bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemodivergent Phototransformations of Green Fluorescent Protein Related Chromophores: Wavelength‐Dependent Photodimerization and Spirocyclization
Authors: Opryshko Victoria E. , Ivanov Dmitrii S. , Danshina Anastasia A. , Krasnova Svetlana A. , Eshtukov‐Shcheglov Artur V. , Mikhaylov Andrey A. , Smirnov Alexander Yu. , Baranov Mikhail S.
Published: November 2024

Benzylidene imidazolones with an ortho‐sec‐amino group undergo chemodivergent photochemical transformations, based on the wavelength of irradiation. Irradiation at 525 nm causes dimerization and the formation of cyclobutanes with two spiroatoms, related to dictazoles in 87–98% yield. In turn, irradiation at 365 nm provides access to spirocyclic indolines in 67–92% yield. Each of the processes proceeds with exclusive atom economy and chemoselectivity.
Asymmetric Transfer Hydrogenation of 3‐Substituted 2H‐1,4‐Benzoxazines under Tethered Cp*Rh(III)‐Diamine Catalysis with Unexpected Reversal of Enantioselectivity
Authors: Li Xiaohan , Yang Ji , He Zhenni , Huang Wei , Yang Jianbo , Li Huanrong , Xu Lijin , Shi Qian
Published: November 2024

The asymmetric transfer hydrogenation of 3‐substituted 2H‐1,4‐benzoxazines with an azeotropic mixture of HCO2H/NEt3 (5/2) using tethered Cp*Rh(III)‐diamine catalysis has been realized. This process allows access to a broad range of chiral 3,4‐dihydro‐2H‐1,4‐benzoxazines in high yields with up to 99% ee, and tolerates a variety of functional groups. The enantiocontrol is achieved by the judicious choice of catalyst and hydrogen source. This reaction proceeds with unexpected reversal of enantioselectivity, which is attributed to the acidic reaction conditions and the hydrogen bond between the N−H of the rhodium species and the O atom in the substrate.
Stereoconvergent Access to Z‐Allylborons from E/Z‐Mixed 1,3‐Dienes via Cu‐Guanidine Catalysis
Authors: Zhang Ai , Zhang Huangfeng , Jin Tao , Ge Lin , Ma Xiaoyan , Tang Jinghua , Liu Jinyu , Tan Choon‐Hong , Lee Richmond , Ge Yicen
Published: November 2024

Merging the stereoisomeric mixture of substrate into a single product through stereospecific transformation is a challenging but higher‐order synthetic strategy, which perfectly meets the demand of cost control in the precise chemical production. In this work, the stereoconvergent synthesis of Z‐allylic boronates was realized with protoborylation of E/Z‐mixed 1,3‐dienes catalyzed by a novel copper‐guanidine complex. The reaction could proceed smoothly under very mild conditions with good functional group tolerance, and convert diverse aryl‐substituted 1,3‐dienes into the desired Z‐1,4‐addition products with excellent chemo‐, regio‐, and stereoselectivities in minutes. Detailed mechanistic studies also helped to disclose the origin of stereoconvergency. Both E‐ and Z‐diene were found directly undergoing a rapid borylation without E/Z isomerization of C=C bond, followed by a convergent formation of the same thermodynamically stable allylcopper intermediate before the slow protonation step occurred.
Activation of Hidden Catalytic Sites in 2D Basal Plane via p–n Heterojunction Interface Engineering Toward Efficient Oxygen Evolution Reaction
Authors: Kim Eugene , Kim Sungsoon , Kim Yongchul , Hamkins Kiran , Baek Jihyun , Kim MinJoong , Liu Tae‐Kyung , Choi Young Moon , Lee Jung Hwan , Jang Gyu Yong , Lee Kug‐Seung , Lee Geunsik , Zheng Xiaolin , Park Jong Hyeok
Published: November 2024

