bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ranking Magnetic Colloid Performance for Magnetic Particle Imaging and Magnetic Particle Hyperthermia
Authors: Carlton Hayden , Salimi Marzieh , Arepally Nageshwar , Bentolila Gabriela , Sharma Anirudh , Bibic Adnan , Newgren Matt , Goodwill Patrick , Attaluri Anilchandra , Korangath Preethi , Bulte Jeff W.M. , Ivkov Robert 
Published: October 2024

AbstractMagnetic particle imaging (MPI) is an emerging modality that can address longstanding technological challenges encountered with magnetic particle hyperthermia (MPH) cancer therapy. MPI is a tracer technology compatible with MPH for which magnetic nanoparticles (MNPs) provide signal for MPI and heat for MPH. Identifying whether a specific MNP formulation is suitable for both modalities is essential for clinical implementation. Current models predict that functional requirements of each modality impose conflicting demands on nanoparticle magnetic properties. This objective here is to develop a measurement and ranking scheme based on end‐use performance to streamline evaluation of candidate MNP formulations. The measured MPI point‐spread function (PSF) and specific loss power (SLP) is combined to generate a single numerical value for comparison on a relative ranking scale, or figure of merit (FoM). 12 aqueous iron‐containing formulations are evaluated, including FDA‐approved (parenteral) iron‐containing colloids. MNPs with high (Synomag‐D70: 123.4), medium (Synomag‐D50: 63.2), and low (NanoXact: 0.147) FoM values are selected for in vivo validation of the selection scheme in subcutaneous 4T1 tumors. Results demonstrate that the proposed ranking accurately assessed the relative performance of MNPs for MPI and MPH. Data demonstrated that image quality and tumor temperature rise increased with FoM ranking, validating predictions. It isshown that the MPI signal correlated with MNP concentration in tissue. Computational heat transfer models anchored on tumor MPI data harmonized with experimental results to within an average of 2 °C when MNP content estimated from MPI data is included. Computational studies emphasized the importance of post‐injection MNP quantitation and MPI spatial resolution.
Generation of an Ultra‐Long Transverse Optical Needle Focus Using a Monolayer MoS2 Based Metalens
Authors: Li Zhonglin , Gao Kangyu , Wang Yingying , Bie Ruitong , Yang Dongliang , Yu Tianze , Gao Renxi , Liu Wenjun , Zhong Bo , Sun Linfeng 
Published: October 2024

AbstractLine‐scan mode enables rapid and high‐throughput imaging through the development of an appropriate optical transverse needle focus. Diffraction gratings allow the generation of a line focus, but they face the challenge of low light power utilization due to multiple high‐order diffractions. In addition, designing the focus requires the selection of functional materials. Atomically thin transition metal dichalcogenides with high dielectric constants provide significant phase shifts to incident light by utilizing phase singularity at zero reflection. However, at zero reflection, no light power is available for utilization, necessitating a balance between phase and amplitude modulation. In this work, the aforementioned issues are addressed by designing a monolayer MoS2 based Fresnel strip metalens. An optical needle primary focus with a transverse length of 40 µm (≈80 λ, the longest value reported to date), a sub‐diffraction‐limited lateral spot, and a broad range of working wavelengths are achieved using the metalens. The metalens not only concentrate light power in the primary diffraction order by overcoming the constraint of momentum conservation but also maintains a constant phase modulation between distinct strips. The novel method for optical manipulation present here holds great promise for applications in biology, oncology, nanofabrication, energy harvesting, and optical information processing.
Pharmacophore‐Based Modeling, Synthesis, and Biological Evaluation of Novel Quinazoline/Quinoline Derivatives: Discovery of EGFR Inhibitors with Low Nanomolar Activity
Authors: Evren Asaf Evrim , Sağlik Özkan Begüm Nurpelin , Akalin‐Çiftçi Gülşen , Yurttaş Leyla 
Published: October 2024

