bluuebunny/crossref_metadata_2025_split huggingface dataset:
Merging Solid‐Phase Peptide Synthesis and Automated Glycan Assembly to Prepare Lipid‐Peptide‐Glycan Chimeras
Authors: Ricardo Manuel G. , Seeberger Peter H. 
Published: June 2023

AbstractBiomaterials with improved biological features can be obtained by conjugating glycans to nanostructured peptides. Creating peptide‐glycan chimeras requires superb chemoselectivity. We expedite access to such chimeras by merging peptide and glycan solid‐phase syntheses employing a bifunctional monosaccharide. The concept was explored in the context of the on‐resin generation of a model α(1→6)tetramannoside linked to peptides, lipids, steroids, and adamantane. Chimeras containing a β(1→6)tetraglucoside and self‐assembling peptides such as FF, FFKLVFF, and the amphiphile palmitoyl‐VVVAAAKKK were prepared in a fully automated manner. The robust synthetic protocol requires a single purification step to obtain overall yields of about 20 %. The β(1→6)tetraglucoside FFKLVFF chimera produces micelles rather than nanofibers formed by the peptide alone as judged by microscopy and circular dichroism. The peptide amphiphile‐glycan chimera forms a disperse fiber network, creating opportunities for new glycan‐based nanomaterials.
Probability of malignancy and molecular alterations as determined by ThyroSeq v3 genomic classifier in Bethesda Category IV
Authors: Tjendra Youley , Kerr Darcy A. , Zuo Yiqin , Menendez Silvia Gra , Jorda Merce , Gomez‐Fernandez Carmen , Velez Torres Jaylou M. 
Published: June 2023

AbstractBackgroundThyroSeq molecular testing assesses the probability of malignancy (POM) in thyroid fine‐needle aspiration cytology (FNAC) with indeterminate cytology. The aim was to investigate whether Bethesda category IV (BIV) subcategories are associated with specific molecular alterations, molecular‐derived risk of malignancy (MDROM), and risk of malignancy (ROM).MethodsFNAC slides, associated ThyroSeq, version 3, Genomic Classifier results, and surgical follow‐up were retrieved for BIV nodules. Nodules were subcategorized as follicular neoplasm (FN) with or without cytologic atypia or oncocytic follicular neoplasm (OFN). The MDROM, ROM, and frequency of molecular alterations in FN and OFN were analyzed. p < .05 was considered significant.ResultsA total of 92 FNAC were identified and subcategorized into 46 FN (15 with and 31 without cytologic atypia) and 46 OFN. The benign call rate and the positive call rate were 49% and 51%, respectively. The MDROM in BIV was 34.3%, trending lower in OFN than in FN. RAS mutations were significantly more frequent in FN when compared to OFN (p = .02). Chromosomal copy number alterations were more often present in OFN than in FN (p < .01). On histologic follow‐up, ROM in OFN was trending lower than in FN (p = .1). The most common diagnosis in OFN was oncocytic adenoma, whereas follicular variant papillary thyroid carcinoma was most common in FN.ConclusionsThe MDROM and ROM were trending lower in OFN compared with FN, and the molecular alterations differed between OFN and FN subcategories.
Interfacial Engineering of a PCBM/AZO Electron Transport Bilayer for Efficient and Stable Inverted Perovskite Solar Cells
Authors: Ali Usman , Javed Sofia , Qureshi Akbar Ali , Akram Muhammad Aftab 
Published: June 2023