Nonprecious metal‐based 2D materials have shown promising electrocatalytic activity toward the oxygen evolution reaction (OER). However, the catalytically active sites of 2D materials are mainly presented at the edge, and most of their basal planes are still catalytically inactive, which turns into a significant drawback on the catalytic efficiency. Here, a novel p–n heterojunction strategy is suggested that generates active sites on the basal plane of 2D NiFe‐layered double hydroxide (NiFe‐LDH). The n‐type NiFe‐LDH is first grown on a nickel foam (NF) substrate, and p‐type Co3O4 nanocubes are deposited through a simple dip‐coating method to fabricate a Co3O4/NiFe‐LDH@NF p–n heterojunction electrode. As a result, electron transfer is induced at the interface of p‐type Co3O4 and n‐type NiFe‐LDH, which consequently promotes oxidation of the inert Ni2+ state to a more catalytically active Ni3+ state on the inert basal plane of NiFe‐LDH. As‐prepared Co3O4/NiFe‐LDH@NF electrodes obtained enhanced OER performance showing a high current density of 100 mA cm−2 at 1.48 V (vs RHE) which outperforms that of pristine NiFe‐LDH@NF. The utilization of the p–n junction concept will disclose a new strategy for modifying the electronic structure of the catalytically inactive basal plane and stimulating its electrocatalytic activity.
Updated risk prediction model for pancreaticoduodenectomy using data from the National Clinical Database in Japan
Authors: Mizuma Masamichi , Endo Hideki , Yamamoto Hiroyuki , Shimura Mitsuhiro , Iseki Masahiro , Unno Michiaki , Oshikiri Taro , Kakeji Yoshihiro , Shirabe Ken
Published: November 2024

Aim

Risk prediction models for mortality, severe postoperative complications, and postoperative pancreatic fistula in patients undergoing pancreaticoduodenectomy were established using data from the National Clinical Database more than a decade ago, and the surgical outcomes of pancreaticoduodenectomy have improved over the years. The aim of this study is to update the risk prediction model for pancreaticoduodenectomy using National Clinical Database data.

Methods

Between 2019 and 2021, the data of 35 365 patients who underwent pancreaticoduodenectomy and who were registered in the National Clinical Database were retrospectively analyzed. According to the registration year, the patients were divided into two cohorts: the development cohort (2019–2020; n = 23 654) and the validation cohort (2021; n = 11 711). Logistic regression analyses were performed to create risk models for surgical mortality, severe postoperative complications, and grade C postoperative pancreatic fistula.

Results

Overall, the rates of surgical mortality, severe postoperative complications, and grade C postoperative pancreatic fistula were 1.8%, 2.2%, and 1.3%, respectively. Logistic regression analyses revealed 28, 28, and 14 risk factors for surgical mortality, severe postoperative complications, and grade C postoperative pancreatic fistula, respectively. The area under the receiver operating characteristic curve of the risk model in the development cohort was 0.759 for surgical mortality, 0.712 for severe complications, and 0.699 for postoperative pancreatic fistula, comparable to the validation cohort. The calibration plots were favorable in both cohorts.

Conclusion

The updated risk model for pancreaticoduodenectomy will be useful to predict surgical mortality, severe postoperative complications, and grade C postoperative pancreatic fistula.
Emergent Dynamic Formation through Optical Interactions in a Robot Swarm
Authors: Qin Xiaoyang , Yang Yongliang , Qiu Yongtao , Pan Mengyun , Hou Jing , Liu Lianqing
Published: November 2024

Self‐organized formation is a key direction in swarm robotics. It is still challenging to design local interactions toward desired global formations and even more challenging for dynamic formations in a physical robot swarm system. Herein, a self‐organized method for emergent dynamic circling formation in a robot swarm through optical interactions is proposed. First, this method is quantitatively modeled based on the geometrical relations among robots. This model is further adjusted according to the characteristics of the robot swarm system. To demonstrate the effectiveness of this model, the effects of three key parameters of this model are tested on the size and disorder level of the emergent dynamic circling formation. The experimental results are consistent with the model predictions. Overall, a robot swarm system, in the physical environment, is quantitatively controlled to emerge a dynamic circling formation in this article. This work advances the swarm robotics for quantitatively designing local interactions among robots to reliably emerge dynamic global patterns.
Is Alcohol Consumption Pattern Dependent on Prenatal Sex‐Steroids? A Digit Ratio (2D:4D) Study Among University Students
Authors: Ślawski Barbara , Kasielska‐Trojan Anna , Manning John T. , Antoszewski Bogusław
Published: November 2024

Introduction

There is evidence that alcohol consumption is influenced by prenatal sex steroids (as measured by digit ratio [2D:4D]). Here, we clarify the effect size of the relationship in a student (rather than a patient) population.

