bluuebunny/crossref_metadata_2025_split huggingface dataset:
Integrating Vision‐Language Models for Accelerated High‐Throughput Nutrition Screening
Authors: Ma Peihua , Wu Yixin , Yu Ning , Jia Xiaoxue , He Yiyang , Zhang Yang , Backes Michael , Wang Qin , Wei Cheng‐I 
Published: July 2024

AbstractAddressing the critical need for swift and precise nutritional profiling in healthcare and in food industry, this study pioneers the integration of vision‐language models (VLMs) with chemical analysis techniques. A cutting‐edge VLM is unveiled, utilizing the expansive UMDFood‐90k database, to significantly improve the speed and accuracy of nutrient estimation processes. Demonstrating a macro‐AUCROC of 0.921 for lipid quantification, the model exhibits less than 10% variance compared to traditional chemical analyses for over 82% of the analyzed food items. This innovative approach not only accelerates nutritional screening by 36.9% when tested amongst students but also sets a new benchmark in the precision of nutritional data compilation. This research marks a substantial leap forward in food science, employing a blend of advanced computational models and chemical validation to offer a rapid, high‐throughput solution for nutritional analysis.
Unexpected Self‐Assembly of Nanographene Oxide Membranes upon Electron Beam Irradiation for Ultrafast Ion Sieving
Authors: Dai Fangfang , Gu Zonglin , Hu Shouyuan , Peng Bingquan , Yang Rujie , Jiang Jie , Yao Lufeng , Liang Shanshan , Tu Yusong , Li Pei , Chen Liang 
Published: July 2024

AbstractNanographene oxide (nGO) flakes—graphene oxide with a lateral size of ≈100 nm or less—hold great promise for superior flux and energy‐efficient nanofiltration membranes for desalination and precise ionic sieving owing to their unique high‐density water channels with less tortuousness. However, their potential usage is currently limited by several challenges, including the tricky self‐assembly of nano‐sized flakes on substrates with micron‐sized pores, severe swelling in aqueous solutions, and mechanical instability. Herein, the successful fabrication of a robust membrane stacked with nGO flakes on a substrate with a pore size of 0.22 µm by vacuum filtration is reported. This membrane achieved an unprecedented water permeance above 819.1 LMH bar−1, with a high rejection rate of 99.7% for multivalent metal ions. The nGO flakes prepared using an electron beam irradiation method, have uniquely pure hydroxyl groups and abundant aromatic regions. The calculations revealed the strong hydrogen bonds between two nGO flakes, which arise from hydroxyl groups, coupled with hydrophobic aromatic regions, greatly enhance the stability of stacked flakes in aqueous solutions and increase their effective lateral size. The research presents a simple yet effective approach toward the fabrication of advanced 2D nanographene membranes with superior performance for ion sieving applications.
Multimodal Machine Learning‐Based Marker Enables Early Detection and Prognosis Prediction for Hyperuricemia
Authors: Zeng Lin , Ma Pengcheng , Li Zeyang , Liang Shengxing , Wu Chengkai , Hong Chang , Li Yan , Cui Hao , Li Ruining , Wang Jiaren , He Jingzhe , Li Wenyuan , Xiao Lushan , Liu Li 
Published: July 2024

