bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heavy Atom Effect on the Intersystem Crossing of a Boron Difluoride Formazanate Complex‐Based Photosensitizer: Experimental and Theoretical Studies
Authors: Khrootkaew Tunyawat , Wangngae Sirilak , Chansaenpak Kantapat , Rueantong Kasin , Wattanathana Worawat , Pinyou Piyanut , Panajapo Pannipa , Promarak Vinich , Sagarik Kritsana , Kamkaew Anyanee 
Published: November 2023

AbstractPhotodynamic therapy (PDT) is a photochemical‐based treatment approach that involves using light to activate photosensitizers (PSs). Attractively, PDT is one of the alternative cancer treatments due to its noninvasive technique. By utilizing the heavy atom effect, this work modified a class of formazan dyes to improve intersystem crossing (ISC) to improve reactive oxygen species (ROS) generation for PDT treatment. Two methods were used to observe the ROS generation enhanced by ISC of the synthesized complexes including, (1) recording DPBF decomposition caused by the ROS, and (2) calculating the potential energy curves for photophysical mechanisms of BF2‐formazanate dyes using the DFT and nudged elastic band (NEB) methods. The photophysical properties of the dyes were studied using spectroscopic techniques and X‐ray crystallography, as well as DFT calculations. The experimental and theoretical results and in vitro cellular assays confirmed the potential use of the newly synthesized iodinated BF2‐formazanate dyes in PDT.
Tuning the Catalytic Activity of Covalent Metal‐Organic Frameworks for CO2 Cycloaddition Reactions
Authors: Song Jing‐Yi , Chen Xu , Wang Yu‐Mei , Luo Xiao , Zhang Tian‐E. , Ning Guo‐Hong , Li Dan 
Published: November 2023

AbstractThe development of efficient, recyclable and low‐cost heterogeneous catalysts for conversion of carbon dioxide (CO2) into epoxides is highly desired, yet remain a challenge. Herein, we have prepared three two‐dimensional (2D) copper(I) cyclic trinuclear units (Cu(I)‐CTUs) based covalent metal–organic frameworks (CMOFs), namely JNM‐13, JNM‐14, and JNM‐15, via a one‐pot reaction by combination of coordination and dynamic covalent chemistry. Among them, JNM‐15 contained the highest density of copper catalytic sites, and exhibited the highest capacity for adsorption of CO2. More interestingly, JNM‐15 delivered the highest catalytic activity for cycloaddition of CO2 to epoxides with good yields (up to 99 %), good substrate compatibility (11 examples) and reusability (four catalytic cycles) under mild condition.
Techno‐economic viability analysis of a downdraft gasification system for hydrogen production from date molasses waste in Iraq
Authors: Malik Abbas Safaa , Dakhel Alhassany Hend , Vera David , Jurado Francisco 
Published: November 2023

AbstractIn the current study, a fixed‐bed downdraft gasifier was used, in addition to gas cleaning and treatment units, to evaluate hydrogen production from the waste from a date molasses factory. Date pits and pomace were gasified at a temperature of 800°C with oxygen‐rich air and standard air as the gasifying agents. Simulations were performed using the Cycle‐Tempo simulation tool. The impact of many process parameters (air–fuel ratio, gasification temperature, moisture content, oxygen concentration and temperature of the water–gas shift) on gas composition was investigated. The economic evaluation of hydrogen production is also discussed in this paper. Depending on the operating conditions, the results indicate that gasification of biomass in oxygen‐rich air improves hydrogen yield compared with air gasification of biomass. Over the range of operating conditions examined, the maximum hydrogen production reached 45.86% for pits and 35.81% for pomace from gasification with oxygen‐rich air while the H2 content reached 36.71 and 28.72% respectively for air gasification of pits and pomace. The cost analysis for the date waste gasification unit showed that the hydrogen production cost is $3/kg for date pits and $4/kg for pomace. The production of hydrogen from date molasses manufacturing waste helps to lessen reliance on fossil fuels and is an environmentally beneficial alternative source of renewable energy.
Synergistic co‐utilization of biomass‐derived sugars enhances aromatic amino acid production by engineered Escherichia coli
Authors: Liu Arren , Machas Michael , Mhatre Apurv , Hajinajaf Nima , Sarnaik Aditya , Nichols Nancy , Frazer Sarah , Wang Xuan , Varman Arul M. , Nielsen David R. 
Published: November 2023