Methods

There were 258 (169 women) participants. Digit length was measured directly with calipers. Alcohol use was evaluated by the Polish version of Alcohol Use Disorders Identification Test (AUDIT) and operationalized as total AUDIT scores and grams of alcohol/week.

Results

Digit ratios were sexually dimorphic (males < females). There were negative correlations between right 2D:4D and Dr‐l (right 2D:4D minus left 2D:4D) and AUDIT scores and grams of alcohol/week in both sexes. Relationships varied from small (r = −0.29) to large (r = −0.69) and they were stronger in males in comparison to females and for right 2D:4D in comparison to Dr‐l. In males only, there were small (r = 0.21) to moderate (r = 0.31) positive associations with body size (height, weight, and mean right digit length) and alcohol consumption. Multiple regression analyses showed relationships between digit ratios remained significant but those for body size did not.

Conclusion

Alcohol consumption was negatively related to 2D:4D, suggesting high prenatal testosterone and low prenatal estrogen are linked to its consumption. Correlations varied in strength from small to large with the strongest found for right 2D:4D and for males. Positive relationships between body size and alcohol were small to moderate, confined to males, and were not independent of digit ratios. Prenatal androgenization may influence alcohol drinking patterns in non‐clinical individuals.
Stable Isotopes Analysis of Black Lion Tamarins Reveals Increasing Arthropod Consumption When Fruit Productivity Decreases in Forest Fragments
Authors: Raskin Amazone , Kaisin Olivier , Michel Loïc N. , Lejeune Benjamin , Lepoint Gilles , Amaral Rodrigo Gonçalves , Bufalo Felipe , Sabino Gabriel Pavan , Araújo Márcio Silva , Rezende Gabriela Cabral , Brotcorne Fany , Culot Laurence
Published: November 2024

Given the cryptic and elusive nature of prey consumption, quantifying its contribution to the diet of free‐ranging primates using behavioral methods is challenging. In this context, the use of carbon and nitrogen‐stable isotopes represents a promising alternative approach. Here, we used stable isotope analysis to estimate the proportion of arthropods and fruits in the diet of black lion tamarins (Leontopithecus chrysopygus), an endangered primate endemic to the Brazilian Atlantic Forest. To do so, we ran stable isotope mixing models using isotopic data from hair samples of black lion tamarins living in six forest fragments showing different levels of habitat quality. Furthermore, we ran linear mixed models to assess the influence of habitat quality—fruit productivity (estimated by tree total basal area) and arthropod biomass – and individual characteristics (sex and body mass) on tamarins' δ15N values (a proxy for trophic position). Our results revealed that arthropods contributed more to black lion tamarins' diet than reported in previous behavioral studies, suggesting that behavioral observations may considerably underestimate the importance of arthropodivory in the diet of arboreal primates. The degree of arthropodivory and frugivory was similar within groups, in line with the strong group cohesion and synchronization of feeding behaviors of this species and supporting the role of site‐specific habitat characteristics on dietary choice. Arthropod consumption was higher in areas with lower fruit productivity and did not increase when arthropod biomass increased, suggesting that fruits represent a limiting but preferred resource for this species. These results demonstrate the dietary plasticity of black lion tamarins in areas of lower forest quality, where they manage to compensate low fruit productivity by shifting to a diet richer in arthropods. Considering that this species occurs within a highly fragmented landscape, preserving and protecting small forest patches remains crucial for the conservation of this species.
Geregelter Ladungstransfer in metallorganischen Donor‐Akzeptor‐Gerüstverbindungen für hochempfindliche Photodetektoren
Authors: Xu Zhiyun , Chandresh Abhinav , Mauri Anna , Esmaeilpour Meysam , Monnier Vincent , Odobel Fabrice , Heinke Lars , Wenzel Wolfgang , Kozlowska Mariana , Diring Stéphane , Haldar Ritesh , Wöll Christof
Published: November 2024

