bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dynamic Structure and Ion Solvation in Associated Liquids
Authors: Breitschwerdt K. G. , Wolz H. 
Published: August 2023

AbstractThe dynamic n‐state model is based on time‐dependent transport coefficients and applied to the ultrasonic absorption in solutions of simple ions in water, liquid ammonia, and methanol. The absorption measurements were made over a wide range of temperatures at frequencies between 5 and 100 MHz. The characteristic differences of the thermodynamic parameters, the relaxation times, the molar volumes, and the solvation numbers are discussed for the liquids and ions investigated.
Co‐designing an online treatment decision aid for men with low‐risk prostate cancer: Navigate
Authors: Schofield Penelope , Hyatt Amelia , White Alan , White Fiona , Frydenberg Mark , Chambers Suzanne , Gardiner Robert , Murphy Declan G. , Cavedon Lawrence , Millar Jeremy , Richards Natalie , Murphy Barbara , Juraskova Ilona 
Published: August 2023

AbstractObjectivesTo develop an online treatment decision aid (OTDA) to assist patients with low‐risk prostate cancer (LRPC) and their partners in making treatment decisions.Patients and methodsNavigate, an OTDA for LRPC, was rigorously co‐designed by patients with a confirmed diagnosis or at risk of LRPC and their partners, clinicians, researchers and website designers/developers. A theoretical model guided the development process. A mixed methods approach was used incorporating (1) evidence for essential design elements for OTDAs; (2) evidence for treatment options for LRPC; (3) an iterative co‐design process involving stakeholder workshops and prototype review; and (4) expert rating using the International Patient Decision Aid Standards (IPDAS). Three co‐design workshops with potential users (n = 12) and research and web‐design team members (n = 10) were conducted. Results from each workshop informed OTDA modifications to the OTDA for testing in the subsequent workshop. Clinician (n = 6) and consumer (n = 9) feedback on usability and content on the penultimate version was collected.ResultsThe initial workshops identified key content and design features that were incorporated into the draft OTDA, re‐workshopped and incorporated into the penultimate OTDA. Expert feedback on usability and content was also incorporated into the final OTDA. The final OTDA was deemed comprehensive, clear and appropriate and met all IPDAS criteria.ConclusionNavigate is an interactive and acceptable OTDA for Australian men with LRPC designed by men for men using a co‐design methodology. The effectiveness of Navigate in assisting patient decision‐making is currently being assessed in a randomised controlled trial with patients with LRPC and their partners.
Quantification and holistic quality evaluation of Wulingzhi extract by UHPLC–Q‐Orbitrap–HRMS coupled with chemometric approaches
Authors: Wang Anqi , Li Zheng , Wang Jinghui , Liu Haolong , Fu Xintong , Chen Yougen , Guo Hongzhu 
Published: August 2023

AbstractThe excreta of Trogopterus xanthipes (“Wulingzhi” in Chinese, WLZ) is a well‐known traditional Chinese medicine. It has been used for centuries to treat amenorrhea, menstruation and postpartum abdominal pain. However, a systematic quality study on WLZ chemical markers has yet to be conducted. This study aimed to establish an ultra‐high‐performance liquid chromatography coupled with a hybrid quadruple extraction Orbitrap high‐resolution mass spectrometry (UHPLC–Q‐Orbitrap–HRMS) method for the simultaneous quantitative determination of 20 compounds in 53 batches of WLZ; the method rapidly and sensitively determined the 20 plant‐ or animal‐derived compounds. Firstly, the proposed approach was validated to satisfy the method’s linearity, detection limits, precision, repeatability, stability and accuracy. Subsequently, multivariate analysis was used to identify correlations between the samples and feed, processing and regions. Finally, this method was used to further identify chemical markers for quality control in combination with chemometrics. This is the first report on pinusolide, betaine, hippuric acid, 4‐oxorentinoic acid, 15‐methoxypinusolidic acid and 4‐oxoisotrentinoin in WLZ; the quality of WLZ became homogeneous after processing with vinegar (V‐WLZ). Moreover, we screened for potential component markers, including uridine, allantoin, amentoflavone, hippuric acid, 3,4‐dihydroxybenzoic acid, pinusolide, quercetin and kaempferol. These results were practical and efficient for the chemical clarification of WLZ and V‐WLZ.
Safety and efficacy of neoadjuvant chemoradiotherapy with moderately hypofractionated intensity‐modulated radiotherapy for resectable pancreatic cancer: A prospective, open‐label, phase II study
Authors: Masui Toshihiko , Nagai Kazuyuki , Anazawa Takayuki , Kasai Yosuke , Yogo Akitada , Yoshimura Michio , Mizowaki Takashi , Uza Norimitsu , Fukuda Akihisa , Matsumoto Shigemi , Kanai Masashi , Isoda Hiroyoshi , Kawaguchi Yoshiya , Uemoto Shinji , Hatano Etsuro 
Published: August 2023

