bluuebunny/crossref_metadata_2025_split huggingface dataset:
Separation of ethylene glycol, 1,2‐butanediol and 1,2‐propanediol with azeotropic distillation
Authors: Wang Jia , Shen Rongchun , Cao Yueqiang , Li Wei , Zhou Jinghong 
Published: November 2022

Abstract1,2‐butanediol (1,2‐BDO) and 1,2‐propanediol (1,2‐PDO) are inevitably side produced in the ethylene glycol (EG) production processes from non‐petroleum routes, but are very difficult to separate by the ordinary distillation method because of the closeness of their boiling temperatures to EG, thus compromise the economy of these processes. The azeotropic distillation process using 1‐octanol (CPO) as an entrainer to separate EG and 1,2‐BDO mixture with or without 1,2‐PDO was studied in this paper. Four binary vapour–liquid equilibrium data of EG‐1,2‐BDO, EG‐CPO, 1,2‐BDO‐CPO, and 1,2‐PDO‐CPO were measured using an Ellis equilibrium kettle and regressed with the thermodynamic model of non‐random two liquid to obtain the corresponding binary interaction parameters. On this basis, azeotropic distillations with CPO as an entrainer were designed to separate EG and 1,2‐BDO with or without 1,2‐PDO. The complete separation processes, including the azeotropic distillation and CPO recovery process consisting of extraction with H2O and subsequent distillation, were simulated and optimized with Aspen Plus for both the EG‐1,2‐BDO binary mixture and the EG‐1,2‐BDO‐1,2‐PDO ternary mixture. The simulation results show that the azeotropic distillation method with CPO as an entrainer can effectively separate the mixture of EG‐1,2‐BDO and EG‐1,2‐BDO‐1,2‐PDO, achieving EG of 99.90% purity with 99.98% recovery and 1,2‐BDO of 99.30% purity with 99.45% recovery for the binary mixture, and achieving EG of 99.90% purity with 99.80% recovery, 1,2‐BDO of 99.35% purity with 99.35% recovery, and 1,2‐PDO of 90.59% purity with 94.38% recovery for the ternary mixture. These processes are promising for industrial application and can significantly improve the economy of non‐petroleum EG production.
Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation
Authors: Deraet Xavier , Turek Jan , Alonso Mercedes , Tielens Frederik , Weckhuysen Bert M. , Calatayud Monica , De Proft Frank 
Published: November 2022

AbstractThe rapidly growing interest for new heterogeneous catalytic systems providing high atomic efficiency along with high stability and reactivity triggered an impressive progress in the field of single‐atom catalysis. Nevertheless, unravelling the factors governing the interaction strength between the support and the adsorbed metal atoms remains a major challenge. Based on periodic density functional theory (DFT) calculations, this paper provides insight into the adsorption of single late transition metals on a defect‐free anatase surface. The obtained adsorption energies fluctuate, with the exception of Pd, between −3.11 and −3.80 eV and are indicative of a strong interaction. Depending on the considered transition metal, we could attribute the strength of this interaction with the support to i) an electron transfer towards anatase (Ru, Rh, Ni), ii) s‐d orbital hybridisation effects (Pt), or iii) a synergistic effect between both factors (Fe, Co, Os, Ir). The driving forces behind the adsorption were also found to be strongly related to Klechkowsky's rule for orbital filling. In contrast, the deviating behaviour of Pd is most likely associated with the lower dissociation enthalpy of the Pd−O bond. Additionally, the reactivity of these systems was evaluated using the Fermi weighted density of states approach. The resulting softness values can be clearly related to the electron configuration of the catalytic systems as well as with the net charge on the transition metal. Finally, these indices were used to construct a model that predicts the adsorption strength of CO on these anatase‐supported d‐metal atoms. The values obtained from this regression model show, within a 95 % probability interval, a correlation of 84 % with the explicitly calculated CO adsorption energies.
Insight into the Key Factors in High Li+ Transference Number Composite Electrolytes for Solid Lithium Batteries
Authors: Jia Mengyang , Khurram Tufail Muhammad , Guo Xiangxin 
Published: November 2022