AbstractHyperuricemia (HUA) has emerged as the second most prevalent metabolic disorder characterized by prolonged and asymptomatic period, triggering gout and metabolism‐related outcomes. Early detection and prognosis prediction for HUA and gout are crucial for pre‐emptive interventions. Integrating genetic and clinical data from 421287 UK Biobank and 8900 Nanfang Hospital participants, a stacked multimodal machine learning model is developed and validated to synthesize its probabilities as an in‐silico quantitative marker for hyperuricemia (ISHUA). The model demonstrates satisfactory performance in detecting HUA, exhibiting area under the curves (AUCs) of 0.859, 0.836, and 0.779 within the train, internal, and external test sets, respectively. ISHUA is significantly associated with gout and metabolism‐related outcomes, effectively classifying individuals into low‐ and high‐risk groups for gout in the train (AUC, 0.815) and internal test (AUC, 0.814) sets. The high‐risk group shows increased susceptibility to metabolism‐related outcomes, and participants with intermediate or favorable lifestyle profiles have hazard ratios of 0.75 and 0.53 for gout compared with those with unfavorable lifestyles. Similar trends are observed for other metabolism‐related outcomes. The multimodal machine learning‐based ISHUA marker enables personalized risk stratification for gout and metabolism‐related outcomes, and it is unveiled that lifestyle changes can ameliorate these outcomes within high‐risk group, providing guidance for preventive interventions.
In Situ Electropolymerizing Toward EP‐CoP/Cu Tandem Catalyst for Enhanced Electrochemical CO2‐to‐Ethylene Conversion
Authors: Wang Chao , Sun Yifan , Chen Yuzhuo , Zhang Yiting , Yue Liangliang , Han Lianhuan , Zhao Liubin , Zhu Xunjin , Zhan Dongping 
Published: July 2024

AbstractElectrochemical CO2 reduction has garnered significant interest in the conversion of sustainable energy to valuable fuels and chemicals. Cu‐based bimetallic catalysts play a crucial role in enhancing *CO concentration on Cu sites for efficient C─C coupling reactions, particularly for C2 product generation. To enhance Cu's electronic structure and direct its selectivity toward C2 products, a novel strategy is proposed involving the in situ electropolymerization of a nano‐thickness cobalt porphyrin polymeric network (EP‐CoP) onto a copper electrode, resulting in the creation of a highly effective EP‐CoP/Cu tandem catalyst. The even distribution of EP‐CoP facilitates the initial reduction of CO2 to *CO intermediates, which then transition to Cu sites for efficient C─C coupling. DFT calculations confirm that the *CO enrichment from Co sites boosts *CO coverage on Cu sites, promoting C─C coupling for C2+ product formation. The EP‐CoP/Cu gas diffusion electrode achieves an impressive current density of 726 mA cm−2 at −0.9 V versus reversible hydrogen electrode (RHE), with a 76.8% Faraday efficiency for total C2+ conversion and 43% for ethylene, demonstrating exceptional long‐term stability in flow cells. These findings mark a significant step forward in developing a tandem catalyst system for the effective electrochemical production of ethylene.
Metal‐Coordinated NIR‐II Nanoadjuvants with Nanobody Conjugation for Potentiating Immunotherapy by Tumor Metabolism Reprogramming
Authors: Dai Yeneng , Guo Ziang , Leng Dongliang , Jiao Guanda , Chen Kai , Fu Mingxuan , Liu Yang , Shen Qingming , Wang Qi , Zhu Lipeng , Zhao Qi 
Published: July 2024

AbstractImmune checkpoint blockade (ICB) immunotherapy remains hampered by insufficient immunogenicity and a high‐lactate immunosuppressive tumor microenvironment (TME). Herein, a nanobody‐engineered NIR‐II nanoadjuvant with targeting metabolic reprogramming capability is constructed for potentiating NIR‐II photothermal‐ferroptosis immunotherapy. Specifically, the nanoadjuvant (2DG@FS‐Nb) is prepared by metallic iron ion‐mediated coordination self‐assembly of D‐A‐D type NIR‐II molecules and loading of glycolysis inhibitor, 2‐deoxy‐D‐glucose (2DG), followed by modification with aPD‐L1 nanobody (Nb), which can effectively target the immunosuppressive TME and trigger in situ immune checkpoint blockade. The nanoadjuvants responsively release therapeutic components in the acidic TME, enabling the precise tumor location by NIR‐II fluorescence/photoacoustic imaging while initiating NIR‐II photothermal‐ferroptosis therapy. The remarkable NIR‐II photothermal efficiency and elevated glutathione (GSH) depletion further sensitize ferroptosis to induce severe lipid peroxidation, provoking robust immunogenic cell death (ICD) to trigger anti‐tumor immune response. Importantly, the released 2DG markedly inhibits lactate generation through glycolysis obstruction. Decreased lactate efflux remodels the immunosuppressive TME by suppressing M2 macrophage proliferation and downregulating regulatory T cell levels. This work provides a new paradigm for the integration of NIR‐II phototheranostics and lactate metabolism regulation into a single nanoplatform for amplified anti‐tumor immunotherapy combined with ICB therapy.
Construction of Fluoride‐Rich Interphase for Sustained Magnesiophilic Site Release Toward High‐Stability Chloride‐Free Magnesium Metal Batteries
Authors: Li Guyue , Chen Keyi , Lei Meng , Wang Tengfei , Hu Ming , Li Chilin 
Published: July 2024

