bluuebunny/crossref_metadata_2025_split huggingface dataset:
Leveraging Ligand Desymmetrization to Enrich Structural Diversity of Zirconium Metal–Organic Frameworks for Toxic Chemical Adsorption
Authors: Chen Yongwei , Xie Haomiao , Wang Xingjie , Sha Fanrui , Kirlikovali Kent O. , Wang Xiaoliang , Ye Zi‐Ming , Tang Xianhui , Zhang Chenghui , Peterson Gregory W. , Li Zhibo , Farha Omar K. 
Published: November 2024

AbstractThe discovery of metal–organic frameworks (MOFs) with novel structures provides significant opportunities for developing porous solids with new properties and enriching the structural diversity of functional materials for various applications. The rational design of building units with specific geometric conformations is essential to direct the construction of MOFs with unique properties. Herein, we leverage a ligand desymmetrization approach to construct a series of new MOFs. A flexible tetratopic carboxylate ligand with a tetrahedral geometry was designed and assembled with a Zr6 cluster, generating four Zr‐based MOF structures: NU‐2600, NU‐2700, NU‐2800, and NU‐1802, in which the ligand configurations and Zr6 cluster connectivities can be controlled by varying solvents and modulators during synthesis. Except for NU‐1802, these represent entirely new topologies. Notably, NU‐1802 exhibits structural flexibility, with up to a 74 % reduction in the unit cell volume as confirmed by single‐crystal X‐ray diffraction studies. Given their microporous structures, we studied the adsorption behaviors of n‐hexane and 2‐chloroethyl ethyl sulfide to explore the structure–property relationships of these MOFs. Overall, this work highlights ligand desymmetrization as a powerful method to enrich MOF structural diversity and access complex MOFs with non‐default topologies suitable for applications such as toxic gas capture.
2D/2D Hydrogen‐Bonded Organic Frameworks/Covalent Organic Frameworks S‐Scheme Heterojunctions for Photocatalytic Hydrogen Evolution
Authors: Gao Ruiqi , Shen Rongchen , Huang Can , Huang Kaihui , Liang Guijie , Zhang Peng , Li Xin 
Published: November 2024

AbstractHydrogen‐bonded organic frameworks (HOFs) demonstrate significant potential for application in photocatalysis. However, the low efficiency of electron‐hole separation and limited stability inhibit their practical utilization in photocatalytic hydrogen evolution from water splitting. Herein, the novel dual‐pyrene‐base supramolecular HOF/COF 2D/2D S‐scheme heterojunction between HOF‐H4TBAPy (Py‐HOF, H4TBAPy represents the 1,3,6,8‐tetrakis (p‐benzoic acid) pyrene) and Py‐COF was successfully established using a rapid self‐assembly solution dispersion method. Experimental and theoretical investigations confirm that the size‐matching of two crystalline porous materials enables the integrated heterostructure material with abundant surface reaction sites, strong interaction, and an enhanced S‐scheme built‐in electric field, thus significantly improving the efficiency of photogenerated charge carrier separation and stability. Notably, the optimal HOF/COF heterojunction achieves a photocatalytic hydrogen evolution rate of 390.68 mmol g−1 h−1, which is 2.28 times higher than that of pure Py‐HOF and 9.24 times higher than that of pure COF. These findings precisely acquire valuable atomic‐scale insights into the ingenious design of dual‐pyrene‐based S‐scheme heterojunction. This work presents an innovative perspective for forming supramolecular S‐scheme heterojunctions over HOF‐based semiconductors, offering a protocol for designing the powerful and strong‐coupling S‐scheme built‐in electric fields for efficient solar energy utilization.
Solvent‐Dependent Sequence‐Controlled Copolymerization of Lactones: Tailoring Material Properties from Robust Plastics to Tough Elastomers
Authors: Weng Chaoqun , Li Xiao , Tang Xiaoyan 
Published: November 2024