AbstractEfficient co‐utilization of mixed sugar feedstocks remains a biomanufacturing challenge, thus motivating ongoing efforts to engineer microbes for improved conversion of glucose−xylose mixtures. This study focuses on enhancing phenylalanine production by engineering Escherichia coli to efficiently co‐utilize glucose and xylose. Flux balance analysis identified E4P flux as a bottleneck which could be alleviated by increasing the xylose‐to‐glucose flux ratio. A mutant copy of the xylose‐specific activator (XylR) was then introduced into the phenylalanine‐overproducing E. coli NST74, which relieved carbon catabolite repression and enabled efficient glucose−xylose co‐utilization. Carbon contribution analysis through 13C‐fingerprinting showed a higher preference for xylose in the engineered strain (NST74X), suggesting superior catabolism of xylose relative to glucose. As a result, NST74X produced 1.76 g/L phenylalanine from a model glucose−xylose mixture; a threefold increase over NST74. Then, using biomass‐derived sugars, NST74X produced 1.2 g/L phenylalanine, representing a 1.9‐fold increase over NST74. Notably, and consistent with the carbon contribution analysis, the xylR* mutation resulted in a fourfold greater maximum rate of xylose consumption without significantly impeding the maximum rate of total sugar consumption (0.87 vs. 0.70 g/L‐h). This study presents a novel strategy for enhancing phenylalanine production through the co‐utilization of glucose and xylose in aerobic E. coli cultures, and highlights the potential synergistic benefits associated with using substrate mixtures over single substrates when targeting specific products.
Reactions of Medicinal Gold Compounds with Cathepsin B Explored through Electrospray Mass Spectrometry Measurements
Authors: Geri Andrea , Massai Lara , Novinec Marko , Turel Iztok , Messori Luigi 
Published: November 2023

AbstractMedicinal gold compounds, a novel class of potential anticancer drugs, are believed to produce their pharmacological effects mainly through direct gold binding to protein targets at the level of solvent exposed cysteine (or selenocysteine) residues. We have explored therein the reactions of a panel of seven representative gold compounds with the cysteine protease cathepsin B according to an established ESI MS approach. Detailed information on the mode of protein binding of these gold compounds is gained; notably, quite distinct patterns of cathepsin B metalation have emerged from these studies. It is shown that panel gold compounds interact preferentially, often exclusively, with the free cysteine located in the active site of the enzyme.
Effectiveness of educational interventions for diabetes‐related foot disease: A systematic review and meta‐analysis
Authors: Drovandi Aaron , Seng Leonard , Golledge Jonathan 
Published: November 2023

AbstractThis systematic review and meta‐analysis pooled evidence from randomised controlled trials (RCTs) on the effectiveness of educational programs for people with or at risk of diabetes‐related foot disease (DFD). A systematic search identified RCTs evaluating the effectiveness of educational programs in preventing or managing DFD. The primary outcome was risk of developing a foot ulcer. Secondary outcomes included any amputation, mortality, changes in cardiovascular risk factors, foot‐care knowledge and self‐care behaviours. Meta‐analyses were performed using random effects models. Risk of bias was assessed using Cochrane's ROB‐2 tool. Education programs were tested in 29 RCTs (n = 3891) and reduced risk of a foot ulcer by approximately half although the upper 95% confidence interval (CI) reached 1.00 (odds ratio [OR], OR 0.54; 95% CI 0.29, 1.00, I2 = 65%). Education programs reduced risk of any amputation (OR 0.34; 95% CI 0.13, 0.88, I2 = 38%) and HbA1c levels (standardized mean difference −0.73; 95% CI −1.26, −0.20, I2 = 93%) without affecting all‐cause mortality (OR 1.09; 95% CI 0.57, 2.07, I2 = 0%). Education programs mostly significantly improved DFD knowledge (13 of 16 trials) and self‐care behaviour scores (19 of 20 trials). Only one trial was deemed at low risk of bias. Previously tested education programs have mostly effectively improved participants' knowledge and self‐care behaviours and reduced risk of foot ulceration and amputation. Larger high quality trials with longer follow‐up are needed.
Gut microbiota regulate wheat starch‐induced metabolic disorders via control of colonic SCD1
Authors: Lee Eunjung , Do Moon Ho , Jhun Hyunjhung , Park Jae‐Ho , Park Ho‐Young 
Published: November 2023