Bei der photoinduzierten Ladungstrennung sind organische Dünnschichten mit Donor‐ und Akzeptor‐Chromophoren für Anwendungen wie künstliche Photosynthese und Photodetektion von entscheidender Bedeutung. Eine der größten Herausforderungen ist die Optimierung der Ladungstrennungseffizienz und die Bestimmung des optimalen Akzeptor/Donor‐Verhältnisses. Dies ist aufgrund der Variabilität der molekularen Packung in diesen typischerweise amorphen organischen Aggregaten nur schwer zu erreichen. Metallorganische Gerüstverbindungen (MOFs) bieten einen rationalen Ansatz, indem sie die systematische Herstellung von Donor/Akzeptor‐Mischungen mit einstellbaren Verhältnissen innerhalb eines kristallinen Gitters ermöglichen. Wir demonstrieren diesen Ansatz, indem wir Naphthalindiimid (NDI)‐Donor‐ und Akzeptor‐Chromophore als Linker in eine hoch orientierte, monolithische MOF‐Dünnschicht einbauen. Durch die Anpassung der NDI‐Akzeptor‐Linkerkonzentration während der Schicht‐für‐Schicht‐Synthese der oberflächenmontierten MOF‐Dünnschichten (SURMOFs) konnten wir die Effizienz der Ladungstrennung erheblich steigern. Überraschenderweise lag die optimale Akzeptorkonzentration bei nur 3 %, womit eine vierzigfache Steigerung in der Effizienz der Photodetektion im Vergleich zu rein NDI‐Donor‐basierten SURMOFs erreicht wurde. Dieses unerwartete Verhalten wurde durch eine theoretische Analyse erklärt, die durch die gut definierte kristalline Struktur der SURMOFs ermöglicht wurde. Mit Hilfe der Dichtefunktionaltheorie und kinetischer Monte‐Carlo‐Simulationen konnten wir zwei gegensätzliche durch Akzeptoren bewirkte Effekte feststellen: Dem positive Effekt der Unterdrückung einer unerwünschten Rekombination von Ladungsträgern wirkt bei hohen Konzentrationen eine Verringerung der Ladungsträgermobilität entgegen.
Upcycling Iron Oxide Scale Slag into a High‐Performance, Sustainable Ozone Catalyst
Authors: Du Qing , Fang Yanfen , Lan Xing , Gu Cheng , Huang Di , Shen Zhou , Zhu Zhi , Chen Chuncheng , Yan Yan
Published: November 2024

Upcycling iron slag into a monolithic catalyst has led to low‐cost heterogeneous catalytic ozonation (HCO) strategies for water treatment. The primary industrial challenges are the low chemical oxygen demand (COD) reduction rate in treating authentic wastewater and difficulties sustaining close‐loop reaction cycles. In this study, we present a monolithic catalyst transformed from low‐cost iron oxide scale slag (IOSM) for highly efficient, sustainable ozone catalysis. The IOSM, constituted of 59.70 % Fe2O3 and 40.30 % Fe3O4, effectively decomposes ozone into superoxide radicals (⋅O2−) through a close‐loop cyclic reaction facilitated by interfacial charge transfer. This mechanism enables super‐fast degradation of 100 mg L−1 tetracycline at ozone concentrations below 1.00 mg L−1 in just four minutes, with the iron leaching merely at 59 μg L−1 after 10 cycles. In tests with authentic antibiotic wastewater, the IOSM‐based HCO system achieves a record‐breaking 81.70 % COD reduction within two hours. This research underscores the potential of upcycling industrial waste into highly effective ozone catalysts for sustainable practices in wastewater treatment.
Interfacial Proton Precompensation: Suppressing Deprotonation‐Driven Lattice Collapse for Enhanced Efficiency and Stability in Perovskite Solar Cells
Authors: Xu Bingying , Liu Guozhen , Wang Pengfei , Li Wenzhe , Ying Zhehan , Liu Jing , Shi Yantao
Published: November 2024