AbstractCopolymerization stands as a versatile and potent method for tailoring polymer properties by adjusting structural unit composition and sequence distribution. However, achieving sequence‐controlled copolymerization in a one‐step and one‐pot process remains challenging. This study introduces a solvent‐dependent sequence‐controlled copolymerization strategy to produce block and statistical copolyesters from 4‐phenyl‐2‐oxabicyclo[2.1.1]hexan‐3‐one (4Ph‐BL) and ϵ‐caprolactone (ϵ‐CL). The distinct kinetics of the two monomers enable the facile synthesis of diblock and triblock copolyesters, PCL‐b‐P(4Ph‐BL) and P(4Ph‐BL)‐b‐PCL‐b‐P(4Ph‐BL), in non‐coordinating solvents, such as dichloromethane and toluene. Conversely, coordinating solvents like tetrahydrofuran, 2‐methyltetrahydrofuran, 2,5‐dimethyltetrahydrofuran, 1,4‐dioxane, and 1,2‐dimethoxyethane facilitate frequent transesterifications, yielding statistical copolyesters P[CL‐stat‐(4Ph‐BL)] with varying ratios of heterosequences. Density functional theory (DFT) calculations confirmed that coordinating solvents stabilize the transition state for transesterification, thereby validating their role in triggering this process. By varying the microstructures and compositions, the resultant copolyesters display tunable thermal and mechanical properties, evolving from robust plastics with an ultimate tensile strength of up to 46.3±3.1 MPa to tough elastomers with >99.3 % elastic recovery. All the copolyesters exhibit remarkable thermal stability (Td,5%=376 °C) and maintain desirable chemical circularity (>92 %), supporting a closed‐loop life cycle for sustainable material economy.
Tertiary nitrogen carbonization and imine cross‐linking facilitated solid‐phase flame retardant for anti‐dripping PA6 fiber
Authors: Zhai Gongxun , Zhou Jialiang , Li Lili , Yu Senlong , Hu Zexu , Xiang Hengxue , Zhu Meifang 
Published: November 2024

AbstractA developing society requires polycaprolactam (PA6) fibers with flame retardant. Currently, the additive flame retardants commonly used in PA6 fibers cannot solve the molten droplet problem. In this work, (1E,1′ E)‐N,N′‐(6‐phenyl‐1,3,5‐triazine‐2,4‐diyl)bis(1‐(4‐methoxyphenyl) methanimine) (NBM) with triazine ring structure was synthesized. The triazine ring structure was used to expand into carbon and benzoguanimine structure to produce irreversible chemical crosslinking in NBM, thereby achieving anti‐dripping and flame retardant of PA6 fiber. LOI of PA6/NBM8 reaches 30.0 vol.%, UL‐94 reaches V‐0 when the NBM addition amount is 8 wt.%, meanwhile, the residual carbon content is 235.7% higher than that of PA6. The mechanical strength can still reach to 3.22 cN/dTex. From structural design to synthesis, the effects of NBM addition on the flame retardants, rheology, thermal stability and residual carbon morphology of PA6/NBMx were analyzed in detail in this work. It is hoped that in the future work, the structural characteristics and performance requirements can be matched to provide reference for conception and synthesis of flame retardants oriented to other polymers.
Interdecadal change in the relationship between the Antarctic oscillation and autumn rainfall in the Yunnan–Guizhou plateau of Southwest China
Authors: Li Yusen , Zhao Yong , Meng Lixia 
Published: November 2024

AbstractThe interdecadal change in the relationship between the Antarctic Oscillation (AAO) and autumn rainfall in the Yunnan–Guizhou Plateau of Southwest China is investigated by using the observed autumn rainfall data at 119 stations and the National Centers for Environment Prediction/National Center for Atmospheric Research reanalysis data for the period 1961–2021. Results show the AAO correlates well with the autumn rainfall in the Yunnan–Guizhou Plateau for the second period (2002–2021) because the AAO becomes stronger. The possible influencing mechanism of AAO on autumn rainfall in the Yunnan–Guizhou Plateau during 2002–2021 is related to the meridional teleconnection pattern and associated convection over the Philippine Sea. The positive AAO can trigger a meridional teleconnection pattern in the upper troposphere to propagate from the southern Pacific to northern Pacific and cause anomalous westerly over the tropical west Pacific, which inhibits the convection over the Philippine Sea. On the one hand, the weakened convection over the Philippine Sea causes the anomalous ascending motion over the Yunnan–Guizhou Plateau; on the other hand, it results in an anomalous anticyclone over the tropical Northwest Pacific and strengthens the transport of water vapor from the tropical Pacific to the Yunnan–Guizhou Plateau.
GABA and glutamate measurements in temporal cortex of autistic children
Authors: Saleh Muhammad G. , Bloy Luke , Blaskey Lisa , Roberts Timothy P. L. 
Published: November 2024