AbstractUnbalanced carbohydrate diets are linked to metabolic disorders; however, there is limited information on the role of gut microbiota. We explored differences in mice gut microbiota and metabolic phenotypes resulting from diets with different carbohydrate sources. To investigate the metabolic dysfunction and mechanism of the wheat flour and starch on metabolic disorders, we analyzed the changes of phenotype and biomarkers in rice and wheat flour diet in C57BL/6 mice (specific pathogen‐free) and fecal transplantation from antibiotic‐treated or germ‐free (GF) mice model. Rice‐fed mice presented normal metabolic reactions, whereas wheat‐fed mice exhibited increased body weight, insulin resistance, serum triglycerides, and fasting glucose levels. Wheat starch‐fed mice displayed lower fecal microbiota alpha diversity, with a reduced abundance of Bacteroidetes, than high‐fat diet (HFD)‐fed and chow‐fed mice. Fecal transplantation from antibiotic‐treated or GF mice revealed that metabolic disruption induced by wheat diet feeding was mediated through gut microbiota and stearoyl‐CoA desaturase 1 (SCD1) signaling in the colon. Taken together, wheat‐based diets induce gut microbiota alterations, causing obesity and metabolic diseases through molecular activity linked to colonic SCD1. Therefore, colonic SCD1 could be a therapeutic target for patients with metabolic diseases who consume high‐carbohydrate diets.
Self‐reported sleep fragmentation and sleep duration and their association with cognitive function in PROTECT, a large digital community‐based cohort of people over 50
Authors: Aakre Jon Arild , Schulz Jörn , Ballard Clive , Corbett Anne , Bjorvatn Bjørn , Aarsland Dag , Creese Byron , Hampshire Adam , Brooker Helen , Testad Ingelin 
Published: November 2023

AbstractObjectiveSleep is vital for normal cognitive function in daily life, but is commonly disrupted in older adults. Poor sleep can be detrimental to mental and physical health, including cognitive function. This study assessed the association between self‐reported short (<6 h) and long (>9 h) sleep duration and sleep fragmentation (3≥ nightly awakenings) in cognitive function.MethodsCross‐sectional data from 8508 individuals enroled in the PROTECT study aged 50 and above formed the basis of the univariate linear regression analysis conducted on four cognitive outcomes assessing visuospatial episodic memory (VSEM), spatial working memory, verbal working memory (VWM), and verbal reasoning (VR).ResultsShort (ß = −0.153, 95% CI [−0.258, −0.048], p = 0.004) and long sleep duration (ß = −0.459, 95% CI [−0.826, −0.091], p = 0.014) were significantly associated with poorer cognitive performance in VWM. Long sleep duration (ß = −2.986, 95% CI [−5.453, −0.518], p = 0.018) was associated with impaired VR. Short sleep (ß = −0.133, 95% CI [−0.196, −0.069], p = <0.001) and sleep fragmentation (ß = −0.043, 95% CI [−0.085, −0.001], p = 0.043) were associated with reduced VSEM. These associations remained significant when including other established risk factors for dementia and cognitive decline (e.g., depression, hypertension).ConclusionsOur findings suggest that short and long sleep durations and fragmented sleep, may be risk factors for a decline in cognitive processes such as working memory, VR and episodic memory thus might be potential targets for interventions to maintain cognitive health in ageing.
The value of Demetics ultrasound‐assisted diagnosis system in diagnosis of breast lesions and in assessment Ki‐67 status of breast cancer
Authors: Wang Yao , Nie Fang , Liu Ting , Zhu Yangyang , Jia Yingying , Li Nana , Wu Ruichao 
Published: November 2023

AbstractPurposeThis study aims to explore the diagnostic efficiency of the Demetics for breast lesions and assessment of Ki‐67 status.MaterialThis retrospective study included 291 patients. Three combined methods (method 1: upgraded BI‐RADS when Demetics classified the breast lesion as malignant; method 2: downgraded BI‐RADS when Demetics classified the breast lesion as benign; method 3: BI‐RADS was upgraded or downgraded according to Demetrics' diagnosis) were used to compare the diagnostic efficiency of two radiologists with different seniority before and after using Demetics. The correlation between the visual heatmap by Demetics and the Ki‐67 expression level of breast cancer was explored.ResultsThe sensitivity, specificity, and area under curve (AUC) of diagnosis by Demetics, junior radiologist and senior radiologist were 89.5%, 83.1%, 0.863; 76.9%, 82.4%, 0.797 and 81.1%, 89.9%, 0.855, respectively. Method 1 was the best for senior radiologist, which increased AUC from 0.855 to 0.884. For junior radiologist, Method 3 was the best method, improving sensitivity (88.8% vs. 76.9%) and specificity (87.2% vs. 82.4%). Demetics paid more attention to the peripheral area of breast cancer with high expression of Ki‐67.ConclusionDemetics has shown good diagnostic efficiency in the assisted diagnosis of breast lesions and is expected to further distinguish Ki‐67 status of breast cancer.
Transversals in regular uniform hypergraphs
Authors: Henning Michael A. , Yeo Anders 
Published: November 2023