AbstractBackgroundResectable pancreatic cancer (RPC) is potentially resectable on admission, and the impact of neoadjuvant therapy on these tumors is controversial. Moreover, the safety and efficacy of neoadjuvant chemoradiotherapy with moderately hypofractionated intensity‐modulated radiation therapy (NACIMRT) for RPC have not been studied. Here, we conducted a phase II study to evaluate the safety and efficacy of hypofractionated NACIMRT for RPC.MethodsA total of 54 RPC patients were enrolled and treated according to the study protocol. We used moderately hypofractionated (45 Gy in 15 fractions) IMRT with gemcitabine to shorten the duration of radiotherapy and reduce gastrointestinal toxicity. The primary endpoint was overall survival (OS), and we subsequently analyzed the microscopically margin‐negative resection (R0) rate, disease‐free survival (DFS), and histologic effects and safety of NACIMRT.ResultsMedian OS for the cohort was 40.0 months. Forty‐two patients (77.8%) underwent pancreatectomy after NACIMRT. Median DFS was 20.3 months. The R0 resection rate was 95.2% (40/42) per protocol and 85.2% (46/54) for the cohort. There were no intervention‐related deaths during the study period. Local treatment response, as assessed by the CAP classification, showed no residual tumor in 4.8% of patients. Overall, 23.9% of patients experienced CTCAE grade 3 or 4 during NACIMRT. Adjuvant therapy was initiated in 88% of patients undergoing resection. Postoperative complications grade ≥3b on the Clavien–Dindo scale occurred in 4.8% of patients. CA19‐9 level at enrollment was an independent prognostic factor for OS and DFS.ConclusionsThis is the first prospective study of hypofractionated IMRT as neoadjuvant therapy for RPC. Hypofractionated NACIMRT for RPC could be safely introduced with a high induction rate of adjuvant chemotherapy, with an overall survival of 40.0 months.
Effect of 2‐methoxyestradiol treatment on early‐ and late‐stage breast cancer progression in a mouse model
Authors: Peta Kimberly T. , Durandt Chrisna , van Heerden Marlene B. , Joubert Anna M. , Pepper Michael S. , Ambele Melvin A. 
Published: August 2023

AbstractThe prevalence of breast cancer (BC) continues to increase and is the leading cause of cancer deaths in many countries. Numerous in vitro and in vivo studies have demonstrated that 2‐methoxyestradiol (2‐ME) has antiproliferative and antiangiogenic effects in BC, thereby inhibiting tumour growth and metastasis. We compared the effect of 2‐ME in early‐ and late‐stage BC using a transgenic mouse model—FVB/N‐Tg(MMTV‐PyVT)—of spontaneously development of aggressive mammary carcinoma with lung metastasis. Mice received 100 mg/kg 2‐ME treatment immediately when palpable mammary tumours were identified (early‐stage BC; Experimental group 1) and 28 days after palpable mammary tumours were detected (late‐stage BC; Experimental group 2). 2‐ME was administered via oral gavage three times a week for 28 days after initiation of treatment, whereas control mice received the vehicle containing 10% dimethyl sulfoxide and 90% sunflower oil for the same duration as the treatment group. Mammary tumours were measured weekly over the 28 days and at termination, blood, mammary and lung tissue were collected for analysis. Mice with a tumour volume threshold of 4000 mm3 were killed before the treatment regime was completed. 2‐ME treatment of early‐stage BC led to lower levels of mammary tumour necrosis, whereas tumour mass and volume were increased. Additionally, necrotic lesions and anti‐inflammatory CD163‐expressing cells were more frequent in pulmonary metastatic tumours in this group. In contrast, 2‐ME treatment of late‐stage BC inhibited tumour growth over the 28‐day period and resulted in increased CD3+ cell number and tumour necrosis. Furthermore, 2‐ME treatment slowed down pulmonary metastasis but did not increase survival of late‐stage BC mice. Besides late‐stage tumour necrosis, none of the other results were statistically significant. This study demonstrates that 2‐ME treatment has an antitumour effect on late‐stage BC, however, with no increase in survival rate, whereas the treatment failed to demonstrate any benefit in early‐stage BC.
Cost effectiveness of nonpharmacological prevention programs for diabetes: A systematic review of trial‐based studies
Authors: Xiong Yongyi , Huo Zhaohua , Wong Samuel Y. S. , Yip Benjamin H. K. 
Published: August 2023