AbstractAutism spectrum disorder (ASD) is a neurodevelopmental disorder and presents with challenges in social communication. A hypothesized underlying contributing mechanism is the imbalance in excitation and inhibition (E/I), partly influenced by the levels of excitatory neurotransmitter glutamate (Glu) and inhibitory neurotransmitter γ‐aminobutyric acid (GABA) in the brain. Although many have reported the levels of GABA and Glu in the brain, only a few reports address the temporal cortex and then only with a small sample of autistic children, and often only in one hemisphere. We used a macromolecular suppressed edited‐magnetic resonance spectroscopy (MRS) sequence to study GABA and Glu (as potential key players influencing E/I) in a large sample of children with ASD in the right and left temporal cortices of children with (N = 56) and without (N = 30) ASD (7–18 years). As a group, children with ASD exhibited no differences in the left hemisphere (GABA and Glu Cohen's |d|: 0.24 and 0.03), but the right hemisphere showed higher GABA and lower Glu concentrations (GABA and Glu Cohen's |d|: 0.53 and 0.65) compared to neurotypicals. Furthermore, a negative association was found between the right hemisphere Glu levels of the ASD group and a clinical assessment tool (r = −0.361, p = 0.022), reflecting autism trait severity (social responsiveness scale). In conclusion, we highlight the chemical abnormalities in children with ASD through a cross‐sectional measurement. Longitudinal studies are warranted to determine whether these chemical levels persist or resolve over development.
Nachweis der Rückbindung von CO2 in Kalksandstein durch Rekarbonatisierung
Authors: Walther Hartmut B. 
Published: November 2024

AbstractKalksandstein wird unter Verwendung von Branntkalk hergestellt. Das Material nimmt im verbauten Zustand im Kontakt mit Luft wenigstens 3 % seines Eigengewichts an CO2 auf und lagert dieses dauerhaft in der Struktur ein. Eine analoge Menge CO2 wurde zuvor bei der Branntkalkherstellung freigesetzt. Ihre Wiederaufnahme wird als Rekarbonatisierung bezeichnet. Der vorliegende Aufsatz basiert auf der Untersuchung von etwa 2 t Mauerwerk und belegt diese CO2‐Aufnahme. Die vorgelegten Daten lassen den Schluss zu, dass Kalksandstein im Kontakt mit Luft üblicherweise innerhalb von 50 bis 60 Jahren rekarbonatisiert. Da die Lebensdauer von Massivgebäuden i. d. R. 60 Jahre deutlich überschreitet, erscheint die vereinfachte Annahme einer 95%‐igen Rekarbonatisierung zum Ende der Nutzungsphase angemessen. Die genaue Höhe der CO2‐Rückbindung hängt von den Rohstoffen und ihren Einsatzmengen ab und kann in Ökobilanzen unmittelbar berücksichtigt werden. In EPDs wird die rückgebundene Menge CO2 in der Gebrauchsphase B1 angegeben. Putze, Platten, Beschichtungen u. Ä. beeinflussen die Rekarbonatisierung von Wandbaustoffen und sind im LCA für Konstruktionen mit Kalksandstein zu berücksichtigen.
Experimental and Computational Analysis of Slurry‐Based Manufacturing of Solid‐State Battery Composite Cathode
Authors: Alabdali Mohammed , Zanotto Franco M. , Notredame Benoît , Viallet Virginie , Seznec Vincent , Franco Alejandro A. 
Published: November 2024

