associated viral (AAV) vector expressing human TDP-43 under the neuronal-specific synapsin promoter, which was injected bilaterally into the hypothalamus of wild-type FVB/N mice. TDP-43 overexpression resulted in hypothalamic pathology in a dose-dependent fashion replicating clinical pathology with hypothalamic atrophy and loss of hypocretin-, MCH- and oxytocin-expressing neurons. Nuclear and cytoplasmic inclusions of TDP-43 were found in the hypothalamus. Mice overexpressing TDP-43 in the hypothalamus developed metabolic dysregulation with hyperglycaemia independent of food intake. Additionally, mice overexpressing TDP-43 in the hypothalamus exhibited reduced motor activity and nesting ability, suggesting the development of an apathy-like phenotype. Taken together, AAV-vector mediated TDP-43 overexpression in the hypothalamus leads to neuropathology with the development of metabolic dysfunction and apathy-like behavior. These results indicate that TDP-43 can exert direct pathological effects in the hypothalamus, which may contribute to the development of the non-motor phenotype in TDP-43 proteinopathies.
Hybrid Sub- and Superradiant States in Emitter Arrays with Quantized Motion
2025-05-27

Ensembles of dipolar emitters which couple collectively to the radiation field display sub- and superradiance. These terms refer to a reduction or an enhancement of photon emission rates due to the interference of emission channels. Arrays of trapped neutral atoms constitute a promising platform for harnessing this phenomenon in technological applications, e.g., for excitation storage, single-photon switches, and mirrors. However, quantum and thermally induced vibrations of the atoms within their traps lead to position fluctuations that entangle the motion and the internal atomic degrees of freedom. We develop here a theory for collective atom-light coupling in the presence of this quantized motion within the Lamb-Dicke limit. We show the existence of sub- and superradiant states that are hybrids of electronic and vibrational excitations, investigate their properties for analytically and numerically efficiently solvable cases, and discuss how a finite temperature affects the collective photon emission.
Understanding partitioning in two-phase systems with induced miscibility gaps—comparing SWIEET and QuEChERS
2025-05-27

Abstract Our salt-free SWIEET extraction method, recently developed, uses a mixture of acetonitrile and isopropanol as extraction solvents for extractions from aqueous solutions. Glucose was added to induce a phase separation between an aqueous and an organic phase, both of which contain water, acetonitrile, and isopropanol, but in different fractions. During method development, we observed that the amounts of isopropanol or glucose added greatly influenced analyte recoveries. This study aims to better understand the effects underlying especially the enhanced extraction of very polar and charged analytes. We varied the type and concentration of additives in SWIEET double extractions and investigated their effects on the recoveries of a broad range of analytes. Furthermore, the organic and aqueous phases resulting from the extractions were characterized with NMR, solvatochromic dyes, and Karl Fischer titration, to gain a deeper understanding of the effects of phase composition, the polarity and water content of the phases, and the phase ratio. Significant differences between QuEChERS and SWIEET were observed regarding the water content of the organic phase. In contrast, differences in phase composition between SWIEET double extraction steps were minor, and we discussed the high phase ratio of the organic to aqueous phase to be a major reason for the enhanced recoveries of polar analytes in the second extraction step. Graphical Abstract
How perceptions of bone marrow donation costs affect donation behavior: survey evidence from a large donor registry
2025-05-27

Abstract Over the past three decades, advancements in collection methods for hematopoietic stem cell transplantation substantially reduced invasiveness and safety concerns. To what extent, however, registered donors are informed about extraction methods and how their beliefs drive their willingness to follow through with a donation is not well understood. Inaccurate beliefs about extraction methods may cause donors to overestimate their perceived cost, potentially reducing donations. In a survey with about 24,000 potential donors in Germany’s largest stem-cell registry, we investigate how beliefs about extraction methods affect potential donors’ willingness to follow through with a stem cell donation. We find widespread misconceptions about extraction methods, with many donors attributing a significant fraction of stem cell extractions to be coming from never-used methods. Importantly, a lack of knowledge and misconceptions about extraction methods persist among registered donors, often anchored to methods that prevailed at the time of registration. Exploring the link between donors’ beliefs and their (stated) willingness to donate, we find that accurate beliefs about lower extraction costs correlate with a 2.2–2.9 percentage points higher willingness to donate, representing a 40% reduction in donor unavailability. Our results highlight the need for informational campaigns to correct donors’ misconceptions and potentially save more lives among blood cancer patients.
A probabilistic approach to visualize the effect of missing data on PCA in ancient human genomics
2025-05-27