AbstractSolid lithium batteries (SLBs) have received much attention due to their potential to achieve secondary batteries with high energy density and high safety. The solid electrolyte (SE) is believed to be the essential material for SLBs. Among the recent SEs, composite electrolytes have good interfacial compatibility and customizability, which have been broadly investigated as promising contenders for commercial SLBs. The high Li+ transference number (t
) of composite electrolytes is critically important concerning the power/energy density and cycling life of SLBs, however, which is often overlooked. This Review presents a current opinion on the key factors in high t
composite electrolytes, including polymers, Li‐salts, inorganic fillers, and additives. Various strategies concerning providing a continuous pathway for Li‐ions and immobilizing anions via component interaction are discussed. This Review highlights the major obstacles hindering the development of high t
composite electrolytes and proposes future research directions for developing composite electrolytes with high t
.
Dioscin induces osteosarcoma cell apoptosis by upregulating ROS‐mediated P38 MAPK signaling
Authors: Zheng Gui‐zhou , Zhang Qi‐hao , Chang Bo , Xie Peng , Liao Hang , Du Shi‐xin , Li Xue‐dong 
Published: November 2022

AbstractOsteosarcoma is the most common primary malignant bone tumor in children and adolescents. Many patients with osteosarcoma readily develop resistance to chemotherapy and have an extremely dismal prognosis. Dioscin, a saponin, is known to exhibit potent anticancer activities and induce cellular death of a variety of cancer types. However, the inhibitory effect of dioscin on osteosarcoma cells and its underlying mechanisms have not been fully elucidated. We investigated the responses of human U2‐OS and MG63 osteosarcoma cells to dioscin with regard to proliferation, apoptosis, migration, and invasion, and studied the effect of dioscin on MAPK‐related proteins by western blot analysis assays. Dioscin inhibited osteosarcoma cell proliferation, migration, and invasion. Moreover, it induced osteosarcoma cell apoptosis via reactive oxygen species (ROS)‐dependent apoptotic signaling. N‐acetylcysteine, a reactive oxygen species inhibitor, suppressed dioscin‐induced apoptosis, indicating that ROS play an essential role in dioscin‐induced apoptosis. Western blot analysis assays showed that p38 MAPK was upregulated after dioscin treatment, and that dioscin induced apoptosis by upregulating ROS‐mediated p38 MAPK signaling. Our study suggests that dioscin possesses antitumor activities against human osteosarcoma cells, inhibits osteosarcoma cell proliferation, migration and invasion, and induces osteosarcoma cell apoptosis through upregulating ROS‐mediated p38 MAPK signaling. This study may provide a new therapeutic strategy and potential clinical applications for the treatment of osteosarcoma.
Labdane conjugates protect cardiomyocytes from doxorubicin‐induced cardiotoxicity
Authors: Cuadrado Irene , Oramas‐Royo Sandra , González‐Cofrade Laura , Amesty Ángel , Hortelano Sonsoles , Estévez‐Braun Ana , de las Heras Beatriz 
Published: November 2022

AbstractThe cardiovascular side effects associated with doxorubicin (DOX), a wide spectrum anticancer drug, have limited its clinical application. Therefore, to explore novel strategies with cardioprotective effects, a series of new labdane conjugates were prepared (6a–6c and 8a–8d) from the natural diterpene labdanodiol (1). These hybrid compounds contain anti‐inflammatory privileged structures such as naphthalimide, naphthoquinone, and furanonaphthoquinone. Biological activity of these conjugates against DOX‐induced cardiotoxicity was tested in vitro and the potential molecular mechanisms of protective effects were explored in H9c2 cardiomyocytes. Three compounds 6c, 8a, and 8b significantly improved cardiomyocyte survival, via inhibition of reactive oxygen species‐mediated mitogen‐activated protein kinase signaling pathways (extracellular signal‐regulated kinase and c‐Jun N‐terminal kinase) and autophagy mediated by Akt activation. Some structure–activity relationships were outlined, and the best activity was achieved with the labdane–furonaphthoquinone conjugate 8a having an N‐cyclohexyl substituent. The findings of this study pave the way for further investigations to obtain more compounds with potential cardioprotective activity.
Distribution of autoantibodies to insulinoma‐associated antigen‐2 and zinc transporter 8 in type 1 diabetes and latent autoimmune diabetes: A nationwide, multicentre, cross‐sectional study
Authors: Fan Wenqi , Nan Xixi , Peng Yiman , Li Xia , Xiang Yufei , Yan Xiang , Xie Zhiguo , Zhou Houde , Tang Xiaohan , Cheng Jin , Niu Xiaohong , Liu Jing , Ji Qiuhe , Ji Linong , Huang Gan , Zhou Zhiguang 
Published: November 2022