AbstractThe reduced hysteresis index and low‐temperature processed fabrication of inverted p‐i‐n perovskite solar cells (PSC) have attracted substantial attraction for achieving higher photovoltaic performance through interfacial engineering. Despite having certain limitations, fullerene‐based electron transport layers have been used frequently utilized in mixed halide inverted perovskite solar cells. The energy level mismatch between PCBM and metal electrode creates a hindrance in efficient electron extraction and thus a limiting factor in attaining higher device performances. In this work, we report an efficient interlayer of aluminum‐doped zinc oxide (AZO) nanoparticles in‐between PCBM and the metal electrode to suppress interfacial recombination. The PCBM/AZO electron transport bilayer can effectively mitigate the imperfections of the PCBM layer alone. The PCBM/AZO electron transport bilayer with an optimal concentration of 2% Al dopant exhibited greatly improved power conversion efficiency (PCE) of 18.63%, VOC of 1.13 V, and FF of 73% with negligible hysteresis index of 0.04. Further, the optimal device exhibited remarkable stability by retaining 91% of the initial PCE after 200 hours confirming the suitable insertion of the AZO bilayer. The improved photovoltaic performance using PCBM/AZO bilayer can be attributed to higher electron transfer efficiency, suppressed interfacial recombination, and smooth surface morphology of AZO nanoparticles atop the PCBM layer.
Inorganic Composites Improving Conductivities of Solid Polymer Electrolytes for Lithium Batteries: A Review
Authors: Liu Qihao , Han Xianying , Wei Gaoyang , Zhang Hao , Li Yan , Li Jiangang , He Xiangming 
Published: June 2023

AbstractFor high‐energy‐density lithium batteries, the research and development of solid‐state electrolytes is crucial. Inorganic‐organic composite electrolytes with high mechanical strength and ionic conductivity of inorganic ceramic electrolytes, as well as high interfacial compatibility of polymer electrolytes, have become a current research hotspot. Based on a brief discussion of lithium dendrite growth and Li+ ion transport mechanisms, this article provides a comprehensive review of the nanostructure design and performance of inorganic‐organic composite electrolytes in recent years, and focuses on the mechanism of homogeneous monolayer composite electrolytes and heterogeneous multilayer composite electrolytes to enhance the performance of electrolytes. In addition, the future prospect of inorganic‐organic composite electrolytes is discussed, providing practical guidance for researchers in this field.
Experimental Models of Alcohol Use Disorder and Their Application for Pathophysiological Investigations
Authors: Vierkant Valerie , Xie Xueyi , Wang Xuehua , Wang Jun 
Published: June 2023

AbstractAlcohol use disorder (AUD) is a complex disorder characterized by compulsive alcohol use and a lack of control over alcohol intake. Several experimental methods using mouse models have been developed to improve research regarding this disorder. Mouse behavioral paradigms are advantageous in inducing alcohol dependence and evaluating alcohol intake, circumventing ethical issues, and increasing experimental control over human‐based experiments. These behavioral methods typically fall under one of two categories: forced exposure and voluntary consumption. This paper highlights two common paradigms used to study AUD in rodent models: one forced exposure method (use of a vapor inhalation system for alcohol exposure) and one voluntary consumption method (the two‐bottle choice procedure). The effectiveness and experimental validity of these behavioral paradigms for pathophysiological investigations of AUD and how they can be combined are also discussed, along with their individual strengths and weaknesses. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Vapor inhalation for exposure to alcoholBasic Protocol 2: Intermittent access two‐bottle choice procedure (acquisition)Basic Protocol 3: Intermittent access two‐bottle choice procedure (measurement)Alternate Protocol: Sucrose fading to encourage voluntary alcohol consumption
Robust Light Driven Enzymatic Oxyfunctionalization via Immobilization of Unspecific Peroxygenase
Authors: De Santis Piera , Wegstein Deborah , Burek Bastien O. , Patzsch Jacqueline , Alcalde Miguel , Kroutil Wolfgang , Bloh Jonathan Z. , Kara Selin 
Published: June 2023

AbstractUnspecific peroxygenases have attracted interest in synthetic chemistry, especially for the oxidative activation of C−H bonds, as they only require hydrogen peroxide (H2O2) instead of a cofactor. Due to their instability in even small amounts of H2O2, different strategies like enzyme immobilization or in situ H2O2 production have been developed to improve the stability of these enzymes. While most strategies have been studied separately, a combination of photocatalysis with immobilized enzymes was only recently reported. To show the advantages and limiting factors of immobilized enzyme in a photobiocatalytic reaction, a comparison is made between free and immobilized enzymes. Adjustment of critical parameters such as (i) enzyme and substrate concentration, (ii) illumination wavelength and (iii) light intensity results in significantly increased enzyme stabilities of the immobilized variant. Moreover, under optimized conditions a turnover number of 334,500 was reached.
Historical fire regimes and contemporary fire effects within sagebrush habitats of Gunnison Sage‐grouse
Authors: Simic Petar Z. , Coop Jonathan D. , Margolis Ellis Q. , Young Jessica R. , Lopez Manuel K. 
Published: June 2023