AbstractThe main aim of this study is to obtain novel molecules that are more selective on cancer cells compared to healthy cells. For this purpose, four hit molecules are identified using 11 new pharmacophore hypotheses followed by scanning the in‐house database. Then, based on those hit molecules, the synthesis and analysis of four different series (three quinazolines and one quinoline series) are carried out, and their anticancer activity is investigated. Finally, by using molecular docking and dynamics simulation methods, binding mode and structure–activity relationship are examined. Among the quinazolin‐4(3H)‐one derivatives, those containing halogen atom are found to be potentially effective, while the best epidermal growth factor receptor (EGFR) inhibition and apoptosis induction are displayed by compounds containing 4‐amino‐1,2,4‐triazole moiety. Notably, four compounds (4h, 8d, 8l, and 8m) show EGFR inhibition activity at 5.298 ± 0.164, 5.46 ± 0.221, 2.670 ± 0.124, and 2.191 ± 0.908 × 10−9 m, their inhibitory activity is similar to or stronger than gefitinib (IC50: 4.169 ± 0.156 × 10−9 m). In addition, EGFR inhibitor concentration of 4g, 8e, and 8o is determined as 27588 ± 6.945, 52.41 ± 2.312, and 33657 ± 8.512 × 10−9 m. These findings indicate that generated pharmacophore hypotheses successfully determine new EGFR inhibitors. In conclusion, four novel compounds, more active than gefitinib with fewer side effects, are reached, and the structure–activity relationships are clarified.
Detachable DNA Assembly Module to Dissect Tumor Cells Heterogeneity via RNA Pinpoint Screening
Authors: Liu Wei , Liao Ni , Lei Yanmei , Liang Wenbin , Yang Xia , Yuan Ruo , Yang Chaoyong , Zhuo Ying 
Published: October 2024

AbstractDifferential RNA expression is becoming increasingly valuable in evaluating tumor heterogeneity for a better understanding of malignant tumors and guiding personalized therapy. However, traditional techniques for analyzing cellular RNA are mainly focused on determining the absolute level of RNA, which may lead to inaccuracies in understanding tumor heterogeneity, primarily due to i) the subtle differences in certain RNA types that have similar total concentrations and ii) the existence of variations in RNA expression across different samples. Herein, a detachable DNA assembly module is proposed that is capable not only of quantifying the expression level of target RNA but also of innovatively evaluating its proportion within its RNA family population through a sequential assembly and disassembly route. Using the let‐7 family as an experimental model, a significant difference is discovered in let‐7a proportion between normal mammary epithelial cells and breast cancer cells, a characteristic that is often missed in bulk analysis of traditional techniques. By combining concentration and proportion information, the detachable DNA assembly module demonstrates markedly higher efficiency in discerning among various types of cells compared to traditional techniques. This innovative assembly module is expected to offer a new perspective to highlight tumor heterogeneity and guide personalized therapy.
A Cluster‐Based Deep Learning Model Perceiving Series Correlation for Accurate Prediction of Phonon Spectrum
Authors: Liang Chao , Rouzhahong Yilimiranmu , Yao Shunwei , Liang Junhao , Yu Chunlin , Wang Biao , Li Huashan 
Published: October 2024

AbstractThe spectral properties are the most prevalent continuous representation for characterizing transport phenomena and excitation responses, yet their accurate predictions remain a challenge due to the inability to perceive series correlations by existing machine learning (ML) models. Herein, a ML model named cluster‐based series graph networks (CSGN) is developed based on the dynamical theory of crystal lattices to predict phonon density of states (PDOS) spectrum for crystal materials. The multiple atomic cluster representation is constructed to capture the diverse vibration modes, while the mixture Gaussian process and dynamic time warping mechanism are compiled to project from clusters to PDOS spectrum. Accurate predictions of complicated spectra with multiple or overlapping peaks are achieved. The high performance of CSGN model can be attributed to the pertinent feature extraction and the appropriate similarity evaluation, which enable the natural perception of structure‐property relation and intrinsic series correlations as confirmed in the predictive results. The transferable and interpretable CSGN model advances ML predictions of spectral properties and reveals the potential of designing ML methods based on physical mechanisms.
Trait component analysis of lettuce in response to daily light integrals at two growth stages
Authors: Sheikhi Hossein , Delshad Mojtaba , Aliniaeifard Sasan , Babalar Mesbah , Nasiri Rasool , Shojaei Seyed Habib , Haghbeen Kamahldin 
Published: October 2024