AbstractRechargeable magnesium batteries (RMBs) have the potentials in terms of high energy density, resource abundancy and safety beyond current lithium‐ion batteries. However, the bare Mg metal electrode is prone to be passivated by solvents, suffering from the extremely high overpotential and short life during cycling. Herein, a facile chloride‐free solution pretreatment method for Mg anode is developed to construct the fluoride‐rich artificial interphase. Driven by the strong‐Lewis‐acidity trifluoromethanesulfonate anion, the interphase consisting of magnesiophilic and fluoride‐rich components are constructed by the substitution reaction of Mg metal with antimony trifluoride. The formed porous Sb‐based skeletons can uniform the electric‐field distribution and Mg ions flux at anode side, inducing the self‐adapting dendrite‐free Mg deposition even under large current density. The generated alloyable metal fluoride enables to lower the desolvation energy barrier for Mg ions and sustainedly release metallic antimony to compensate for the potentially invalid magnesiophilic sites during cycling. Therefore the symmetric cells with modified Mg anodes achieve the excellent cycling over 2000 h at 1 mA cm−2 and under a high areal capacity of 5 mAh cm−2. The full cells with CuS cathodes exhibit a superior high voltage stability (2.6 V vs Mg/Mg2+) and high coulombic efficiency close to 100%.
Early blood immune molecular alterations in cynomolgus monkeys with a PSEN1 mutation causing familial Alzheimer's disease
Authors: Li Mengqi , Guan Mingfeng , Lin Jianbang , Zhu Kaichuan , Zhu Jiayi , Guo Ming , Li Yinhu , Chen Yefei , Chen Yijing , Zou Ying , Wu Daiqiang , Xu Junxin , Yi Wanying , Fan Yingying , Ma Shuangshuang , Chen Yuewen , Xu Jun , Yang Lixin , Dai Ji , Ye Tao , Lu Zhonghua , Chen Yu 
Published: July 2024

AbstractINTRODUCTIONMore robust non‐human primate models of Alzheimer's disease (AD) will provide new opportunities to better understand the pathogenesis and progression of AD.METHODSWe designed a CRISPR/Cas9 system to achieve precise genomic deletion of exon 9 in cynomolgus monkeys using two guide RNAs targeting the 3′ and 5′ intron sequences of PSEN1 exon 9. We performed biochemical, transcriptome, proteome, and biomarker analyses to characterize the cellular and molecular dysregulations of this non‐human primate model.RESULTSWe observed early changes of AD‐related pathological proteins (cerebrospinal fluid Aβ42 and phosphorylated tau) in PSEN1 mutant (ie, PSEN1‐ΔE9) monkeys. Blood transcriptome and proteome profiling revealed early changes in inflammatory and immune molecules in juvenile PSEN1‐ΔE9 cynomolgus monkeys.DISCUSSIONPSEN1 mutant cynomolgus monkeys recapitulate AD‐related pathological protein changes, and reveal early alterations in blood immune signaling. Thus, this model might mimic AD‐associated pathogenesis and has potential utility for developing early diagnostic and therapeutic interventions.Highlights
A dual‐guide CRISPR/Cas9 system successfully mimics AD PSEN1‐ΔE9 mutation by genomic excision of exon 9.
PSEN1 mutant cynomolgus monkey‐derived fibroblasts exhibit disrupted PSEN1 endoproteolysis and increased Aβ secretion.
Blood transcriptome and proteome profiling implicate early inflammatory and immune molecular dysregulation in juvenile PSEN1 mutant cynomolgus monkeys.
Cerebrospinal fluid from juvenile PSEN1 mutant monkeys recapitulates early changes of AD‐related pathological proteins (increased Aβ42 and phosphorylated tau).
Hydrophobic Ion Barrier‐Enabled Ultradurable Zn (002) Plane Orientation towards Long‐Life Anode‐Less Zn Batteries
Authors: Liu Guigui , Tang Yongchao , Wei Yue , Li Hongqing , Yan Jianping , Feng Zhenfeng , Du Wencheng , Yang Qi , Ye Minghui , Zhang Yufei , Wen Zhipeng , Liu Xiaoqing , Li Cheng Chao 
Published: July 2024