Abstract Background Principal Component Analysis (PCA) is widely used in population genetics to visualize genetic relationships and population structures. In ancient genomics, genotype information may in parts remain unresolved due to the low abundance and degraded quality of ancient DNA. While methods like SmartPCA allow the projection of ancient samples despite missing data, they do not quantify projection uncertainty. The reliability of PCA projections for often very sparse ancient genotype samples is not well understood. Ignoring this uncertainty may lead to overconfident conclusions about the observed genetic relationships and population structure. Results This study systematically investigates the impact of missing loci on PCA projections using both simulated and real ancient human genotype data. Through extensive simulations with high-coverage ancient samples, we demonstrate that increasing levels of missing data can lead to less accurate SmartPCA projections, highlighting the importance of considering uncertainty when interpreting PCA results from ancient samples. To address this, we developed a probabilistic framework to quantify the uncertainty in PCA projections due to missing data. By applying our methodology to modern and ancient West Eurasian genotype samples from the Allen Ancient DNA Resource database, we could show a high concordance between our predicted projection and empirically derived distributions. Applying this framework to real-world data, we demonstrate its utility in predicting and visualizing embedding uncertainties for ancient samples of varying SNP coverages. Conclusion Our results emphasize the importance of accounting for projection uncertainty in ancient population studies. We therefore make our probabilistic model available through TrustPCA, a user-friendly web tool that provides researchers with uncertainty estimates alongside PCA projections, facilitating data exploration in ancient human genomic studies and enhancing transparency in data quality reporting.
Scheiternde Subjekte?
2025-05-27

Abstract While Franz Kafka‘s literary works might not intuitively seem to align with theoretical or sociological works on subjectivation, a deeper look reveals that many of his narratives are centered around questions of the subject. By narrating subjectivation as failing, his works are able to broaden the understanding of the complex processes of subject constitution. Ex negativo , productive elements of the constitution of subjects are focused, especially moments of social recognition and orientation. Since the narratives are literary texts, they furthermore are able to open genuine, new perspectives on that matter: They allow a look on the inside, the feelings and reflections of the becoming subject. Kafka’s literary reflections on the failing subject can therefore be considered a productive enrichment to the poststructuralist subject theories of Louis Althusser, Michel Foucault and Judith Butler.
Persulfate activation by biochar for trace organic contaminant removal from urban stormwater
2025-05-28

Persistent and mobile trace organic contaminants (TrOCs) in urban stormwater are difficult to remove through sedimentation- or sorption-based treatment and pose a risk to aquatic ecosystems and drinking water supplies. We demonstrate that the chemical oxidant peroxydisulfate (PDS) can be activated by shrimp shell biochar at pH 7 to form reactive species that selectively react with widespread stormwater contaminants. Of 11 TrOCs tested, oxidative transformation was observed for 1,3-diphenylguanidine, 2-hydroxybenzothiazole, 1H-benzotriazole, 5-methyl-benzotriazole, and diuron during water treatment with biochar and PDS. Laboratory batch experiments conducted with street runoff and a synthetic water showed that the water matrix, containing up to 7.5 mg L<sup>-1</sup> dissolved organic carbon and 100 mM chloride, had a minor effect on the formation of reactive species and contaminant transformation. Using a set of scavengers and probe compounds, we provide evidence for singlet oxygen (<sup>1</sup>O<sub>2</sub>) as the predominant reactive species in the biochar/PDS system, which is in agreement with the selectivity of the process to oxidize electron-rich organic contaminants. The results of our study inform new strategies for stormwater treatment using heterogeneous oxidation processes for the abatement of persistent and mobile organic contaminants.
Competition between shape anisotropy and deformation in the ordering and close packing properties of quasi-one-dimensional hard superellipse fluids
2025-05-28