AbstractLittle is known about the relative impact of lighting duration and light intensity on lettuce production, as well as whether daily light integrals (DLIs) play a significant role during different plant growth stages. Four DLIs were tested: 8.64, 11.52, 12.96, and 17.28 mol m−2 day−1 as supplemental lighting, which were obtained from a combination of supplemental light intensities at 200 and 300 µmol m−2 day−1 for 12 and 16 h. Sunlight was used as control. A direct correlation was observed between DLIs and yield, total fresh weight, and total dry weight. Under supplemental lighting, relative growth rate (RGR) increased due to an increase in net assimilation rate (NAR) rather than in leaf area ratio (LAR). Plants in the seedling stage were more sensitive to an elevation in DLI than in the head stage. This was confirmed by a greater increase in NAR compared to their corresponding control under the same DLI. Increasing DLI also improved lettuce quality via reducing nitrate and increasing protein content. Higher DLIs (12.96 and 17.28 mol m−2 day−1) led to a decrease in maximum quantum yield of photosystem II and an increase in performance index. In conclusion, manipulating RGR through NAR adjustments proved to be more effective than changes in LAR, and adjusting supplemental DLI at each stage was necessary to achieve a larger NAR and, consequently, a larger RGR.
Intraoperative redosing of antibiotics for prevention of surgical site infections: A systematic review and meta‐analysis
Authors: Hanai Yuki , Hirai Jun , Kobayashi Masahiro , Matsuo Kazuhiro , Kouzu Keita , Shinkawa Hiroji , Shinji Seiichi , Kobayashi Motomu , Kitagawa Yuichi , Yamashita Chizuru , Mohri Yasuhiko , Nobuhara Hiroshi , Suzuki Katsunori , Shimizu Junzo , Uchino Motoi , Haji Seiji , Yoshida Masahiro , Mizuguchi Toru , Mayumi Toshihiko , Kitagawa Yuko , Ohge Hiroki 
Published: October 2024

AbstractBackgroundAppropriate antibiotic prophylaxis is essential for preventing surgical site infections (SSI); however, the clinical benefit of intraoperative redosing remains unclear and controversial owing to insufficient reliable evidence. Therefore, we performed a systematic review and meta‐analysis to assess the effectiveness of prophylactic antibiotic redosing in lengthy surgical procedures.MethodsWe systematically searched the PubMed, Cochrane Library, Web of Science, and Ichushi‐Web databases for articles published until 31 December, 2023. We compared the incidence of SSI between patients receiving and not receiving intraoperative redosing of antibiotics in surgeries lasting ≥3 h. Subgroup analyses were conducted across study characteristics. Odds ratios (ORs) and 95% confidence intervals (CIs) were calculated using the Mantel–Haenszel random effects model. The risk of bias was assessed using the ROBINS‐I.ResultsOverall, seven observational studies involving 4,671 patients were included. Intraoperative antibiotic redosing significantly reduced the risk of SSI compared with non‐redosing (OR = 0.65, 95% CI = 0.45–0.94, p = 0.02). Subgroup analyses showed that intraoperative redosing decreased SSI risk in studies with a minimum 4‐h operative time, no postoperative antibiotic continuation, and a moderate risk of bias. However, the statistical heterogeneity of the analyses was high among the studies.ConclusionsIntraoperative redosing with prophylactic antibiotics during lengthy surgeries may be associated with a lower risk of SSI than non‐redosing. Therefore, we recommend intraoperative redosing for surgeries lasting beyond 3–4 h to reduce the risk of infection. Further research is required to clarify the optimal redosing interval, which should be prioritized in future studies.
Dual Ion Co‐Insertion Induced Spontaneous and Reversible Phase Conversion Chemistry for Unprecedented Zn2+ Storage
Authors: Zhang Xikun , Zhang Junwei , Yu Haoxiang , Madanu Thomas L. , Xia Maoting , Xing Pengcheng , Vlad Alexandru , Shu Jie , Su Bao‐Lian 
Published: October 2024

AbstractPrussian blue analogues are highly promising electrode materials due to their versatile electrochemical activity and low cost. However, they often suffer from severe structural damage caused by the Jahn–Teller distortion and dissolution of high‐spin outer metal ions, resulting in poor cycle life. Material modification and electrolyte regulation have been the common approaches to address this issue, albeit with very limited success. We report here a novel and efficient strategy to preserve structural stability by co‐inserting Co2+ and Zn2+ ions in KCo[Fe(CN)6]. This co‐insertion induced a spontaneous and reversible phase conversion by the replacement of low‐spin inner ion (Fe3+), which efficiently relieves structural damage caused by Jahn–Teller distortion and metal‐ion dissolution, leading to an outstanding Zn2+ storage capacity and an exceptional improvement of cycle life with a capacity retention of 97.7 % over 4400 cycles at 40 C. We also demonstrated the enhancement of co‐intercalation on ion migration using a combined approach of experimental and density functional theory (DFT) calculations. This work provides an important progress to solve the cycle stability of Prussian blue analogues towards their practical application as electrode materials for aqueous batteries.
A Critical View on the Use of DNA Hydrogels in Cell‐Free Protein Synthesis
Authors: Moench Svenja , Lemke Phillip , Hansen Abbey , Bickmann Christoph , Peng Martin , Rabe Kersten S. , Domínguez Carmen M. , Niemeyer Christof M. 
Published: October 2024

