bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rational Design of Carbon Dots Featuring High Spectral Overlap with Analyte for Effective Detection of Metronidazole via Inner Filter Effect
Authors: Zhuang Jialuo , Li Zijian , Bi Hong 
Published: February 2024

AbstractThe development of fluorescent probe with high spectral overlap with analyte is favorable for the sensing applications via inner filter effect, which requires facile tuning of their structure and photophysical properties. Herein, the rational design of blue emissive carbon dots (B‐CDs) is reported for effective detection of metronidazole (MNZ) in both deionized water and real water samples. The design strategy is based on the elaborate choice of precursors that allows precise control over the nitrogen‐doping degree and graphitization content of B‐CDs. As a result, the as‐prepared B‐CDs exhibit a specific and quick fluorescence quenching response to MNZ via the IFE mechanism because of their good spectral overlap in absorbance. This approach shows a broad linear range (0.5–160 µm), low detection limit (0.1 µm), and moderate selectivity, suggesting its promise for practical applications in environmental sensing.
Synthesis and Phase Transition of Large‐Area Layered Ferroelectric Semiconductor α‐In2Se3 via 2D Solid‐Phase Crystallization
Authors: Hsu Chih‐Pin , Useinov Artur , Woon Wei‐Yen , Liao Szuya , Hou Tuo‐Hung 
Published: February 2024

AbstractFerroelectric semiconductor α‐In2Se3 has gained significant attention due to its favorable physical characteristics, including an appropriate bandgap (≈1.4 eV) for semiconductor devices, intercorrelated out‐of‐plane and in‐plane polarization, and high Curie temperature (>200 °C). Combining its semiconducting and ferroelectric properties, α‐In2Se3 holds promise for developing many innovative applications. However, the large‐scale synthesis of uniform layered α‐In2Se3 for practical use and a comprehensive understanding of its phase transition during synthesis are lacking. In this study, layered α‐In2Se3 on amorphous SiO2 substrates at a cm2‐scale is successfully synthesized and explored its phase transition during synthesis, by using a 2D solid‐phase crystallization (2DSPC) method with a SiO2 encapsulation. The formation of highly crystalline 2D layered α‐In2Se3 is observed through the real‐time β‐phase to α‐phase transition at room temperature. The electrical (field‐effect mobility µFE ≈ 1 cm2 V−1s−1), optical, and ferroelectric properties of the synthesized α‐In2Se3 thin films are further investigated. This study contributes to the understanding and control of stoichiometry and phases of In2Se3 and provides an efficient approach for synthesizing large‐area 2D layered α‐In2Se3.
Computational Design of Optimized Modular Photovoltaic Electrochemical Reactor for Energy Efficient CO2‐to‐Cn Reduction Reaction with Bandgap Tunable Perovskite Tandem Cells
Authors: Kwon Seok Joon 
Published: February 2024

AbstractFor electrosynthesis of carbon fuels from CO2, engineered catalysts have improved the electrochemical (EC) reduction efficiency. However, most EC systems rely on a batch reactor, which is not relevant for Cn fuels with high n (n ≥ 3) due to low selectivity. For enhanced electron‐to‐fuel (ETF) efficiency, modular configurations are advantageous. The best configurations allowing high yield reduction of CO2 into Cn fuels are investigated. It is found that serial and parallel configurations exhibit four to five times higher ETF efficiency than simple batch reactor. The best photovoltaic (PV) tandem cells made of metal halide perovskite for the optimized EC modular systems are also found. These materials have a bandgap tunability covering most Cn fuels. With the computationally optimized tandem PVs, it is found that the [PV+EC] series configuration achieves up to 2.28% and 2.86% solar‐to‐fuel (STF) efficiency of C3 aldehydes and alcohols, which are greater than what has been reported in the literature. For C4 aldehydes and alcohols, the [PV+EC] parallel configuration achieves up to 0.17% and 0.21% STF efficiency, respectively. The present study on modules and materials design will provide a useful way to create EC production of Cn fuels that can help reach carbon neutrality.
Heterogeneous preferences and consumer willingness to pay for vitamin D fortification of eggs
Authors: Areal Francisco J. , Asioli Daniele 
Published: February 2024