AbstractGradual disability of Zn anode and high negative/positive electrode (N/P) ratio usually depreciate calendar life and energy density of aqueous Zn batteries (AZBs). Herein, within original Zn2+‐free hydrated electrolytes, a steric hindrance/electric field shielding‐driven “hydrophobic ion barrier” is engineered towards ultradurable (002) plane‐exposed Zn stripping/plating to solve this issue. Guided by theoretical simulations, hydrophobic adiponitrile (ADN) is employed as a steric hindrance agent to ally with inert electric field shielding additive (Mn2+) for plane adsorption priority manipulation, thereby constructing the “hydrophobic ion barrier”. This design robustly suppresses the (002) plane/dendrite growth, enabling ultradurable (002) plane‐exposed dendrite‐free Zn stripping/plating. Even being cycled in Zn‖Zn symmetric cell over 2150 h at 0.5 mA cm−2, the efficacy remains well‐kept. Additionally, Zn‖Zn symmetric cells can be also stably cycled over 918 h at 1 mA cm−2, verifying uncompromised Zn stripping/plating kinetics. As‐assembled anode‐less Zn‖VOPO4 ⋅ 2H2O full cells with a low N/P ratio (2 : 1) show a high energy density of 75.2 Wh kg−1full electrode after 842 cycles at 1 A g−1, far surpassing counterparts with thick Zn anode and low cathode loading mass, featuring excellent practicality. This study opens a new avenue by robust “hydrophobic ion barrier” design to develop long‐life anode‐less Zn batteries.
Enantioselective Synthesis of Cyclopentenes by (3+2) Annulation via a 2‐Carbon Phosphonium
Authors: Seitz Antonia , Maddigan‐Wyatt Jeremy T. , Cao Jing , Breugst Martin , Lupton David W. 
Published: July 2024

AbstractHerein we report a catalytic enantioselective (3+2) annulation, in which a vinyl phosphonium intermediate serves as the 2‐carbon component. The reaction involves an α‐umpolung β‐umpolung coupling sequence, enabled by β‐haloacrylates and chiral enantioenriched phosphepine catalysts. The reaction shows good generality, providing access to an array of cyclopentenes, with mechanistic studies supporting stereospecific formation of the vinyl phosphonium intermediate which, then undergoes annulation with turn over limiting catalyst elimination. Beyond defining a new approach to cyclopentenes, these studies demonstrate that β‐haloacrylates can replace ynoates in reaction designs that require exclusive umpolung coupling at the α‐ and β‐positions.
Highly Efficient Low‐loaded PdOx/AlSiOx Catalyst for Ethylene Dimerization
Authors: Otroshchenko Tatiana , Sharapa Dmitry I. , Fedorova Elizaveta A. , Zhao Dan , Kondratenko Evgenii V. 
Published: July 2024