AbstractThe historical role of fire in sagebrush (Artemisia tridentata) landscapes remains poorly understood, yet is important to inform management and conservation of obligate species such as the threatened Gunnison Sage‐grouse (GUSG; Centrocercus minimus). We reconstructed fire histories from tree‐ring fire scars at sagebrush–forest ecotones (10 sites, 111 trees) to better understand the role of fire in sagebrush landscapes of the Upper Gunnison Basin (UGB), Colorado, and how fire may have changed following Euro‐American settlement. We assessed likely influences of historical fire by surveying plant composition and structure at 100 sagebrush sites with and without recent (2001–2020) fires. Tree‐ring fire scars revealed a history of repeated low‐severity fire at sagebrush–forest ecotones until 1892, followed by over a century without fire. Between 1684 and 1892, the mean fire interval (MFI) among sites averaged 49.6 years (ranging from 18.2 to 119 years). Fire over this period occurred synchronously at two or more sites on average every 23.6 years, potentially indicative of spread between sites. Most (70%) of the historical fires burned in the early growing season, consistent with times of strong wind. Recent burns exhibited reductions in sagebrush cover (5% vs. 25% in unburned sites) and concomitant increases in herbaceous cover (55% vs. 40%). These differences declined over time but persisted for at least two decades. Burned sites were dominated by native perennial grasses, forbs, and resprouting shrub species. Historically, such openings may have served as seasonal GUSG habitat. Our results indicate that parts of the UGB sagebrush landscapes were characterized historically by frequent fire and dynamic vegetation mosaics that included open, grassy patches. These findings support the use of prescribed fire to restore and maintain this ecological process and vegetation heterogeneity. However, the contemporary context for fire has changed and now includes substantially reduced, Endangered Species Act (ESA)‐listed GUSG populations, increased risk of non‐native plant invasion, and climate warming. These circumstances highlight new risks, information needs, and opportunities for key knowledge co‐production via management–research partnerships.
Computational (DFT) and Experimental (NMR) Study of the Chelation of an Iridium Hyperpolarization Transfer Catalyst by Amino Acids
Authors: Bouma Mathijs J. , Aspers Ruud L. E. G. , Tessari Marco , Rutjes Floris P. J. T. , Fraser Roan , Feiters Martin C. 
Published: June 2023

AbstractNon‐hydrogenative Para‐Hydrogen Induced Hyperpolarization (nhPHIP) is a Nuclear Magnetic Resonance (NMR) hyperpolarization technique which has experimentally been used to analyze complex biological samples containing amino acids using the Ir‐IMes hyperpolarization transfer catalyst. A computational study based on Density Function Theory (DFT) was performed on all relevant stereoisomers of [Ir(H)2(IMes)(AA)(Py)] (with AA=glycine, alanine, valine; Py=pyridine), for which R/S chirality and orientation of the amino acid chelation (C/A) were considered. A total of 30 structures were calculated comprising of 6 stereoisomers for achiral glycine, and 12 stereoisomers for each of the chiral amino acids. The abundances derived from the DFT energies confirmed the trends observed in thermal (non‐hyperpolarized) NMR experiments. Additionally, theoretical calculations of electronic (Wiberg bond indices, Natural Bond Orders, Frontier Orbital Analysis), bond dissociation energies, transition states, and activation energies related to interconversion between binding modes, and steric factors (Solid angle) were performed to provide detailed explanations for NMR experimental observations.
Numerical thermal–hydraulic analysis and multiobjective design optimization of a printed circuit heat exchanger with airfoil overlap fin channels
Authors: Kuo Geng‐Chun , Xie Jun‐Yu , Chueh Chih‐Che 
Published: June 2023