AbstractAimsThis study investigated insulinoma‐associated‐2 autoantibody (IA‐2A) and zinc transporter 8 autoantibody (ZnT8A) distribution in patients with type 1 diabetes (T1D) and latent autoimmune diabetes (LAD) and the autoantibodies' association with clinical characteristics and HLA‐DR‐DQ genes.Materials and MethodsThis cross‐sectional study recruited 17,536 patients with diabetes from 46 hospitals across China. A total of 189 patients with T1D and 58 patients with LAD with IA‐2A positivity, 126 patients with T1D and 86 patients with LAD with ZnT8A positivity, and 231 patients with type 2 diabetes (T2D) were selected to evaluate islet autoantibodies, clinical phenotypes, and HLA‐DR‐DQ gene frequency.ResultsIA‐2A was bimodally distributed in patients with T1D and LAD. Patients with low IA‐2A titre LAD had lower fasting C‐peptide (FCP) (p < 0.01), lower postprandial C‐peptide (PCP) (p < 0.001), and higher haemoglobin A1c (HbA1c) levels (p < 0.05) than patients with T2D. Patients with high IA‐2A titre LAD were younger than patients with low IA‐2A titre LAD (p < 0.05). Patients with low IA‐2A titre T1D had lower FCP (p < 0.01), lower PCP (p < 0.01), and higher HbA1c levels (p < 0.05) than patients with high IA‐2A titre LAD. HLA‐DR‐DQ genetic analysis demonstrated that the frequency of susceptible HLA haplotypes was higher in IA‐2A‐positive patients (p < 0.001) than in patients with T2D. Patients with high ZnT8A titre LAD had lower FCP (p = 0.045), lower PCP (p = 0.023), and higher HbA1c levels (p = 0.009) and a higher frequency of total susceptible haplotypes (p < 0.001) than patients with low ZnT8A titre LAD.ConclusionsIA‐2A in patients with T1D and LAD was bimodally distributed, and the presence of IA‐2A could demonstrate partial LAD clinical characteristics. ZnT8A titre had a certain predictive value for islet functions in patients with LAD.
Role of renal tubular programed cell death in diabetic kidney disease
Authors: Zhou Xiaojun , Xu Chunmei , Dong Jianjun , Liao Lin 
Published: November 2022

AbstractThe pathogenic mechanism of diabetic kidney disease (DKD) is involved in various functions; however, its inadequate characterisation limits the availability of effective treatments. Tubular damage is closely correlated with renal function and is thought to be the main contributor to the injury observed in early DKD. Programed cell death (PCD) occurs during the biological development of the living body. Accumulating evidence has clarified the fundamental role of abnormalities in tubular PCD during DKD pathogenesis. Among PCD types, classical apoptosis, autophagic cell death, and pyroptosis are the most studied and will be the focus of this review. Our review aims to elucidate the current knowledge of the mechanism of DKD and the potential therapeutic potential of drugs targeting tubular PCD pathways in DKD.
Development of ventricular trabeculae affects electrical conduction in the early endothermic heart
Authors: Olejnickova Veronika , Hamor Peter Uriel , Janacek Jiri , Bartos Martin , Zabrodska Eva , Sankova Barbora , Kvasilova Alena , Kolesova Hana , Sedmera David 
Published: November 2022

AbstractBackgroundThe ventricular trabeculae play a role, among others, in the impulse spreading in ectothermic hearts. Despite the morphological similarity with the early developing hearts of endotherms, this trabecular function in mammalian and avian embryos was poorly addressed.ResultsWe simulated impulse propagation inside the looping ventricle and revealed delayed apical activation in the heart with inhibited trabecular growth. This finding was corroborated by direct imaging of the endocardial surface showing early activation within the trabeculae implying preferential spreading of depolarization along with them. Targeting two crucial pathways of trabecular formation (Neuregulin/ErbB and Nkx2.5), we showed that trabecular development is also essential for proper conduction patterning. Persistence of the slow isotropic conduction likely contributed to the pumping failure in the trabeculae‐deficient hearts.ConclusionsOur results showed the essential role of trabeculae in intraventricular impulse spreading and conduction patterning in the early endothermic heart. Lack of trabeculae leads to the failure of conduction parameters differentiation resulting in primitive ventricular activation with consequent impact on the cardiac pumping function.
Adaptations of cognitive remediation therapy for adolescents with anorexia nervosa for delivery via telehealth
Authors: Orloff Natalia C. , McGinley Kate , Lenz Katrina , Mack Amy S. , Timko C. Alix 
Published: November 2022