AbstractEthylene dimerization is an industrial process that is currently carried out using homogeneous catalysts. Here we present a highly active heterogeneous catalyst containing minute amounts of atomically dispersed Pd. It requires no co‐catalyst(s) or activator(s) and significantly outperforms previously reported catalysts tested under similar reaction conditions. The selectivity to C4‐ and C6‐hydrocarbons was about 80 % and 10 % at 42 % ethylene conversion at 200 °C using an industrially relevant feed containing 50 vol % ethylene, respectively. Our kinetic and catalyst characterization experiments complemented by density functional theory calculations provide molecular insights into the local environment of isolated Pd(II)Ox species and their role in achieving high activity in the target reaction. When the developed catalyst was rationally integrated with a Mo‐containing olefin metathesis catalyst in the same reactor, the formed butenes reacted with ethylene to propylene with a selectivity of 98 % at about 24 % ethylene conversion.
Resilient distributed model predictive control of state‐delayed linear parameter varying systems with quantitative communication against denial of service attacks
Authors: Zhong Aiping , Lu Wanlin , Zhang Langwen 
Published: July 2024

AbstractThis work presents a resilient distributed model predictive control (MPC) method for linear parameter varying (LPV) systems with state delays and attacks in communication networks. Coordinations are required for distributed MPC (DMPC) to achieve the global performance of centralized MPC (CMPC). However, control performance can be severely degraded by unreliable communication networks, for example, with denial of service (DoS) attacks. A resilient control framework is derived to address the unreliable communications in DMPC. A global system is divided into subsystems for the distributed control purpose. To deal with the model uncertainties and state delays, a “min‐max” DMPC algorithm is presented with a buffer to ensure resilience against DoS attacks. A quantization scheme is introduced to quantize the control information exchanged between subsystems. An iterative interaction scheme is proposed to exchange feedback control laws among subsystems. The stability of the closed‐loop system under the proposed algorithm is ensured by using a Lyapunov function method. The effectiveness of the proposed DMPC is demonstrated through two simulation examples.
Mid‐childhood autism sibling recurrence in infants with a family history of autism
Authors: Bazelmans Tessel , Arthur Rowan , Pasco Greg , Shephard Elizabeth , Milosavljevic Bosiljka , Ali Jannath Begum , Pickles Andrew , Johnson Mark H. , Jones Emily J. H. , Charman Tony ,   The BASIS/STAARS Team
Published: July 2024

AbstractAutism sibling recurrence in prospective infant family history studies is ~20% at 3 years but systematic follow‐up to mid‐childhood is rare. In population and clinical cohorts autism is not recognized in some children until school‐age or later. One hundred and fifty‐nine infants with an older sibling with autism underwent research diagnostic assessments at 3 years and mid‐childhood (6 to 12 years (mean 9)). We report the autism sibling recurrence rate in mid‐childhood and compare developmental and behavioral profiles at mid‐childhood and 3 years in those with earlier versus later recognized autism, and those who had, or had not, received a community autism diagnosis. The autism recurrence rate in this sample in mid‐childhood was 37.1%, 95% CI [29.9%, 44.9%] and higher in boys than girls. Around half of those diagnosed with autism in mid‐childhood had not received a diagnosis at 3 years. Later, diagnosis was more common in girls than boys. While some had sub‐threshold symptoms at 3, in others late diagnosis followed a largely typical early presentation. Sibling recurrence based on community clinical diagnosis was 24.5%, 95% CI [18.4%, 31.9%]. Those who also had a community diagnosis tended to be older, have lower adaptive function and higher autism and inattention symptoms. Notwithstanding limitations of a single site study, modest sample size and limits to generalisability, autism sibling recurrence in family history infants may be higher in mid‐childhood than in studies reporting diagnostic outcome at 3 years. Findings have implications for families and clinical services, and for prospective family history studies.
Biochemical communication between filament‐forming enzymes
Authors: Bearne Stephen L. 
Published: July 2024