AbstractThe transversal number of a hypergraph is the minimum number of vertices that intersect every edge of . This notion of transversal is fundamental in hypergraph theory and has been studied a great deal in the literature. A hypergraph is ‐regular if every vertex of has degree , that is, every vertex of belongs to exactly edges. Further, is ‐uniform if every edge of has size , and so every edge of is a ‐element subset of . For and , let be the class of all ‐regular ‐uniform hypergraphs of order . In this paper we study the problem posed by Tuza to determine or estimate the best possible constants (which depend only on and ) for each and , such that for all . These constants are given by , where the supremum is taken over all . Tuza presented closed formulas when or , and showed that for all , for even, and for odd. We conjecture that for all and that for all . We show that both these conjectures hold for . Moreover we show, for example, that and . We show that for every and for sufficiently large and , the growth of is given by .
Reoperation after surgery for bone metastasis of renal cell carcinoma
Authors: Tsukamoto Shinji , Aiba Hisaki , Zuccheri Federica , Mavrogenis Andreas F. , Kido Akira , Honoki Kanya , Tanaka Yasuhito , Donati Davide Maria , Errani Costantino 
Published: November 2023

AbstractBackground and ObjectiveThe prognosis of metastatic renal cell carcinoma (RCC) has markedly improved with the advent of molecular targeted therapies and immune checkpoint inhibitors. However, the therapeutic response in patients with bone metastasis remains low; therefore, surgery still plays a significant role in treatment of bone metastasis. It is important to maintain quality of life for patients with bone metastasis from RCC and avoid reoperation after surgery for bone metastasis. Therefore, we investigated the risk factors for reoperation after surgery in patients with bone metastasis from RCC.MethodsWe retrospectively studied 103 bones of 97 patients who underwent surgery for bone metastasis of RCC from 2001 to 2023 at our institutions.ResultsReoperation was performed in 10 (9.7%) of 103 bones. There was no correlation between reoperation‐free survival and any of the following variables: preoperative and postoperative radiotherapy, site of bone metastasis, indication for surgery (solitary bone metastasis or impending or pathologic fractures), surgical method (intramedullary nailing fixation, curettage, or en bloc resection), preoperative embolization, or survival.ConclusionThe risk of reoperation for bone metastasis of RCC does not appear to be based on the surgical method.
Resolving phytoplankton pigments from spectral images using convolutional neural networks
Authors: Salmi Pauliina , Pölönen Ilkka , Beckmann Daniel Atton , Calderini Marco L. , May Linda , Olszewska Justyna , Perozzi Laura , Pääkkönen Salli , Taipale Sami , Hunter Peter 
Published: November 2023

AbstractMotivated by the need for rapid and robust monitoring of phytoplankton in inland waters, this article introduces a protocol based on a mobile spectral imager for assessing phytoplankton pigments from water samples. The protocol includes (1) sample concentrating; (2) spectral imaging; and (3) convolutional neural networks (CNNs) to resolve concentrations of chlorophyll a (Chl a), carotenoids, and phycocyanin. The protocol was demonstrated with samples from 20 lakes across Scotland, with special emphasis on Loch Leven where blooms of cyanobacteria are frequent. In parallel, samples were prepared for reference observations of Chl a and carotenoids by high‐performance liquid chromatography and of phycocyanin by spectrophotometry. Robustness of the CNNs were investigated by excluding each lake from model trainings one at a time and using the excluded data as independent test data. For Loch Leven, median absolute percentage difference (MAPD) was 15% for Chl a and 36% for carotenoids. MAPD in estimated phycocyanin concentration was high (102%); however, the system was able to indicate the possibility of a cyanobacteria bloom. In the leave‐one‐out tests with the other lakes, MAPD was 26% for Chl a, 27% for carotenoids, and 75% for phycocyanin. The higher error for phycocyanin was likely due to variation in the data distribution and reference observations. It was concluded that this protocol could support phytoplankton monitoring by using Chl a and carotenoids as proxies for biomass. Greater focus on the distribution and volume of the training data would improve the phycocyanin estimates.
The purity premium effect: The asymmetrical value change around pure products
Authors: Li Yi , Pandelaere Mario 
Published: November 2023