AbstractFood reformulation can contribute to achieve public health objectives by facilitating access to healthy and sustainable food choices to consumers. Vitamin D is an important micronutrient that contributes to calcium absorption and bone health. Low vitamin D levels may lead to having a higher risk of poor bone and muscle for human health. In this manuscript we investigated, for the first time, United Kingdom consumer willingness to pay (WTP), and heterogeneity preferences for vitamin D fortification of eggs. We used a choice experiment (CE) involving several hypothetical egg products (i.e., pack of 10 eggs) that vary across three attributes levels such as production method (i.e., Cage, Barn, Free‐range, and Organic), vitamin (i.e., no information or by reporting on the pack the claim “Vitamin D added”), and price (i.e., £0.80/pack, £1.90/pack, £3.00/pack, and £4.10/pack). Results suggest that, although on average consumers prefer low‐price eggs produced using the free‐range production method and the information about vitamin D fortification does not affect their valuation, there is a significant preference heterogeneity in consumer preferences associated with animal welfare, environment, health, and price attributes. Particularly, there is a significant preference heterogeneity towards the purchasing of eggs produced using the barn production method. Furthermore, we found that consumer preferences for vitamin D fortification of eggs is affected by consumer's age and the price of eggs. These findings provide useful insights into the psychology of consumer acceptance and attitudes that can be used in communicating the nature of the fortified vitamin D eggs to the public. They also have important implications for future labeling policies and marketing strategies of egg industry.
Effects of nonaromatic through‐bond conjugation and through‐space conjugation on the photoluminescence of nontraditional luminogens
Authors: Zhang Xiaomi , Bai Yunhao , Deng Junwen , Zhuang Peifeng , Wang Huiliang 
Published: February 2024

AbstractPhotoluminescence (PL) mechanisms of nontraditional luminogens (NTLs) have attracted great interest, and they are generally explained with intra/intermolecular through‐space conjugation (TSC) of nonconventional chromophores. Here a new concept of nonaromatic through‐bond conjugation (TBC) is proposed and it is proved that it plays an important role in the PL of NTLs. The PL behaviors of the three respective isomers of cyclohexanedione and gemdimethyl‐1,3‐cyclohexanedione were studied and correlated with their chemical and aggregate structures. These compounds show different fluorescence emissions as well as different concentration, excitation and solvent‐dependent emissions. The compounds which undergo keto‐enol tautomerism and hence with a conjugated ketone‐enol structure (i.e., nonaromatic TBC) show more red‐shifted emissions. TBC effect reduces the energy gaps and facilitates the formation of stronger TSC in the aggregate state. The compounds in the ketone‐enol form are also prone to occur excited state intra/intermolecular proton transfer (ESIPT). The cooperative effect of nonaromatic TBC and TSC determines the PL behaviors of NTLs. This work provides a novel understanding of the PL mechanisms of NTLs and is of great importance for directing the design and synthesis of novel NTLs.
Reducing transfusion utilization for children with sickle cell anemia in sub‐Saharan Africa with hydroxyurea: Analysis from the phase I/II REACH trial
Authors: Power‐Hays Alexandra , Tomlinson George A. , Tshilolo Leon , Santos Brígida , Williams Thomas N. , Olupot‐Olupot Peter , Smart Luke R. , Aygun Banu , Lane Adam , Stuber Susan E. , Latham Teresa , Ware Russell E. 
Published: February 2024

AbstractChildren with sickle cell anemia (SCA) in Africa frequently require transfusions for SCA complications. Despite limited blood supplies, strategies to reduce their transfusion needs have not been widely evaluated or implemented. We analyzed transfusion utilization in children with SCA before and during hydroxyurea treatment. REACH (Realizing Effectiveness Across Continents with Hydroxyurea, NCT01966731) is a longitudinal Phase I/II trial of hydroxyurea in children with SCA from Angola, Democratic Republic of Congo, Kenya, and Uganda. After enrollment, children had a two‐month pre‐treatment screening period followed by 6 months of fixed‐dose hydroxyurea (15–20 mg/kg/day), 18 months of dose escalation, and then stable dosing at maximum tolerated dose (MTD). Characteristics associated with transfusions were analyzed with univariate and multivariable models. Transfusion incidence rate ratios (IRR) across treatment periods were calculated. Among 635 enrolled children with 4124 person‐years of observation, 258 participants (40.4%) received 545 transfusions. The transfusion rate per 100 person‐years was 43.2 before hydroxyurea, 21.7 on fixed‐dose, 14.5 during dose escalation, and 10.8 on MTD. During MTD, transfusion incidence was reduced by 75% compared to pre‐treatment (IRR 0.25, 95% confidence interval [CI] 0.18–0.35, p < .0001), and by 50% compared to fixed dose (IRR 0.50, 95% CI 0.39–0.63, p < .0001). Hydroxyurea at MTD decreases transfusion utilization in African children with SCA. If widely implemented, universal testing and hydroxyurea treatment at MTD could potentially prevent 21% of all pediatric transfusions administered in sub‐Saharan Africa. Increasing hydroxyurea access for SCA should decrease the transfusion burden and increase the overall blood supply.
Bridging of Cove Regions: A Strategy for Realizing Persistently Chiral Double Heterohelicenes with Attractive Luminescent Properties
Authors: Qu Cheng , Xu Yincai , Wang Yu , Nie Yufang , Ye Kaiqi , Zhang Hongyu , Zhang Zuolun 
Published: February 2024