We investigate the orientational ordering and close-packing behavior of a quasi-one-dimensional (q1D) system of hard superellipses, where the centers of the particles are confined to a line, but they can rotate freely within a two-dimensional plane. The particle shape is tuned between an ellipse and a rectangle by varying the deformation parameter (n). The elongation of the particle is changed using the aspect ratio (k). The pressure ratio between freely rotating and parallel hard superellipses, which displays a single peak, serves as an effective marker for the continuous structural change from quasi-isotropic to nematic ordering. Our findings reveal a competition between the parameters k and n, with k promoting nematic alignment and n favoring tetratic ordering. Notably, in the close-packing regime, the packing properties become independent of k, as the relevant exponents depend solely on n. Furthermore, certain combinations of these exponents exhibit universality, remaining invariant with respect to particle shape.
ARCHES: 5-year follow-up overall survival (OS) analysis of enzalutamide (ENZA) plus androgen-deprivation therapy (ADT) in patients (pts) with metastatic hormone-sensitive prostate cancer (mHSPC).
2025-05-28

5005 Background: In 2021, final prespecified OS (key secondary endpoint; defined as time from randomization to death from any cause) analysis of the global phase 3, randomized, double-blind, placebo (PBO)-controlled ARCHES trial (NCT02677896) demonstrated that ENZA + ADT significantly reduced risk of death by 34% versus PBO + ADT in pts with mHSPC (medians not reached [NR]; hazard ratio [HR] 0.66; 95% confidence interval [CI]: 0.53–0.81; p&lt;0.0001; median follow-up, 44.6 months). To assess long-term efficacy of ENZA + ADT, we report an updated OS analysis as of July 31, 2024 (median follow-up, 61.4 months). Methods: In ARCHES, 1150 enrolled pts with mHSPC were randomized 1:1 to ENZA (160 mg once daily) + ADT or PBO + ADT. After primary analysis of radiographic progression-free survival (primary endpoint), ARCHES was unblinded to allow eligible patients who were randomized to PBO + ADT to cross over to ENZA + ADT in an open-label extension. Using extended follow-up data with median follow-up &gt;5 years (cut-off date: July 31, 2024), Kaplan–Meier method was used to summarize the OS endpoint by treatment, with two-sided 95% CIs calculated by the Brookmeyer–Crowley method. HRs relative to PBO + ADT were determined using Cox regression model stratified for prior docetaxel use and disease volume. Results: ENZA + ADT (n=574; median [range] age = 70.0 [46–92] years) and PBO + ADT (n=576; median [range] age = 70.0 [42–92] years) cohorts had similar baseline characteristics. 184 (31.9%) PBO + ADT pts crossed over to open-label ENZA + ADT (median [range] age = 69.0 [51–89] years). After a median follow-up of 61.4 months, ENZA + ADT extended survival compared with PBO + ADT (medians NR; HR 0.70; 95% CI: 0.58–0.85; p=0.0003), with consistently improved survival across clinically relevant subgroups analyzed (Table), including a 36-month improvement in median OS in high-volume patients. Conclusions: Long-term follow-up of ARCHES demonstrated results consistent with previous OS analyses, with marked benefit in all study subgroups, including high- and low-volume patients, despite a substantial cross-over cohort. These findings further support ENZA + ADT as a standard-of-care for pts with mHSPC. Clinical trial information: NCT02677896 . Subgroup ENZA + ADTN (events) ENZA + ADT(median months) PBO + ADTN (events) PBO + ADT(median months) HR (95% CI) All 574 (191) NR 576 (223) NR 0.70 (0.58–0.85) Age &lt;65 years 148 (46) 86.4 152 (55) NR 0.63 (0.42–0.93) Age ≥65 years 426 (145) NR 424 (168) NR 0.73 (0.58–0.91) Low-volume disease 220 (50) NR 203 (57) NR 0.71 (0.49–1.05) High-volume disease 354 (141) 83.1 373 (166) 47.6 0.70 (0.56–0.88) No prior docetaxel 471 (157) NR 474 (179) NR 0.71 (0.57–0.88) Prior docetaxel 103 (34) 83.1 102 (44) 59.5 0.67 (0.43–1.05) Synchronous (de novo): ≤90 days 438 (161) 86.4 439 (186) 58.9 0.71 (0.57–0.88) Metachronous (relapsed): &gt;90 days 132 (29) NR 136 (37) NR 0.66 (0.41–1.08)
Nivolumab plus ipilimumab (NIVO+IPI) vs gemcitabine-carboplatin (gem-carbo) chemotherapy for previously untreated unresectable or metastatic urothelial carcinoma (mUC): Final results for cisplatin-ineligible patients from the CheckMate 901 trial.
2025-05-28