AbstractThe rheological properties of the slurry significantly influence the manufacturing process of solid‐state battery cathode electrodes, affecting coating quality and the resulting cathode microstructure. The correlation between slurry attributes and final electrode characteristics is analyzed using particle size and solid content as key metrics. We perform coarse‐grained molecular dynamics simulations of LiNi0.8Mn0.1Co0.1O2 and Li6PS5Cl composite electrodes, with simulated slurries closely fitting experimental viscosities, indicating the model's suitability for predicting slurry behavior. Then the microstructural properties of the dried and calendered electrodes are calibrated with in house experimental data. The simulation workflow is fitted completely using only two sets of force fields, one for the slurry and the other one for the dried state of the electrode. The effective electronic conductivities are contingent on the particle size, without showing significant limitation on cathode power capabilities. This comprehensive study highlights the intricate interplay between slurry solid content, microstructure design, and manufacturing processes in optimizing solid‐state battery cell performance. Consistent slurry characteristics are crucial for uniform electrode coating while optimizing particle size and solid content improves electrode porosity. These findings provide valuable insights for enhancing solid‐state battery electrode design and slurry‐based manufacturing processes for the adaptation of already established scaling up technologies.
Epidemiology of Coloboma: Prevalence and Patterns in Texas, 1999–2014
Authors: Mitchell Danielle L. , Chambers Tiffany M. , Agopian A. J. , Benjamin Renata H. , Shumate Charles J. , Slavotinek Anne , Hufnagel Robert B. , Brooks Brian P. , Mitchell Laura E. , Lupo Philip J. 
Published: November 2024

ABSTRACTBackgroundColoboma is a rare congenital malformation in which part of the tissue that makes up the eye is missing and may cause visual impairment or blindness. Little is known about the epidemiology of this condition. Therefore, we obtained data from the Texas Birth Defects Registry on children identified with coloboma for the period 1999–2014.MethodsUsing information on all live births from the same period, prevalence ratios (PRs) for selected demographic and clinical factors were used to estimate associations using Poisson regression among cases with coloboma. Coloboma cases were divided into subgroups to explore patterns of co‐occurring defects and syndromes. All variables significant in unadjusted models (p < 0.05) were included in multivariable models to evaluate adjusted PRs (aPRs).ResultsWe identified 1587 cases with coloboma, of whom 934 (58.8%) were nonsyndromic, and 474 (29.9%) were isolated. When considering all identified cases, factors associated with significant differences in prevalence included plurality (multiple vs. singleton aPR = 1.4, 95% CI: 1.1–1.8); maternal education (college or greater vs. less than high school aPR = 0.7, 95% CI: 0.6–0.9); maternal race/ethnicity (Hispanic vs. non‐Hispanic White aPR = 0.9, 95% CI: 0.8–1.0); and maternal diabetes (yes vs. no aPR = 1.3, 95% CI: 1.0–1.6). There was a notable increase in the birth prevalence of coloboma during the study period (p‐for‐trend < 0.001). Effect estimates were similar across the different subgroups.ConclusionIn our large population, we identified several factors associated with the prevalence of coloboma. These findings may help define subgroups of women more likely to have children affected by coloboma, which could inform improved screening efforts.
Rhynchophylline Alleviates Hyperactivity and Cognitive Flexibility Impairment Associated With Inhibition of Inflammatory Responses in Mice That Partly Lack the Dopamine Transporter Protein
Authors: Li Jijun , Chen Bojun , Li Zai‐wang , Wang Yi , Alberts Ian , Sun Kexing , Li Xiaohong 
Published: November 2024