AbstractThe racemization of chiral organic compounds is a common chemical phenomenon. However, it often poses configurational‐stability issues to the application of this class of compounds. Achieving chiral organic compounds without the risk of racemization is fascinating, but it is challenging due to a lack of strategies. Here, we reveal the cove‐regions bridging strategy for achieving persistently chiral multi‐helicenes (incapable of racemization), based on the synthesized proof‐of‐concept double hetero[4]helicenes featuring macrocycle structures with a small 3D cavity. Additionally, we demonstrate that the strategy is also effective in tuning the electronic structures of multi‐helicenes, resulting in a conversion from luminescence silence into thermally activated delayed fluorescence (TADF) for the present system. Furthermore, red circularly polarized TADF based on small double [4]helicene systems is achieved for the first time using this strategy. The disclosed cove‐regions bridging strategy provides an opportunity to modulate the electronic structures and luminescent properties of multi‐helicenes without concern for racemization, thus significantly enhancing the structural and property diversity of multi‐helicenes for various applications.
Effect of different side chains on alternating copolymers of benzodithiophene and thiophene in organic solar cells
Authors: Mota Isabela Custódio , Arias Jonathan Rubio , de Araújo Francineide Lopes , Nogueira Ana Flávia , de Fátima Vieira Marques Maria 
Published: February 2024

AbstractPolymeric semiconductors offer the dual advantages of lightness and flexibility, facilitating the large‐scale production of organic electronic devices. In the present research, electron donor polymers were synthesized incorporating high electron density aromatic units, specifically benzodithiophene (BDT) and thiophene (Th), to explore their efficacy in organic electronics. This systematic study focused on evaluating the impact of varying side chains on the material properties of these polymers. It was found that polymers with Th side chains exhibited significantly enhanced thermal stability, approximately 100°C higher than their alkoxide side chain counterparts. For the polymer PEHO‐BDT3HT, a bandgap value of around 1.6 eV was obtained. Furthermore, binary devices were developed using these novel copolymers, among which PDT‐BDT3HT demonstrated superior photovoltaic performance, achieving a power conversion efficiency of 1.56% without any optimization. This work not only sheds light on the influence of side chain variations in polymer properties but also showcases the potential of BDT and Th‐based copolymers in the field of organic electronics.
SiteMine: Large‐scale binding site similarity searching in protein structure databases
Authors: Reim Thorben , Ehrt Christiane , Graef Joel , Günther Sebastian , Meents Alke , Rarey Matthias 
Published: February 2024

AbstractDrug discovery and design challenges, such as drug repurposing, analyzing protein–ligand and protein–protein complexes, ligand promiscuity studies, or function prediction, can be addressed by protein binding site similarity analysis. Although numerous tools exist, they all have individual strengths and drawbacks with regard to run time, provision of structure superpositions, and applicability to diverse application domains. Here, we introduce SiteMine, an all‐in‐one database‐driven, alignment‐providing binding site similarity search tool to tackle the most pressing challenges of binding site comparison. The performance of SiteMine is evaluated on the ProSPECCTs benchmark, showing a promising performance on most of the data sets. The method performs convincingly regarding all quality criteria for reliable binding site comparison, offering a novel state‐of‐the‐art approach for structure‐based molecular design based on binding site comparisons. In a SiteMine showcase, we discuss the high structural similarity between cathepsin L and calpain 1 binding sites and give an outlook on the impact of this finding on structure‐based drug design. SiteMine is available at https://uhh.de/naomi.
Aptamer‐based fluorescent sensor for highly sensitive detection of methamphetamine
Authors: Wang Yandan , Wang Zheyu , Tong Yishuo , Zhang Dan , Yun Keming , Yan Jiangwei , Niu Weifen 
Published: February 2024