4500 Background: Platinum-based chemotherapy is a standard of care (SOC) for unresectable or mUC; patients (pts) ineligible for cisplatin (cis) have worse outcomes. The phase 3, global, open-label, randomized CheckMate 901 trial (NCT03036098) compared NIVO+IPI vs gem-carbo in cis-ineligible pts with previously untreated unresectable or mUC. Here, we report final results. Methods: Pts with previously untreated, histologically confirmed, unresectable or mUC who were cis-ineligible (glomerular filtration rate ≥ 30 to &lt; 60 mL/min) were randomized 1:1 to NIVO 1 mg/kg + IPI 3 mg/kg Q3W up to 4 cycles, then NIVO 480 mg Q4W until disease progression/unacceptable toxicity or up to 2 years, or to gem-carbo Q3W for up to 6 cycles. Pts were stratified by tumor PD-L1 expression and liver metastasis. The primary endpoint was overall survival (OS). Progression-free survival (PFS) by blinded independent central review (BICR) was a secondary endpoint. Objective response rate (ORR) per BICR, duration of response (DOR) per BICR, and safety were exploratory. Results: 445 pts were randomized (NIVO+IPI, n = 221; gem-carbo, n = 224). Median time to treatment discontinuation (95% CI) was 2.2 (2.1–3.5) mo with NIVO+IPI vs 3.8 (3.5–3.9) mo with gem-carbo. After minimum follow-up (58.3 mo), the primary endpoint of OS did not meet the threshold for significance (median, 19.1 mo with NIVO+IPI vs 13.2 mo with gem-carbo; HR 0.79 [98.27% CI, 0.61–1.01]; P = 0.0245; Table). PFS, ORR, and DOR are shown in the Table. Any-grade treatment-related adverse events (TRAEs) occurred in 89.0% (grade 3–4, 47.2%) of NIVO+IPI-treated and 92.9% (grade 3–4, 76.3%) of gem-carbo-treated pts; any-grade TRAEs leading to discontinuation occurred in 31.2% and 14.2% of pts, respectively. There were 8 deaths related to toxicity (NIVO+IPI, 7; gem-carbo, 1). Conclusions: NIVO+IPI did not meet the threshold of statistical significance for improved OS vs gem-carbo in cis-ineligible pts with untreated unresectable or mUC. Durable response and favorable landmark OS with NIVO+IPI show meaningful activity from a chemotherapy-free regimen of finite duration. No new safety signals were identified. Clinical trial information: NCT03036098 . Efficacy (95% CI) NIVO+IPI;n = 221 Gem-carbo;n = 224 HR mOS 19.1 (13.5–22.6) 13.2 (11.6–15.2) 0.79 (98.27% CI, 0.61–1.01) a ; P = 0.0245 b 12-mo OS rate 59.7 (52.8–65.9) 54.3 (47.4–60.7) – 36-mo OS rate 29.6 (23.5–35.9) 19.3 (14.3–24.9) – mPFS 5.3 (3.8–6.0) 5.9 (5.6–7.6) 0.90 (95% CI, 0.72–1.12) 12-mo PFS rate 31.5 (25.0–38.2) 17.2 (11.8–23.4) – 36-mo PFS rate 20.0 (14.3–26.5) 4.9 (2.1–9.6) – ORR 35.3 (29.0–42.0) 38.8 (32.4–45.6) - mDOR 25.0 (14.8–61.8); n = 78 7.4 (5.8–8.5); n = 87 - a Statistical inference based on adjusted CI: 95% CI, 0.64–0.97. b mOS did not reach the prespecified threshold of statistical significance of P = 0.0173. m, median.
Exploratory analysis of responders from the phase 3 EV-302 trial of enfortumab vedotin plus pembrolizumab (EV+P) vs chemotherapy (chemo) in previously untreated locally advanced or metastatic urothelial carcinoma (la/mUC).
2025-05-28