AbstractTrial‐based economic value of prevention programs for diabetes is inexplicit. We aimed to review the cost‐effectiveness of nonpharmacological interventions to prevent type‐2 diabetes mellitus (T2DM) for high‐risk people. Six electronic databases were searched up to March 2022. Studies assessing both the cost and health outcomes of nonpharmacological interventions for people at high‐risk of T2DM were included. The quality of the study was assessed by the Consolidated Health Economic Evaluation Reporting Standards 2022 checklist. The primary outcome for synthesis was incremental cost‐effectiveness ratios (ICER) for quality‐adjusted life years (QALYs), and costs were standardized in 2022 US dollars. Narrative synthesis was performed, considering different types and delivery methods of interventions. Sixteen studies included five based on the US diabetes prevention program (DPP), six on non‐DPP‐based lifestyle interventions, four on health education, and one on screening plus lifestyle intervention. Compared with usual care, lifestyle interventions showed higher potential of cost‐effectiveness than educational interventions. Among lifestyle interventions, DPP‐based programs were less cost‐effective (median of ICERs: $27,077/QALY) than non‐DPP‐based programs (median of ICERs: $1395/QALY) from healthcare perspectives, but with larger decreases in diabetes incidence. Besides, the cost‐effectiveness of interventions was more possibly realized through the combination of different delivery methods. Different interventions to prevent T2DM in high‐risk populations are both cost‐effective and feasible in various settings. Nevertheless, economic evidence from low‐ and middle‐income countries is still lacking, and interventions delivered by trained laypersons and combined with peer support sessions or mobile technologies could be potentially a cost‐effective solution in such settings with limited resources.
Preparation of Nitrogen‐Doped Graphene with Hollow Nano‐Hemispheres from FexOy@Fe‐N‐GN: Towards High Capacity and Durable Anode for Li‐Ion Batteries by Chemical Modifications
Authors: Bayram Edip , Sungur Berkay 
Published: August 2023

AbstractThe development of high‐performance Li‐ion battery anodes is closely dependent on understanding the effect of chemical and physical properties of active materials played in the storage mechanism. In this study, mesoporous high surface area nitrogen‐doped graphene (N‐GN) and nitrogen‐doped graphene‐coated nano‐spherical FexOy containing composite (FexOy@Fe‐N‐GN) were synthesized by a bottom‐up solvothermal process using required starting materials. Acid leaching of FexOy@Fe‐N‐GN resulted in a highly microporous structure consisting of a hollow graphene nano‐hemisphere and a large basal plane monoblock structure with 63 % N‐doped graphene and 37 % graphitic N‐doped graphene (Fe‐N‐GN). While N‐GN and FexOy@Fe‐N‐GN exhibited 310 and 571 mAh g−1 reversible capacity, respectively, after 100 cycles, Fe‐N‐GN showed 940 mAh g−1 reversible capacity through >70 % diffusion‐controlled process with beneficially lower intercalation potential below ~0.25 V and 87 % capacity retention demonstrating the impact of the chemical composition and structural properties on the capacity of carbon‐based anodes.
Chiral TPE Foldamers in Macrocycles: Aggregation Enhanced Emission and Circularly Polarized Luminescence
Authors: Wang Yuxiang , Cui Liwen , Wang Yiran , Li Fei , Li Yunzhi , Meng Qi 
Published: August 2023