AbstractNumerous studies have reported in the past that the use of protein‐encoding DNA hydrogels as templates for cell‐free protein synthesis (CFPS) leads to better yields than the use of conventional templates such as plasmids or PCR fragments. Systematic investigation of different types of bulk materials from pure DNA hydrogels and DNA hydrogel composites using a commercially available CFPS kit showed no evidence of improved expression efficiency. However, protein‐coding DNA hydrogels were advantageously used in microfluidic reactors as immobilized templates for repetitive protein production, suggesting that DNA‐based materials offer potential for future developments in high‐throughput profiling or rapid in situ characterization of proteins.
Dynamically Confined Active Silver Nanoclusters with Ultrawide Operating Temperature Window in CO oxidation
Authors: Li Rongtan , Mu Rentao , Li Kun , Fan Yamei , Liu Conghui , Ning Yanxiao , Li Mingrun , Fu Qiang , Bao Xinhe 
Published: October 2024

AbstractSupported metal nanoclusters are often highly active in many catalytic reactions but less stable particularly under harsh reaction conditions. Here, we demonstrate that this activity‐stability trade‐off can be efficiently broken through rational design of surrounding microenvironment of the supported nanocatalyst including gas adsorbate overlayer and underneath support surface chemistry. Our studies reveal that chemisorbed oxygen species on Ag surface and surface hydroxyl groups on oxide support, which are dynamically consumed during reaction but sustained by reaction environment (O2 and H2O vapor), drive spontaneous redispersion of Ag particles and stabilization of highly active Ag nanoclusters. Such a dynamic confinement effect from gas‐catalyst‐support interaction enables the Ag nanoclusters to exhibit complete catalytic oxidation of CO over a wide temperature window of 25‐500 °C under dry conditions and 200‐800 °C under wet conditions as well as remarkable stability at 300 °C over 1000 h.
Hydroxyl Radical Mediated Heterogeneous Photocatalytic Baeyer–Villiger Oxidation over Covalent Triazine/Heptazine‐Based Frameworks
Authors: Tang Juntao , Jiang Zhiwei , Gao Zhu , Xie Qiujian , Gu Shuai , Chen Anqi , Yuan Jiayin , Li Wen , Tang Ruiren , Yu Guipeng 
Published: October 2024

AbstractThe Baeyer–Villiger (B–V) oxidation of ketones to the corresponding lactones/esters is a classic and essential reaction in the chemical industry. However, this oxidation process has not yet been achieved in ambient conditions with the aid of oxygen and heterogeneous photocatalysts. In this study, we developed an organic photocatalytic system using covalent triazine/heptazine‐based frameworks (CTF‐TB/CHF‐TB) to enable the B–V oxidation reaction under mild conditions through a cascade reaction pathway. Experimental data and theoretical calculations showed that heptazine/triazine units can “chelate” and decompose the in situ generated H2O2 into hydroxyl radicals (⋅OH). Compared to conventional methods that primarily involve metal‐activated benzaldehyde at elevated temperatures (e.g., 60 °C), the ⋅OH generated in our study can readily cleave the C−H bond of benzaldehyde, forming an active intermediate that drives subsequent sequential processes: O2→H2O2→⋅OH→Ph‐CO⋅→Ph‐COOO⋅. By employing this photocatalytic process, a yield of 91 % and a selectivity of over 99 % were obtained in the oxidation of cyclohexanone to caprolactone at room temperature. This performance is comparable to the state‐of‐the‐art catalysts, and our CHF‐TB catalyst demonstrates impressive reusability, maintaining a high yield after 5 consecutive runs. This work presents a straightforward approach for C−H cleavage by organocatalysts to produce ϵ‐caprolactone in a mild manner by B–V oxidation.
Metabolic Syndrome, Adipokines, and Response to Advanced Therapies in Rheumatoid Arthritis
Authors: Baker Joshua F. , Reed George , Mikuls Ted R. , Thiele Geoffrey M. , Pappas Dimitrios A. , Charles‐Schoeman Christina , Guma Monica , Harrold Leslie R. , Curtis Jeffrey R. , Kremer Joel M. 
Published: October 2024