AbstractIn this study, we numerically investigated the performance of a printed circuit heat exchanger (PCHE) featuring National Advisory Committee for Aeronautics (NACA) 0020 airfoil overlap fins integrated into its straight flow channels. Numerical simulations were performed by solving Navier–Stokes and energy equations to analyze liquid water at temperatures ranging from 30 to 90°C, which is possible for use with a geothermal heating system, for example. The optimization of the PCHE airfoil fin geometry is performed using nondominated sorting genetic algorithm II (NSGA‐II) with three design features: front, back, and overlap lengths. The effectiveness and pressure drop of the PCHE are evaluated as two objective functions. The present study shows that, when a Reynolds number falls between 1088 and 5000, the overlapping airfoils exhibit lower pressure drops and higher convective heat flux relative to the separate airfoils, and an increase in overlap length always decreases the pressure drop positively. It is also found that using overlapping airfoils of front length of 0.1 mm, back length of 0.119 mm, and overlap length of 0.203 mm leads to almost the same effectiveness and a 22% decrease in pressure drop (which is generally believed to preferably maintain the high heat transfer performance and minimize pressure drop, as a favorable design), compared to a base design of the airfoils with front and back lengths of 0.2 mm and an overlap length of 0.1 mm.
Elucidating facile biosorptive eradication of enrofloxacin: Equilibrium, kinetics, reusability, cost estimation, and safe disposal
Authors: Das Sharma Debasish , Show Sumona , Barman Sanghamitra , Halder Gopinath 
Published: June 2023

AbstractIn the current investigation, superheated steam activated green coconut shell (Cocos nucifera) biochar (PAGCSB) has been used in sorptive expulsion of the pharmaceutical micro‐pollutant enrofloxacin (ENX) from water. Through a number of progressive studies in batch sorption process, the influence of some crucial parameters are evaluated toward efficacious remediation of ENX laden aqueous media by PAGCSB. The parameters studied are: contact time (5–20 h); mixing intensity (100–190 rpm); pH (1–9); initial ENX concentration (5–35 mg/L); temperature (15–40°C); and biosorbent dosage (2–5 g/L). The maximum ENX removal is 91.92% by using ENX initial concentration 20 mg/L; pH 7; temperature 30°C; biosorbent dose 4 g/L; stirring speed 150 rpm; and contact period 16 h. The repeated usability of spent biochar has been assessed and found to be 69.91% even after the fifth cycle. The pseudo‐second order kinetic model provided the best fit to the kinetic data. The Langmuir model showed the finest suit to the isotherm data. Adsorption capacity of the biosorbent was observed to be 2.32 mg/g. The current study on biosorptive riddance of ENX revealed a good level of randomness in the thermodynamic process which is found to be exothermic in nature. A wide‐scale utilization of the developed biosorbent has been well‐substantiated by the cost estimation. Finally, the safe disposal of spent biosorbent has been studied in accordance with the World Health Organization safety guidelines. Hence, superheated steam activated green coconut shell derived biochar could be a cost‐effective and competent sorbent material for ENX eradication from contaminated water.
Determinants of food security status of household in west Gojjam zone, Ethiopia
Authors: Worku Chernet 
Published: June 2023

AbstractFood security is based on a variety of factors, including how well agricultural production is doing, how much food we import, how many people are employed in the food industry, what public policies are put in place to improve food production strategy and food security of the household. Food is important for human beings so that everyone can have enough of it. A lack of food in the long term can lead to people becoming hungry and starving, which can be dangerous. There are many ways to boost food production and improve self‐sufficiency and food security. One way is to develop small‐scale irrigation schemes. In this study, multistage sampling was used to collect data from 400 sample rural households, and results showed that age, family size, market information, and price of the product are significant at 1% significance level, along with the non‐farm income, and irrigation participation at 5% significance level. It was also found that education is significant at 10% significance level. Governments and relevant parties need to work together to address the issues of food security by disseminating current data on the irrigation industry to boost the agricultural product, enhance irrigation facilities, and provide extension agents with training to increase the level of food security in the country.
Widespread intra‐axonal signal fraction abnormalities in bipolar disorder from multicompartment diffusion MRI: Sensitivity to diagnosis, association with clinical features and pharmacologic treatment
Authors: Canales‐Rodríguez Erick Jorge , Verdolini Norma , Alonso‐Lana Silvia , Torres María Llanos , Panicalli Francesco , Argila‐Plaza Isabel , Rodriguez‐Cano Elena , Montoro Irene , Garcia‐Ruiz Beatriz , Jimenez Esther , Varo Cristina , Lluch Anna , del Mar Bonnin Caterina , Maluf Silvana , Pujol Marc , Guarner Núria Jaurrieta , Sarró Salvador , Vieta Eduard , Vilella Elisabet , Salvador Raymond , Pomarol‐Clotet Edith 
Published: June 2023