AbstractChiral macrocycles with circularly polarized luminescence (CPL) have attracted increasing attention due to the rigid structure, symmetrical chiral geometry and large luminescence dissymmetry factors (glum). However, most chiral macrocycles are more emissive in solutions but have weakened fluorescence quantum yields (ΦF) in aggregates, limiting their further application. In this paper, chiral macrocycle R/S‐PhTPE was synthesized by combining chiral macrocycle architectonics with Z‐o‐phenyltetraphenylethylene (PhTPE) foldamer. Enhanced solution state emission and characteristic aggregation enhanced emission (AEE) effect can be observed for R/S‐PhTPE due to the folded PhTPE conformation. Macrocycle immobilization and folded conformation endow PhTPE moiety with stable helical conformation. Most importantly, R/S‐PhTPE exhibits opposite CPL signals compared with common chiral TPEs, demonstrating the evident impact of folded conformation. This work reports the first and deep insights into the chiroptical properties of chiral PhTPE foldamers, and will provide a new strategy to tune ΦF and CPL signals of AIE active chiral macrocycles.
The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide
Authors: Cunha Ana V. , Havenith Remco W. A. , Van Alsenoy Christian , Blockhuys Frank 
Published: August 2023

AbstractThe surprising differences between the experimental solid‐state and calculated gas‐phase structures of 5‐oxo‐1,3,2,4‐dithiadiazole (Roesky's ketone, 1) and 1‐oxo‐1,2,4,3,5‐trithiadiazole (Roesky's sulfoxide, 2), identified and studied in a series of papers published between 2004 and 2010 but then never satisfactorily explained, have been revisited, making use of the more advanced computational possibilities currently available. The previous calculations’ considerable overestimations of the C−S and S−S bond lengths in 1 and 2, respectively, have been partly explained based on the results of periodic calculations and the application of Valence Bond (VB) Theory. In the case of 1, the crystal environment appears to stabilize a structure with a highly polarized C=O bond, which features a C−S bond with considerable double‐bond character – an effect which does not exist for the isolated molecule – explaining the much shorter bond in the solid state. For 2, a similar conclusion can be drawn for the S−S distance. For both compounds, though, packing effects are not the sole source of the differences: the inability of Density Functional Theory (DFT) to properly deal with the electronic structures of these apparently simple main‐group systems remains a contributing factor.
Impact of Truncation on Optoelectronic Properties of Azaborole Helicenes
Authors: Full Julian , Wildervanck Martijn J. , Dillmann Claudia , Panchal Santosh P. , Volland Daniel , Full Felix , Meerholz Klaus , Nowak‐Król Agnieszka 
Published: August 2023

AbstractHerein, we report configurationally stable singly‐truncated (ST) and structurally flexible doubly‐truncated (DT) helically chiral compounds derived from azabora[7]helicenes by a hypothetical removal of a single or two C=C double bonds. The singly‐truncated constitutional isomers were synthesized from either benzoisoquinoline (BIQ) or phenantherene building blocks and the corresponding biaryls in excellent yields to give azabora[5]helicenes with a pendant phenyl ring at a sterically hindered position. These systems highlight the electronic impact of the nitrogen donor substitution position. The compounds with a disrupted BIQ moiety (STN) possess remarkable photoluminescence quantum yields of up to 0.53 in the solid state and a blue emission in solution with dissymmetry factors of up to ca. 3×10−3. Upon cooling to 79 K all compounds exhibit phosphorescence with lifetimes of up to ca. 0.5 s. A methyl complex of azabora[7]helicene showing excellent configurational stability was used as a chiral inducer embedded in an emissive polymer (F8BT) to produce circularly polarized organic light emitting diodes with an electroluminescence dissymmetry factor gEL of up to 0.54.
Intraspecific trait variation and adaptability of Stipa krylovii: Insight from a common garden experiment with two soil moisture treatments
Authors: Liu Yulin , Fan Baijie , Gong Ziqing , He Luoyang , Chen Lei , Ren Anzhi , Zhao Nianxi , Gao Yubao 
Published: August 2023