ABSTRACTBackground and aimsRhynchophylline (RHY) can alleviate some cognitive flexibility impairment and stereotyped behavior for attention‐deficit hyperactivity disorder (ADHD) and Tourette syndrome (TS) patients as one of a key extract and an active ingredient in Ningdong granule (NDG), which is a Traditional Chinese medicine (TCM) preparation widely used in the treatment of ADHD and TS children in China; however, the underlying mechanism is not well understood. Therefore, this study aimed to evaluate how RHY alleviates hyperactivity and cognitive flexibility impairment while inhibiting inflammatory responses in mice that partly lack dopamine transporter protein (DAT− mice).MethodsMale DAT− mice were randomly divided into the RHY group (n = 8) and administered RHY (30 mg/kg) in the DAT− group (n = 8) and administered saline (i.p., 10 mL/kg) in wild‐type (WT) mice as the WT control group (n = 8). Hyperactivity and cognitive flexibility impairment were evaluated by the open field test (OFT) and the Morris water maze (MWM) test. The levels of the inflammatory factors of tumor necrosis factor‐α (TNF‐α) and interleukin‐1β (IL‐1β) in cortical homogenates were tested by enzyme‐linked immunosorbent assays (ELISA) after 8 weeks of treatment with RHY. In vitro, primary microglia and astrocytes extracted from the cortices of DAT− neonatal mice and WT neonatal mice were treated with lipopolysaccharide (LPS) (1 mg/mL) to induce neuroinflammatory responses and with RHY (20 mM) for 48 h. The levels of the inflammatory factors TNF‐α, IL‐1β, inducible nitric oxide synthase (iNOS), and cyclooxygenase‐2 (COX2) in the culture medium were measured at 6 h, 24 h, and 48 h after treatment with LPS and RHY.ResultsRHY ameliorated hyperactivity and cognitive flexibility impairment in DAT− mice and inhibited the expression of the inflammatory factors TNF‐α, IL‐1β, iNOS, and COX‐2 in microglia and astrocytes in vitro, and also inhibited the expression of TNF‐α and IL‐1β in cortical homogenates after 8 weeks of treatment.ConclusionRHY improved hyperactivity and cognitive flexibility impairment through inhibiting inflammatory responses in DAT− mice.
Applying circular business models in the Chilean construction sector: A system dynamics perspective
Authors: Véliz Karina D. , Pabón‐Pereira Claudia , Walters Jeffrey P. , Fernandez Javiera 
Published: November 2024

AbstractThe construction sector remains a significant contributor to global climate change, accounting for one‐third of global greenhouse gas emissions as well as a substantial portion of solid waste. In response to this pressing crisis, the adoption of circular business models (CBMs) emerges as a way to avoid negative environmental impacts. This study sought to model the interconnected factors influencing future CBM implementation in the Chilean construction industry using a system dynamics modeling approach. By engaging 20 sector experts in a system modeling workshop, it was possible to model and analyze these interconnected factors as a CBM System. The structural analysis of the resulting CBM system model revealed the triumvirate importance of information dissemination, certification of projects and products, and professional training and education. Recommendations for policy and practice that successfully leverage these mechanisms center on a three‐pronged approach of combining effective stakeholder collaboration, technological innovation, and thoughtful product certification frameworks. Overall, a systems thinking and modeling approach, such as the one applied here, is essential for identifying the complex interactions between enablers and barriers that promote or inhibit sustainable transformation in the construction industry in Chile and beyond.
Induction Chemotherapy‐Related Covert Cardiac Remodeling in Pre‐Autologous Hematopoietic Stem Cell Transplantation for Multiple Myeloma: A Retrospective Observational Study
Authors: Dai Chang , Lin Weidong , Liu Fangzhou , Chen Xin , Chen Yuhan , Jiang Yu , Bai Jiaojiao , Lv Yidong , Zheng Jianhong , Deng Hai , Du Xin , Wu Shulin , Xue Yumei 
Published: November 2024