AbstractThe construction of a fluorescence aptamer sensor was achieved by employing the fundamental principle of fluorescence resonance energy transfer. By employing molecular modeling technologies to identify the binding site, the high‐affinity aptamer APT‐40nt was derived from the whole sequence and utilized on the graphene oxide (GO) fluorescent platform for the purpose of achieving a highly sensitive detection of methamphetamine (METH). The aptamer tagged with fluorescein (FAM) dye undergoes quenching in the presence of GO due to π‐stacking interaction. With the addition of the target, the aptamer that has been tagged was detached from the GO surface, forming a stable complex with METH. This process resulted in fluorescence restoration of the system, and the degree of fluorescence restoration was proportional to METH concentration in the linear range of 1–50 and 50–200 nM. Notably, under optimized conditions, the detection limit of this aptasensor was as low as 0.78 nM, which meets the detection limit requirements of METH detection in saliva and urine in some countries and regions. Moreover, other common illicit drugs and metabolites had minimizing interference with the determination. The established aptasensor, therefore, has been successfully applied to detect METH in saliva and urine samples and exhibited satisfactory recoveries (87%–111%). This aptasensor has the advantages of low detection limit, excellent selectivity, ease of operation, and low cost, providing a promising strategy for on‐site detection of METH in saliva and urine.
Implementation of mDoE‐methods to a microcarrier‐based expansion processes for mesenchymal stem cells
Authors: Kuchemüller Kim B. , Pörtner Ralf , Möller Johannes 
Published: February 2024

AbstractThe need for advanced therapy medicinal products (ATMPs) has gained increased attention in recent years. In this respect, a well‐designed cell expansion process is needed to efficiently manufacture the required number of cells with the desired product quality. This step is challenging due to the biological complexity of the respective primary cell (e.g., mesenchymal stem cells (MSC)) and the usage of microcarrier‐based expansion systems. One accelerating approach for process design is model‐assisted Design of Experiments (mDoE) combining mathematical process models and statistical tools. In this study, the mDoE workflow was used for the development of an expansion processes with human immortalized mesenchymal stem cells (hMSC‐TERT) and the aim of maximizing cell yield assuming only a limited amount of prior knowledge at a very early stage of development. First, suitable microcarriers for expansion in shake flasks were screened and the differentiation of the cells was proven. Second, initial experiments were performed to generate prior knowledge, which was then used to set up the mathematical model and to estimate the model parameters. Finally, the mDoE was used to determine and evaluate the design space to be performed experimentally. Overall, a cell expansion process using microcarriers in a shake flask culture was successfully implemented and a significant increase in cell yield (up to 6,2‐fold) was achieved compared to literature.
Clinical and genetic characteristics predict outcomes of acute myeloid leukemia patients with FLT3 mutations receiving venetoclax‐based therapy
Authors: Weng Guangyang , Huang Jingya , An Na , Zhang Yu , Yu Guopan , Sun Zhiqiang , Lin Dongjun , Deng Lan , Liang Xinquan , Xiao Jie , Zhang Hongyu , Guo Ziwen , He Xin , Jin Hua , Liu Qifa , Du Xin 
Published: February 2024

AbstractBackgroundAcute myeloid leukemia (AML) is a heterogeneous disease, and its heterogeneity is associated with treatment response. Despite the demonstrated success of venetoclax (VEN)‐based therapy for AML, the effect of FLT3 mutations on the efficacy of the therapy is poorly understood. We aimed to compare the efficacy of VEN‐based therapy between FLT3‐mutated (FLT3mut) and FLT3 wild‐type (FLT3wt) patients and identify the predictors of efficacy in FLT3mut patients.MethodsA total of 266 AML patients (127 newly diagnosed [ND] and 139 refractory/relapsed [R/R]) receiving VEN‐based regimens were enrolled in this study. A retrospective analysis was performed, and the treatment responses and overall survival (OS) of FLT3mut and FLT3wt patients were compared. Logistic regression and Cox proportional hazards model were applied to examine the clinical and genetic predictors of outcomes.ResultsWith a median of two cycles of VEN‐based therapy, for the ND AML cohort, the FLT3mut group had a comparable composite complete remission (CRc) rate with the FLT3wt group (79.3% vs. 61.2%, p = 0.072). For the R/R AML cohort, the FLT3mut group exhibited a lower CRc rate than the FLT3wt group. With a median follow‐up of 8.6 months (95% confidence interval [CI], 8.0–10), the median OS observed in the FLT3mut and FLT3wt groups for both cohorts were close (14.0 vs. 19.9 months, p = 0.356; 10.0 vs. 11.9 months, p = 0.680). For the ND AML cohort, in FLT3mut patients, MRD‐positive and RNA‐splicing mutation predicted inferior survival (hazard ratio [HR], 10.3; 95% CI: 2.0–53.8; p = 0.006; HR 11.3; 95% CI: 1.2–109.3; p = 0.036, respectively). For the R/R AML cohort, in FLT3mut patients, adverse ELN risk was associated with an inferior response (odds ratio [OR], 0.2; 95% CI: 0.1–0.8; p = 0.025), whereas NPM1 co‐mutation was associated with a superior response (57.1%; OR, 6.7; 95% CI: 1.5–30.1; p = 0.014). CR/CRi predicted a better survival (HR 0.2; 95% CI: 0.1–0.8; p = 0.029), while DNMT3A mutation predicted an inferior survival (HR, 4.6; 95% CI: 1.4–14.9; p = 0.011).ConclusionsFLT3 mutations may influence response to VEN‐based therapy in R/R AML patients but not in ND AML patients. Furthermore, clinical and genetic characteristics could predict outcomes of FLT3mut patients receiving VEN‐based therapy.
The impact of body mass index on survival endpoints among patients with metastatic urothelial carcinoma undergoing treatment with immune checkpoint inhibitors: A real‐world multicenter analysis
Authors: Huang Shih‐Yu , Su Po‐Jung , Lin Chang‐Ting , Kuo Ming‐Chun , Chen Yi‐Hua , Wu Chia‐Che , Luo Hao‐Lun , Chen Chien‐Hsu , Chou Chih‐Chi , Huang Chun‐Chieh , Kuo Chung‐Wen , Su Yu‐Li 
Published: February 2024