The chemical property of the buried interface plays a crucial role in improving the performance and stability of perovskite solar cells (PSCs). The SnO2/perovskite interface prepared from SnO2 alkaline hydrogel with high proton affinity triggers directional migration and irreversible reactions of protons, exacerbating the disintegration of perovskite crystal. In this study, we proposed proton precompensation strategy to suppress the deprotonation effect of the buried interface and improve the durability of the devices. By modulating the chemical environment and surface energy state of the buried interface, the domain‐limiting and spontaneous compensation of protons in formamidinium (FA+) under coulomb force were achieved, thereby stabilizing the perovskite crystal structure. The stability of target perovskite films under UV illumination and heating at 85 °C was significantly enhanced. As a result, the devices can retain around 90 % of their initial power conversion efficiency (PCE) after 1000 h of continuous irradiation at the maximum power point (MPP). Moreover, due to the reduction of defect content at the buried interface and the improvement of conductivity and carrier mobility by the precompensation treatment, the interfacial energy loss and non‐radiative recombination were substantially diminished. The target PSC devices exhibited much higher PCE of 25.55 % than the control devices (23.03 %).
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

The 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

Hydrogen‐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

Copolymerization 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

A 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

The 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

Autism 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

Kalksandstein 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

The 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

Background

Coloboma 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.

Methods

Using 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).

Results

We 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.

Conclusion

In 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

Background and aims

Rhynchophylline (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).

Methods

Male 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.

Results

RHY 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.

Conclusion

RHY 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

The 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

Background

Autologous 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 Results

This 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.

Conclusion

Induction 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

Background

Enfortumab 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.

Methods

EV‐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.

Results

As 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%.

Conclusion

Enfortumab vedotin demonstrated meaningful clinical activity with a manageable safety profile in Chinese patients with previously treated locally advanced or mUC.

Trial Registration

ClinicalTrials.gov identifier: NCT04995419
Prevalence of Human Papillomavirus‐Associated Head and Neck Cancer in Rwanda: A 10‐Year Review
Authors: Rubagumya Fidel , Businge Lydia , Hopman Wilma H. , Murenzi Gad , Uwimbabazi Aline , Kwizera Vincent , Imuragire Julienne , Muvunyi Thierry Z. , Izimukwiye Isabelle , Adedimeji Adebola , Barney Rachael E. , Tsongalis Gregory J. , Chamberlin Mary D. , Anastos Kathryn , Kabarriti Rafi
Published: November 2024

Introduction

Head and neck cancer (HNC) is a significant global health burden, with late presentation leading to complex treatment. While human papillomavirus (HPV) infection has been implicated in HNC, data from low‐ and middle‐income countries (LMICs) are limited. In this study, we investigated the prevalence and role of HPV in head and neck cancers diagnosed in Rwanda.

Methods

A retrospective cross‐sectional study was conducted using Rwanda Cancer Registry from January 2011 through December 2020. p16 immunohistochemistry as a surrogate for HPV was performed on a randomly selected case. p16‐positive cases were genotyped.

Results

A total of 1001 patients with HNC were identified; 82% (n = 819) had squamous cell carcinoma. The mean age at diagnosis was 51.1 years, with a majority being males (58%). Oral cavity and lip (27%) were the most common primary cancer sites. Stage was unknown in most cases (75%, n = 747). HIV status was known in 33% (n = 334) of patients with 10% (n = 33) HIV‐positive; 22% of 202 randomly selected cases were p16‐positive; 34% of the p16‐positive cases were oropharynx. PCR analysis of p16‐positive cases showed 19% HPV positivity, and HPV16 was the most common high‐risk HPV strain, and 55.5% were recorded HPV‐positive by PCR.