ABSTRACTBackgroundAutologous hematopoietic stem cell transplantation (ASCT) has emerged as a cornerstone in multiple myeloma (MM) management, offering the prospect of prolonged disease control. However, the induction chemotherapy drugs required prior to ASCT carry cardiovascular toxicity (CVT), potentially leading to a range of cardiovascular complications.Methods and ResultsThis retrospective observational study, conducted at Guangdong Provincial People's Hospital from January 2020 to December 2023, analyzed 47 of the initial 173 patients who met the criteria. The cohort, comprising 22 males (46.81%) and 25 females (53.19%), had a mean age of 55.68 ± 11.38 years. They underwent various induction chemotherapy regimens, receiving a median of 5 (4–6) cycles of the course over an average duration of 7.10 ± 2.46 months. Before ASCT treatment following induction chemotherapy, echocardiographic findings indicated reductions in left ventricular end‐systolic dimension, right atrial diameter, E‐wave velocity, E/e' ratio, and the E/A ratio. The latter altered from a pretreatment value greater than 1 to posttreatment less than 1, marking diastolic dysfunction emergence or aggravation in 51.06% of patients. The electrocardiographic data indicate a reduced heart rate and prolonged P‐wave duration and P‐R duration, with an increase in arrhythmia incidence to 19.15% following induction chemotherapy.ConclusionInduction chemotherapy, administered prior to ASCT in patients with MM, can lead to the emergence or aggravation of cardiac diastolic dysfunction and increase the incidence of arrhythmic events. Therefore, it is crucial to emphasize the importance of balancing the benefits and risks of induction chemotherapy to maximize its efficacy while minimizing CVT.
Phase 2 Trial of Enfortumab Vedotin in Patients With Previously Treated Locally Advanced or Metastatic Urothelial Carcinoma in China
Authors: Li Siming , Shi Yanxia , Dong Haiying , Guo Hongqian , Xie Yu , Sun Zhongquan , Zhang Xiaoping , Kim Eric , Zhang Jun , Li Yue , Xu Chenming , Kadeerbai Haishan , Lee Sue , Gorla Seema , Guo Jun , Sheng Xinan 
Published: November 2024

ABSTRACTBackgroundEnfortumab vedotin, a fully human monoclonal antibody–drug conjugate (ADC) directed to Nectin‐4, prolonged overall survival (OS) versus standard chemotherapy in patients with previously treated locally advanced or metastatic urothelial carcinoma (mUC) previously receiving a programmed cell death protein 1/ligand 1 (PD‐1/L1) inhibitor and platinum‐based chemotherapy in the pivotal, phase 3 EV‐301 clinical trial, supporting global approvals of enfortumab vedotin monotherapy. This bridging study was the first to evaluate enfortumab vedotin monotherapy in previously treated Chinese patients with locally advanced or mUC.MethodsEV‐203 was a multicenter, open‐label, phase 2 study (NCT04995419) assessing efficacy, safety/tolerability, pharmacokinetics (PK), and immunogenicity of enfortumab vedotin in 40 Chinese patients (PK analysis set, n = 13) with previously treated locally advanced or mUC. Patients received enfortumab vedotin 1.25 mg/kg (Days 1, 8, and 15). Primary endpoints included confirmed objective response rate (ORR) by the independent review committee (IRC) and PK parameters of ADC, total antibody (TAb), and free monomethyl auristatin E (MMAE). Secondary endpoints included investigator‐assessed confirmed ORR; investigator‐/IRC‐assessed duration of response (DOR), disease control rate (DCR), and progression‐free survival (PFS); OS; immunogenicity; and safety/tolerability.ResultsAs of May 13, 2022, the median follow‐up was 6.5 months. Confirmed ORR was 37.5% (n/N = 15/40; 95% CI: 22.7%–54.2%) by IRC and 42.5% (n/N = 17/40; 95% CI: 27.0%–59.1%) by investigator assessment. By IRC, DCR was 72.5% (n = 29), median DOR was not reached, and median PFS was 4.7 months. Median OS was not reached. Endpoints assessed by investigators were consistent with IRC assessments. Two patients discontinued treatment for treatment‐related adverse events. No new safety signals were identified. ADC, TAb, and free MMAE were characterized in Chinese patients and consistent with previously characterized populations. The incidence of positive antitherapeutic antibodies postbaseline was 0%.ConclusionEnfortumab vedotin demonstrated meaningful clinical activity with a manageable safety profile in Chinese patients with previously treated locally advanced or mUC.Trial RegistrationClinicalTrials.gov identifier: NCT04995419