4502 Background: EV-302/KEYNOTE-A39 (NCT04223856) showed significant PFS and OS benefits for pts with previously untreated la/mUC treated with EV+P vs chemo, which established EV+P as the SOC in this population. This exploratory analysis presents efficacy and safety results for responders, focusing on pts with confirmed complete response (cCR). Methods: Pts were randomized 1:1 to receive EV (1.25 mg/kg; Days 1 and 8; IV) + P (200 mg; Day 1; IV) or chemo (gemcitabine + cisplatin/carboplatin); all Q3W. Primary endpoints were PFS by BICR and OS. Secondary endpoints included ORR, DOR, and safety. An exploratory analysis evaluated outcomes in pts with cCR. A genAI tool (01/09/25; Pfizer; GPT-4o) developed the 1 st draft; authors assume content responsibility. Results: Median follow-up (data cutoff: Aug 8, 2024) was 29.1 mo (95% CI, 28.5-29.9). 886 pts were randomized to EV+P (n = 442) vs chemo (n = 444). Confirmed ORR (CR+PR) was 67.5% with EV+P and 44.2% with chemo; cCR was 30.4% and 14.5%, respectively. Baseline characteristics of responders were generally consistent with the ITT population. Among pts with cCR in the EV+P arm, 38 (28.6%) had upper tract disease and 20 (15%) had liver metastases. For pts with cCR, mPFS by BICR was not reached (NR) with EV+P and 26.9 mo with chemo (HR, 0.36; 95% CI, 0.21-0.61); mOS was NR with both EV+P and chemo (HR, 0.37; 95% CI, 0.17-0.80). Median duration of CR was NR for EV+P and 15.2 mo for chemo. Efficacy data are in the Table. Among pts with cCR in the EV+P arm, the median number of cycles was 13 (range, 1-50) for EV and 27 (range, 1-35) for P; median treatment (tx) duration was 22.0 mo (range, 0.7-35.4). Safety among responders was generally consistent with previous reports. TRAEs leading to dose modification in pts with cCR are in the Table. Grade ≥3 TRAEs occurred in 61.7% and 71.9% of pts with cCR in the EV+P and chemo arms, respectively. EV tx-related AESIs and P tx-emergent AEOSI profiles were generally consistent with previous reports. There were no tx-related deaths among pts with cCR. Conclusions: In the EV+P arm, the proportion of pts achieving cCR was twice that in the chemo arm. Consistent with the ITT data, EV+P reduced the risk of progression or death vs chemo in pts achieving cCR, with appropriate dose modifications. These data reinforce EV+P as the SOC for 1L tx of pts with la/mUC. Clinical trial information: NCT04223856 . EV+PcCR: n=133 ChemocCR: n=64 Median PFS, mo (95% CI) NR (NE-NE) 26.9 (16.6-NE) 24-mo PFS rate, % (95% CI) 78.2 (69.8-84.6) 53.7 (40.0-65.5) Median OS, mo (95% CI) NR (39.3-NE) NR (32.1-NE) 24-mo OS rate, % (95% CI) 95.4 (90.0-97.9) 85.8 (74.6-92.4) Median DOCR, mo (95% CI) NR (NE-NE) 15.2 (10.3-NE) 24-mo cCR rate, % (95% CI) 74.3 (65.1-81.4) 43.2 (28.7-56.9) TRAEs leading to dose modification (n, %)Dose interruption of EVDose reduction of EVDose interruption of P 94 (70.7)86 (64.7)86 (64.7) ---
Uncovering the Early-Stage Intercalation Mechanism in Graphite-Based Anode Materials
2025-05-28

Graphite and graphite derivatives, the standard anode materials for Li-ion batteries, are also of great interest for post-Li-ion technologies, such as potassium-ion batteries. However, certain aspects of the intercalation process in these systems, as well as the resulting consequences, still require a deeper understanding. In particular, the first steps of K intercalation in graphitic systems, i.e., at low concentrations, are fundamentally different from the case of Li. Herein, we use density functional theory to elucidate the early-stage intercalation of K in graphitic materials by seeking comparison to the behavior of Li and Na. Our results show the crucial role of the competition between the interlayer van der Waals interaction and the alkali metal-carbon bond formation for the initial stages of intercalation of large alkali metal atoms. As a consequence, and in contrast to the case of Li, K intercalation becomes energetically unfavorable at low concentrations. This is a significant finding, which can explain the origin of the differences observed for Li and K intercalation in graphitic materials. Hence, we identify the first steps of K intercalation as potential reasons for performance loss and battery failure and show that heteroatom doping can open pathways for solving these issues.