AbstractThis research documents a purity premium effect, showing that consumers perceive a greater value difference between a pure product containing 100% of a single material (e.g., 100% wool) and a non‐pure product containing lower quality material (e.g., 80% wool + 20% cotton), compared to two non‐pure products with the same composition difference (e.g., 80% wool + 20% cotton vs. 60% wool + 40% cotton), suggesting a nonlinear value change. However, the value change is linear in the higher‐quality direction, suggesting an asymmetrical change in value distance around pure products. This effect happens because consumers use pure products to categorize products into different quality groups such that pure products belong to a different quality category from the lower quality non‐pure products, but to the same quality category as the higher quality non‐pure products. Based on this theorizing, the perceived quality difference between the pure and non‐pure products, which integrates both the objective material quality difference and the categorical difference, serves as the mechanism to drive the asymmetrical change of value around pure products. Five studies support this asymmetrical purity premium effect and the proposed process. The findings offer direct implications for pricing decisions around pure products. A price premium can be extracted when pricing a higher quality pure product compared to the non‐pure products. However, such a price premium does not apply when the pure product is of lower quality than the non‐pure products.
Eliminating customer experience pain points in complex customer journeys through smart service solutions
Authors: Holz Heiko F. , Becker Marc , Blut Markus , Paluch Stefanie 
Published: November 2023

AbstractScholarly understanding of customer journeys has evolved from a linear, single service provider perspective to encompass complex service delivery networks that involve multiple touchpoints governed by various service providers. This intricate setting often gives rise to experiential pain points for customers. To investigate this phenomenon within the context of airport services, our research employs critical incident and problem‐centered interviews as well as an analysis of 7192 online airport reviews. In Studies 1a and 2a, we explore the crucial pain points that travelers encounter throughout their airport journey. Complementing these insights, Studies 1b and 2b assess the impact of the identified pain points on travelers' emotions. Building upon a classification of pain points into information, performance, and hospitality themes, Study 3 further examines how smart service solutions, as new technologies, can address and resolve these pain points, ultimately enhancing the customer experience (CX). By accomplishing these objectives, our work contributes a comprehensive classification scheme for experiential pain points in complex customer journeys to the academic discourse on customer journeys. Furthermore, it establishes a connection to the emerging field of research on the impact of smart service solutions on the CX.
Preoperative detection of lymphovascular invasion in rectal cancer using intravoxel incoherent motion imaging based on radiomics
Authors: Wong Chinting , Liu Tong , Zhang Chunyu , Li Mingyang , Zhang Huimao , Wang Quan , Fu Yu 
Published: November 2023

AbstractBackgroundLymphovascular invasion (LVI) status plays an important role in treatment decision‐making in rectal cancer (RC). Intravoxel incoherent motion (IVIM) imaging has been shown to detect LVI; however, making better use of IVIM data remains an important issue that needs to be discussed.PurposeWe proposed to explore the best way to use IVIM quantitative parameters and images to construct radiomics models for the noninvasive detection of LVI in RC.MethodsA total of 83 patients (LVI negative (LVI‐): LVI positive (LVI+) = 51:32) with postoperative pathology‐confirmed LVI status in RC were divided into a training group (n = 58) and a validation group (n = 25). Images were acquired from a 3.0 Tesla machine, including oblique axial T2 weighted imaging (T2WI) and IVIM with 11 b values. The ADC, D, D* and f values were measured on IVIM maps. The ROIs of tumors were delineated on T2WI, DWI, ADCmap, and Dmap images, and three mapping methods were used: ROIs_mapping from DWI, ROIs_mapping from ADCmap, and ROIs_mapping from Dmap. Three‐dimensional radiomics features were extracted from the delineated ROIs. Multivariate logistic regression was used for radiomics feature selection. Radiomics models based on different mapping methods were developed. Receiver operating characteristic (ROC) curves, calibration, and decision curve analyses (DCA) were used to evaluate the performance of the models.ResultsModel B, which was constructed with radiomics features from ADCmap, Dmap and fmap by “ROIs_mapping from DWI” and T2WI (AUC 0.894), performed better than other models based on single sequence (AUC 0.600‐0.806) and even better than Model A, which was based on “ROIs_mapping from ADC” and T2WI (AUC 0.838). Furthermore, an integrated model was constructed with Model B and the IVIM parameter (f value) with an AUC of 0.920 (95% CI: 0.820‐1.000), which was higher than that of Model B, in the validation group.ConclusionsThe integrated model incorporating the radiomics features and IVIM parameters accurately detected LVI of RC. The “ROIs_mapping from DWI” method provided the best results.