AbstractBackgroundStudies on the correlation between high body mass index (BMI) and extended survival among patients receiving immune checkpoint inhibitors (ICIs) have been made, although findings have shown variability. Our research explored the phenomenon of the “obesity paradox” in patients with metastatic urothelial carcinoma (mUC) undergoing treatment with ICIs.Materials and MethodsWe conducted a retrospective analysis of patients diagnosed with mUC who received a minimum of one cycle of ICI treatment at two medical centers in Taiwan from September 2015 to January 2023. Features of patients' clinicopathologic factors, including age, sex, primary or metastatic location, treatment line, and BMI were examined. The primary outcome were overall survival (OS) and progression‐free survival (PFS), which were assessed utilizing the Kaplan–Meier method. We employed the Cox‐regression model to adjust for multiple covariates.ResultsA total of 215 patients were included, with 128 (59.5%) being male, and the median age was 70 years. In the obese group (BMI ≥25 kg/m2), patients demonstrated significantly better median OS compared to the non‐obese group (BMI <25 kg/m2) (21.9 vs. 8.3 months; p = 0.021). However, there was no significant difference in median PFS between the high and low BMI groups (4.7 vs. 2.8 months; p = 0.16). Post‐hoc subgroup revealed a survival benefit from ICI treatment in male patients within the BMI ≥25 kg/m2 group (HR 0.49, 95% CI 0.30–0.81, p = 0.005).ConclusionBased on real‐world data from the Asia‐Pacific region, there appears to be a correlation between obesity and prolonged OS in patients receiving ICI treatment for mUC.
Selective Aza‐Michael Addition to Dehydrated Amino Acids in Natural Antimicrobial Peptides
Authors: Vargiu Michela , Xu Yanli , Kuipers Oscar P. , Roelfes Gerard 
Published: February 2024

AbstractWe report the efficient and site selective modification of non‐canonical dehydroamino acids in ribosomally synthesized and post‐transationally modified peptides (RiPPs) by β‐amination. The singly modified thiopeptide Thiostrepton showed an up to 35‐fold increase in water solubility, and minimum inhibitory concentration (MIC) assays showed that antimicrobial activity remained good, albeit lower than the unmodified peptide. Also the lanthipeptide nisin could be modified using this method.
Urban community college pathways and partnerships: Modern workforce development, dual enrollment, and non‐degree credential programs
Authors: Deggs David M. , Flores Agapito 
Published: February 2024

AbstractUrban community colleges fulfill a critical role in metropolitan areas. These institutions are often large by design, with campuses in various communities and neighborhoods so that the institution may fulfill its open access mission across a metropolitan area. This article addresses three emerging initiatives that enable the urban community college to fulfill its open‐access mission—modern workforce development, dual enrollment, and non‐degree credential programs. While these programs or initiatives may seem separately unique and even siloed, they are essential pieces of a comprehensive strategy that the modern urban community college should implement to ensure open access to a diverse population of students while simultaneously addressing critical business and industry needs. Careful design and management of these programs are essential to fulfilling the urban community college's evolving mission in modern society.