AbstractObjectiveThe COVID‐19 pandemic hastened a transition to treatment delivery via telehealth. While barriers still exist, the increased uptake of telehealth has the potential to increase access to mental health treatment for all diagnoses, including eating disorders. Delivery of evidence‐based treatment as well as adjunctive treatments, including those that are hard to find in‐person, have been modified to virtual format to increase accessibility and allow for continuity of care for adolescents with anorexia nervosa.MethodWe describe how to modify and deliver Cognitive Remediation Therapy for youth with anorexia nervosa (CRT‐AN) via a telehealth platform. Preliminary and practical guidance for best practice for both group and individual delivery is established.ResultsWith minimal modifications, CRT‐AN can be delivered via telehealth for both individual and group delivery. More disengagement in group delivery was noted; however, overall application of the treatment via a remote platform was observed.DiscussionAs more treatment moves to a telehealth format, highlighting how an adjunctive treatment like CRT‐AN can combined with other treatments in a telehealth format has the potential to increase research in its implementation and furthermore increase its dissemination.Public SignificanceCognitive Remediation Therapy for Anorexia Nervosa (CRT‐AN) requires significant manipulation of materials and supplementary human guidance. Suggestions for how to modify CRT‐AN for remote delivery via telehealth are provided. Modifications grew out of immediate changes made during the beginning of the COVID‐19 pandemic and can be used to inform changes therapists and programs can make to continue to or begin to use CRT‐AN in a remote fashion.
Internal vertebral morphology of bony fishes matches the mechanical demands of different environments
Authors: Baxter Dana , Cohen Karly E. , Donatelli Cassandra M. , Tytell Eric D. 
Published: November 2022

AbstractFishes have repeatedly evolved characteristic body shapes depending on how close they live to the substrate. Pelagic fishes live in open water and typically have narrow, streamlined body shapes; benthic and demersal fishes live close to the substrate; and demersal fishes often have deeper bodies. These shape differences are often associated with behavioral differences: pelagic fishes swim nearly constantly, demersal fishes tend to maneuver near the substrate, and benthic fishes often lie in wait on the substrate. We hypothesized that these morphological and behavioral differences would be reflected in the mechanical properties of the body, and specifically in vertebral column stiffness, because it is an attachment point for the locomotor musculature and a central axis for body bending. The vertebrae of bony fishes are composed of two cones connected by a foramen, which is filled by the notochord. Since the notochord is more flexible than bony vertebral centra, we predicted that pelagic fishes would have narrower foramina or shallower cones, leading to less notochordal material and a stiffer vertebral column which might support continuous swimming. In contrast, we predicted that benthic and demersal fishes would have more notochordal material, making the vertebral column more flexible for diverse behaviors in these species. We therefore examined vertebral morphology in 79 species using micro‐computed tomography scans. Six vertebral features were measured including notochordal foramen diameter, centrum body length, and the cone angles and diameters for the anterior and posterior vertebral cones, along with body fineness. Using phylogenetic generalized least squares analyses, we found that benthic and pelagic species differed significantly, with larger foramina, shorter centra, and larger cones in benthic species. Thus, morphological differences in the internal shape of the vertebrae of fishes are consistent with a stiffer vertebral column in pelagic fishes and with a more flexible vertebral column in benthic species.
The rapid appearance of homostyly in a cultivated distylous population of Primula forbesii
Authors: Liu Cai‐Lei , Jia Yin , Li Yi‐Feng , Xiang Yuan‐Fen , Pan Yuan‐Zhi , Liu Qing‐Lin , Ma Ke‐Hang , Yin Xian‐Cai 
Published: November 2022