AbstractA host of metabolic enzymes reversibly self‐assemble to form membrane‐less, intracellular filaments under normal physiological conditions and in response to stress. Often, these enzymes reside at metabolic control points, suggesting that filament formation affords an additional regulatory mechanism. Examples include cytidine‐5′‐triphosphate (CTP) synthase (CTPS), which catalyzes the rate‐limiting step for the de novo biosynthesis of CTP; inosine‐5′‐monophosphate dehydrogenase (IMPDH), which controls biosynthetic access to guanosine‐5′‐triphosphate (GTP); and ∆1‐pyrroline‐5‐carboxylate (P5C) synthase (P5CS) that catalyzes the formation of P5C, which links the Krebs cycle, urea cycle, and proline metabolism. Intriguingly, CTPS can exist in co‐assemblies with IMPDH or P5CS. Since GTP is an allosteric activator of CTPS, the association of CTPS and IMPDH filaments accords with the need to coordinate pyrimidine and purine biosynthesis. Herein, a hypothesis is presented furnishing a biochemical connection underlying co‐assembly of CTPS and P5CS filaments – potent inhibition of CTPS by glutamate γ‐semialdehyde, the open‐chain form of P5C.
An analytical method using salting‐out assisted liquid–liquid extraction to quantify ceftriaxone from micro volumes of human serum
Authors: Mukai Yuji , Sugii Narushi , Doki Kosuke , Homma Masato 
Published: July 2024

AbstractCeftriaxone (CTRX) is a commonly used cephalosporin antibiotic. It is suggested that monitoring plasma/serum concentrations is helpful for its safe use. This study aimed to develop and validate an analytical method for measuring CTRX concentrations in human serum according to International Conference on Harmonization guideline M10. Ten microliters of serum sample was purified using a salting‐out assisted liquid–liquid extraction procedure with magnesium sulfate. The upper layer was then diluted threefold and analyzed using a liquid chromatography–tandem mass spectrometry‐based method with a total run time of 12 min. The linear calibration curve was obtained over the concentration range 5–500 μg/ml. The within‐run accuracy varied from 0.2 to 6.5%, and the precision was ≤8.0%. The between‐run accuracy and precision ranged from 0.7% to 5.6% and ≤6.4%, respectively. Significant carryover was resolved by injecting four blanks after high‐concentration CTRX samples. The recovery rates from spiked serum at low and high concentrations were 44.4 and 43.4%, respectively. Other factors, including selectivity, matrix effects, stability, dilution integrity and reinjection reproducibility also met the acceptance criteria. Serum concentrations in 14 samples obtained from two participants receiving 2 g/day of CTRX were successfully determined using this method.
Screening of inhibitors on successful covalent tyrosinase coupling with help from SpyBank
Authors: Yi Yu , Gong Xuewang , Cui Mengyuan , Liang Yuting , Mei Jianfeng , Ying Guoqing , Wu Yinfei 
Published: July 2024

AbstractMicrobial metabolites are an important source of tyrosinase (TYR) inhibitors because of their rich chemical diversity. However, because of the complex metabolic environment of microbial products, it is difficult to rapidly locate and identify natural TYR inhibitors. Affinity‐based ligand screening is an important method for capturing active ingredients in complex samples, but ligand immobilization is an important factor affecting the screening process. In this paper, TYR was used as ligand, and the SpyTag/SpyCatcher coupling system was used to rapidly construct affinity chromatography vectors for screening TYR inhibitors and separating active components from complex samples. We successfully expressed SpyTag–TYR fusion protein and SpyCatcher protein, and incubated SpyCatcher protein with epoxy‐activated agarose. The SpyTag–TYR protein was spontaneously coupled with SpyCatcher to obtain an affinity chromatography filler for immobilization of TYR, and the performance of the packaging material was characterized. Finally, compound 1 with enzyme inhibitory activity was successfully obtained from the fermentation product of marine microorganism C. Through HPLC, MS, 1H NMR and 13C NMR analyses, its structure was deduced as azelaic acid, and its activity was analyzed. The results showed that this is a feasible method for screening TYR inhibitors in complex systems.