AbstractUnderstanding patterns of intraspecific trait variation can help us understand plant adaptability to environmental changes. To explore the underlying adaptation mechanisms of zonal plant species, we selected seven populations of Stipa krylovii, a dominant species in the Inner Mongolia Steppe of China, and evaluated the effects of phenotypic plasticity and genetic differentiation, the effects of climate variables on population trait differentiation, and traits coordinated patterns under each soil moisture treatment. We selected seeds from seven populations of S. krylovii in the Inner Mongolia Steppe, China, and carried out a soil moisture (2) × population origin (7) common garden experiment at Tianjin City, China, and measured ten plant traits of S. krylovii. General linear analyses were used to analyze how soil moisture and population origin affected each trait variation, Mantel tests were used to analyze population trait differentiation—geographic distance (or climatic difference) relationships, regression analyses were used to evaluate trait‐climatic variable relationships, and plant trait networks (PTNs) were used to evaluate traits coordinated patterns. Both soil moisture and population origin showed significant effects on most of traits. Aboveground biomass, root‐shoot ratio, leaf width, specific leaf area, and leaf nitrogen (N) content were significantly correlated with climate variables under the control condition. Specific leaf area and leaf N content were significantly correlated with climate variables under the drought condition. By PTNs, the hub trait(s) was plant height under the control condition and were aboveground biomass, root length, and specific leaf area under the drought condition. This study indicates that both phenotypic plasticity and genetic differentiation can significantly affect the adaptability of S. krylovii. In addition, soil moisture treatments show significant effects on trait‐climate relationships and traits coordinated patterns. These findings provide new insights into the adaptive mechanisms of zonal species in the semiarid grassland region.
Morphological diversity and altitudinal differentiation of Aethopyga species
Authors: Lu Wenzhu , Shao Shimiao , Zu Lingling , Luo Xu , Duan Yubao 
Published: August 2023

AbstractThe morphological characteristics of birds are an important tool for studying their adaptation and evolution. The morphological evolution of a clade is not only constrained by the phylogenetic relationship, but also influenced by ecological factors and interspecific competition. Aethopyga is a group of small nectar‐eating birds with obvious sexual dimorphism. They have slender and decurved beaks, which reflect their unique diet and foraging mode. Traditional and geometric morphometrics were combined to characterize the body morphology and beak shape of six species of Aethopyga distributed in China. We aim to assess the roles of phylogeny, altitude, and species interactions to morphological evolution. The main distinguishing characteristic among these six species were overall body size, the ratio of body weight, culmen and tarsal length to body length, tail length and wing length, and beak shape (slender/straight vs. thick/decurved). Although these dimensions cannot distinguish all species, they can show a clear distribution trend, and there is a significant Mahalanobis distance between each pair of species. There were no significant phylogenetic signals in morphological traits. The results of PGLS analysis show that altitude is significantly correlated with log‐transformed tarsus length and beak‐shaped PC1 (slender/straight vs thick/decurved dimensions) across the six species analyzed. Mantel test shows that the distance matrix of beak morphological characteristics showed a significant correlation with the altitudinal distance matrix. The results indicated no significant phylogenetic signal in the morphological characteristics of six species. In terms of beak shape, species with greater overlap in elevation distribution have more similar morphological characteristics, that is, less morphological differentiation.
Alpha and beta diversity jointly drive the aboveground biomass in temperate and tropical forests
Authors: Yao Jie , Huang Jihong , Zang Runguo 
Published: August 2023

AbstractChanges in biodiversity often affect ecosystem functioning. However, most previous biodiversity and ecosystem functioning (BEF) studies have generally been limited to very small spatial grains. Thus, knowledge regarding the biodiversity–ecosystem functioning relationships across spatial scales is lacking. Moreover, the multiscale nature of biodiversity, and specifically β diversity (i.e., spatial heterogeneity in species composition) was still largely missing in BEF studies. Here, using the vegetation and functional trait data collected from four 6‐ha forest dynamics plots (FDPs) in temperate and tropical forests in China, we examine the scale‐dependent relationships between tree diversity and the aboveground biomass (AGB), as well as the roles of species spatial heterogeneity in determining the AGB. In tropical forests, the effect of species richness on AGB decreased with spatial grains, while functional dominance played a stronger role at larger spatial grains. In temperate forests, positive relationship between diversity and AGB occurred at all spatial grains, especially on smaller scales. In both temperate and tropical forests, β diversity was positively correlated with AGB, but weaker than α diversity in determining AGB. Overall, complementarity and selection hypothesis play dominant role in determining AGB in temperate and tropical forests, respectively. The roles of these underlying mechanisms are more pronounced with increasing spatial scales. β diversity, a hitherto underexplored facet of biodiversity, is likely to increase ecosystem functions by species spatial turnover and should not be neglected in BEF explorations. Our findings have practical implications for forest management and demonstrate that biotic heterogeneity plays an important positive role in ecosystem functioning.