ObjectiveWe determined if metabolic syndrome, its components, and adipokines (adiponectin, leptin, and fibroblast growth factor‐21) were associated with response to advanced therapies among patients with rheumatoid arthritis (RA).MethodsThis study included participants with RA initiating either tumor necrosis factor inhibitor (TNFi) or non‐TNFi biologic therapies from the Comparative Effectiveness Registry to study Therapies for Arthritis and Inflammatory Conditions (CERTAIN) cohort within the CorEvitas registry. Metabolic syndrome was defined according to the National Cholesterol Education Program Adult Treatment Panel III definition. Adipokines were assessed on stored samples from a subsample of responders and nonresponders (n = 200). The primary outcome was the achievement of a change as large as the minimal clinically important difference (MCID) for the Clinical Disease Activity Index (CDAI) at 6 months.ResultsAmong 2,368 participants, 687 (29%) had metabolic syndrome. Metabolic syndrome was associated with lower odds of achieving CDAI MCID (odds ratio [OR] 0.69, 95% confidence interval [CI] 0.56–0.86, P = 0.001) with a dose‐dependent decrease in response rate according to the number of components present. Model fit was superior for metabolic syndrome compared with body mass index. Associations between metabolic syndrome and MCID achievement were similar between patients receiving TNFi (OR 0.65, 95% CI 0.49–0.87, P = 0.003) versus non‐TNF therapies (OR 0.76, 95% CI 0.55–1.04, P = 0.08 [P for interaction = 0.49]). Adipokines were not associated with MCID achievement.ConclusionMetabolic syndrome is associated with lower response rates with the initiation of an advanced therapy in RA, with similar effects for both TNFi and non‐TNFi agents. Adipokines were strongly associated with metabolic syndrome but were not associated with clinical response.
Enhancing the production and immobilization of cell‐bound lipase from yeast‐like fungus Magnusiomyces capitatusA4C for sustainable biodiesel production in a packed bed reactor
Authors: Baloch Khurshid Ahmed , Upaichit Apichat , Cheirsilp Benjamas , Fibriana Fidia 
Published: October 2024

AbstractMagnusiomyces capitatus A4C, a mycelium‐forming and lipase‐producing yeast‐like fungus, was employed in a five‐level factorial design to optimize the collective and interactive influences of carbon, nitrogen and emulsifying sources and their possible effects on cell‐bound lipase (CBL) and cell biomass production. The cell culture of M. capitatus A4C was incubated along with biomass support particles (BSPs) to immobilize the enzyme while anchoring CBL on their surfaces. Among the BSPs tested, CBL immobilized on loofah sponge under optimized conditions showed a substantial hydrolytic activity of 12.7 U mL−1 and a cell‐loading capacity of 0.61 g g−1 of BSPs. Immobilized CBL was applied for biodiesel production via transesterification and esterification. The conversion percentage of triacylglycerides was approximately 100% at 24 h with the addition of water at 1:1 (v/v). The conversion of oleic acid into biodiesel via esterification was 100% at 48 h in the presence of 15% (v/v) isooctane. Further, biodiesel production was scaled up using a packed bed reactor. The batch production of biodiesel in a packed bed reactor through transesterification was 96.2%, with a circulation flow rate of 5.5 mL min−1 for 18 h. On the other hand, oleic acid conversion into biodiesel via esterification was 99.5%, with a circulation flow rate of 5.5 mL min−1 for 24 h. Further investigation revealed that the immobilized biocatalyst exhibited higher stability with esterification (85.3% fatty acid methyl ester) after ten repeated cycles.
Environmental entrepreneurship orientation and duality of goals: The moderating roles of public and private knowledge
Authors: Labella‐Fernández Ana , Martínez‐del‐Río Javier , Vázquez‐Brust Diego A. , Céspedes‐Lorente Jose J. 
Published: October 2024

AbstractExpanding dynamic capability theory, we propose environmental entrepreneurship orientation (EEO) as a dynamic capability to achieve a duality of goals—the simultaneous and synergistic realization of environmental and economic performance. We conceptualize a moderating effect of a company's knowledge base (public or private) on the relationship between EEO and the duality of goals. We test our hypothesis in Spanish companies by applying partial least squares modeling. We find that: a) EEO relates positively to both environmental and economic performance, b) public knowledge enhances the relation between EEO and environmental performance, and c) private knowledge strengthens the relation between EEO and economic performance. The implication of our findings is that firms need to simultaneously access public and private knowledge to optimize the influence of EEO on attaining this duality of goals.