AbstractEvolutionary breakdown from rigorous outbreeding to self‐fertilization frequently occurs in angiosperms. Since the pollinators are not necessary, self‐compatible populations often reduce investment in floral display characteristics and pollination reward. Primula forbesii is a biennial herb with distribution restricted to southwest China; it was initially a self‐incompatible distylous species, but after 20 years of artificial domestication, homostyly appeared. This change in style provides an ideal material to explore the time required for plant mating systems to adapt to new environmental changes and test whether flower attraction has reduced following transitions to selfing. We did a survey in wild populations of P. forbesii where its seeds were originally collected 20 years ago and recorded the floral morph frequencies and morphologies. The floral morphologies, self‐incompatibility, floral scent, and pollinator visitation between distyly and homostyly were compared in greenhouse. Floral morph frequencies of wild populations did not change, while the cultivated population was inclined to L‐morph and produced homostyly. Evidence from stigma papillae and pollen size supports the hypothesis that the homostyly possibly originated from mutations of large effect genes in distylous linkage region. Transitions to self‐compatible homostyly are accompanied by smaller corolla size, lower amounts of terpenoids, especially linalool and higher amounts of fatty acid derivatives. The main pollinators in the greenhouse were short‐tongued Apis cerana. However, homostyly had reduced visiting frequency. The mating system of P. forbesii changed rapidly in just about 20 years of domestication, and our findings confirm the hypothesis that the transition to selfing is accompanied by decreased flower attraction.
Synthesis of Isoxazolidine by Tandem CuAAC/Ring Cleavage/5‐endo‐trig Cyclization
Authors: Luo Danyang , Zhang Hongyi , Yi Wenxin , Li Guanrong , Chen Lanmei , Yang Weiguang 
Published: November 2022

AbstractCopper‐catalyzed transformations of oxime ethers and sulfonyl azides were carried out to efficiently afford isoxazolidine. The reaction involved the tandem CuAAC/ring cleavage/rare 5‐endo‐trig cyclization procedures under mild condition. This methodology appears quite flexible and offers a capacity to generate the 2‐vinyl isoxazolidine products.
Impact ofSalmonellagenome rearrangement on gene expression
Authors: Waters Emma V. , Tucker Liam A. , Ahmed Jana K. , Wain John , Langridge Gemma C. 
Published: November 2022

AbstractIn addition to nucleotide variation, many bacteria also undergo changes at a much larger scale via rearrangement of their genome structure (GS) around long repeat sequences. These rearrangements result in genome fragments shifting position and/or orientation in the genome without necessarily affecting the underlying nucleotide sequence. To date, scalable techniques have not been applied to GS identification, so it remains unclear how extensive this variation is and the extent of its impact upon gene expression. However, the emergence of multiplexed, long-read sequencing overcomes the scale problem, as reads of several thousand bases are routinely produced that can span long repeat sequences to identify the flanking chromosomal DNA, allowing GS identification. Genome rearrangements were generated in Salmonella enterica serovar Typhi through long-term culture at ambient temperature. Colonies with rearrangements were identified via long-range PCR and subjected to long-read nanopore sequencing to confirm genome variation. Four rearrangements were investigated for differential gene expression using transcriptomics. All isolates with changes in genome arrangement relative to the parent strain were accompanied by changes in gene expression. Rearrangements with similar fragment movements demonstrated similar changes in gene expression. The most extreme rearrangement caused a large imbalance between the origin and terminus of replication and was associated with differential gene expression as a factor of distance moved toward or away from the origin of replication. Genome structure variation may provide a mechanism through which bacteria can quickly adapt to new environments and warrants routine assessment alongside traditional nucleotide-level measures of variation.
18F‐fludeoxyglucose positron emission computed tomography (18F‐FDG‐PET/CT) versus 68Ga‐DOTATATE‐PET/CT in patients with head and neck cancer: Comparisons and implications for treatment
Authors: Patel Rusha , Marano Gary , Joseph Joe , Chung Jeffson , Plata Andrew , Vos Jeffrey A. 
Published: November 2022

AbstractBackgroundTumor‐specific molecular imaging in head and neck squamous cell carcinoma (HNSCC) is not well established. Somatostatin receptors (SSTRs) are found in solid tumors, including HNSCC. 68Ga‐DOTATATE, a commercially available radionuclide that binds SSTRs, may have utility in imaging HNSCC.MethodsPatients with HNSCC received pretreatment imaging with 18F‐FDG‐PET/CT and 68Ga‐DOTATATE. Imaging was compared for concordance. When available, surgical resection specimens were compared to pretreatment imaging findings. Historic HNSCC tumor specimens were assessed for both SSTR and p16/human papilloma virus (HPV) expression.ResultsTwenty patients were imaged. Fifteen had oropharyngeal cancer. Primary tumor site was concordant between imaging modalities for all patients. One of 45 lymph nodes was discordant. Retrospective specimen review showed a significant correlation with SSTR expression and HPV/p16 expression. No adverse events occurred.Conclusions68Ga‐DOTATATE imaging is safe and effective in HNSCC. SSTR expression may be increased in HPV‐mediated tumors. Targeted therapies to SSTR should be explored.