Conclusions

HNC cases in Rwanda have been increasing from 2011 to 2020, with a significant portion being HPV‐positive. Strategies to implement routine testing for p16, especially in oropharynx cancer patients, improved preservation of tissue samples, collection of comprehensive information including cancer risk factors, staging, and treatment are needed in Rwanda.
Synthesis, Urease Inhibitory Activity, Molecular Docking, Dynamics, MMGBSA and DFT Studies of Hydrazone‐Schiff Bases Bearing Benzimidazole Scaffold
Authors: Shakoor Abdul , Jan Faheem , Rahman Sudais , Ali Mumtaz , Ibrahim Muhammad , Khan Hammad , Alam Aftab , Khan Ajmal , Ali Abid , Al‐Olayan Ebtesam , Abukhadra Mostafa R. , Al‐Harrasi Ahmed , Khan Momin
Published: November 2024

In this study, eleven hydrazone‐Schiff bases bearing benzimidazole moiety were synthesized successfully via three step reactions and structures of these products were deduced by HR‐ESI‐MS, 1H‐, and 13C‐NMR spectroscopic techniques. Lastly, these derivatives were tested for their in vitro urease inhibitory potential. Six compounds among the series attributed excellent inhibition with IC50 values of 7.20±0.59 to 19.61±1.10 μM better than the reference drug thiourea (IC50=22.12±1.20 μM). Similarly, three derivatives showed significant while two compounds showed less inhibitory effects against the urease enzyme. The molecular docking analysis was carried out to reveal the binding modes and types of interaction taking place between protein (urease) and synthesized compounds. The Density Functional Theory (DFT) calculations were performed at B3LYP/6‐311++G(d,p) to check the structure stability. For the account of intramolecular interaction, the DFT−D3 and Reduced Density Gradient (RDG) analysis were performed. Furthermore, the chemical nature of all compounds was explored by TD‐DFT method using CAM−B3LYP functional with 6–311++G(d,p) basis set. The dynamic simulation as well as MMGBSA studies validated the binding affinity and stability of the ligand receptor complex, displaying main interactions contributing in the biological activity of the product derivatives.
Odontogenic carcinosarcoma of the mandible: A case report
Authors: Aminishakib Pouyan , Mosavat Farzaneh , Bayati Mahsa , Garajei Ata
Published: November 2024

Key Clinical Message

Odontogenic carcinosarcoma, a rare and challenging diagnosis, was identified in a 60‐year‐old male through histopathology, revealing a biphasic neoplasm with malignant epithelial and mesenchymal components. Surgical resection is crucial for management, highlighting the importance of vigilant postoperative follow‐up to ensure early detection of any recurrence.

One rare mixed malignant odontogenic tumor is odontogenic carcinosarcoma, which comprises malignant epithelial and mesenchymal components. Diagnosing odontogenic carcinosarcoma is challenging due to its rarity and atypical clinical presentation. This study reports a 60‐year‐old male patient who presented with a painless swelling on the right side of his face and experienced facial asymmetry for 6 months, ultimately diagnosed with odontogenic carcinosarcoma. A biphasic neoplasm with malignant alterations in both epithelial and mesenchymal components was identified upon histopathological examination. MRI imaging showed an expansile multilobulated lytic lesion with cortical erosion and extraosseous extension in the posterior region of the right mandibular body and ramus. Following contrast administration, homogeneous lesion enhancement was observed, with a few small non‐enhancing necrotic areas in central parts. The patient subsequently underwent a right hemi‐mandibulectomy with resection of adjacent soft tissues and neck dissection due to lymph node involvement. The resulting defect was reconstructed using a pectoralis major flap. No recurrence or metastasis was reported during the 6‐month follow‐up, reinforcing the positive results. This case highlights the importance of recognizing odontogenic carcinosarcoma and underscores the challenges in diagnosing and managing this rare tumor. Early identification and aggressive treatment can lead to positive outcomes, as evidenced by the absence of recurrence or metastasis in this patient during the follow‐up period.