AbstractDespite diffusion tensor imaging (DTI) evidence for widespread fractional anisotropy (FA) reductions in the brain white matter of patients with bipolar disorder, questions remain regarding the specificity and sensitivity of FA abnormalities as opposed to other diffusion metrics in the disorder. We conducted a whole‐brain voxel‐based multicompartment diffusion MRI study on 316 participants (i.e., 158 patients and 158 matched healthy controls) employing four diffusion metrics: the mean diffusivity (MD) and FA estimated from DTI, and the intra‐axonal signal fraction (IASF) and microscopic axonal parallel diffusivity (Dpar) derived from the spherical mean technique. Our findings provide novel evidence about widespread abnormalities in other diffusion metrics in BD. An extensive overlap between the FA and IASF results suggests that the lower FA in patients may be caused by a reduced intra‐axonal volume fraction or a higher macromolecular content in the intra‐axonal water. We also found a diffuse alteration in MD involving white and grey matter tissue and more localised changes in Dpar. A Machine Learning analysis revealed that FA, followed by IASF, were the most helpful metric for the automatic diagnosis of BD patients, reaching an accuracy of 72%. Number of mood episodes, age of onset/duration of illness, psychotic symptoms, and current treatment with lithium, antipsychotics, antidepressants, and antiepileptics were all significantly associated with microstructure abnormalities. Lithium treatment was associated with less microstructure abnormality.
Investigating the role of Zibai ointment on apoptosis‐related factors Bcl‐2 and Bax in wound healing after anal fistula surgery
Authors: Cai Er‐Wei , Zhao Cheng , Wang Wei‐Juan , Xu Zhen‐Peng , Lin Feng 
Published: June 2023

AbstractObjectiveIn this study, we investigated the impact of Zibai ointment on wound healing by analyzing the expression levels of two key apoptosis‐related factors—B‐cell lymphoma 2 (Bcl‐2) and Bcl‐2‐associated X protein (Bax), in patients following surgery for anal fistula.MethodsWe included 90 patients with anal fistulas who were treated in the People's Hospital Affiliated to Fujian University of Traditional Chinese Medicine. Patients were randomly assigned to receive treatment with Zibai ointment (n = 45) or petroleum jelly (n = 45). The levels of apoptosis‐related factors Bcl‐2 and Bax were evaluated using enzyme‐linked immunosorbent assay (ELISA), while cell apoptosis was assessed using Terminal deoxynucleotidyl transferase (TdT) dUTP Nick‐End Labeling (TUNEL) assay.ResultsThe results of ELISA showed that on Day 21 after the surgery, the levels of Bcl‐2 and Bax in the Zibai ointment group were significantly different compared to the petroleum jelly group, with values of (60.11 ± 1.31) ng/mL and (7.05 ± 0.01) versus (83.79 ± 1.74) ng/mL and (6.00 ± 0.05) ng/mL, respectively (p < .05). Furthermore, light microscopy revealed a large number of apoptotic cells within the field of vision 14 days postsurgery in the Zibai ointment group, and the healing time in the Zibai ointment group was significantly different from that in the petroleum jelly group (p < .05).ConclusionWe found that Zibai ointment effectively promoted wound healing in patients following anal fistula surgery, possibly by regulating Bcl‐2 and Bax apoptosis‐related factors.
A phase Ia/Ib study of novel anti‐ErbB3 monoclonal antibody, barecetamab (ISU104) in refractory solid cancers and monotherapy or in combination with cetuximab in recurrent or metastatic head and neck cancer
Authors: Seo Seyoung , Keam Bhumsuk , Shin Seong Hoon , Chae Yee Soo , Kim Tae Min , Park Lee Chun , Hong Seung‐Beom , Ahn Myung‐Ju , Kim Sung‐Bae 
Published: June 2023

AbstractWe evaluated the safety, tolerability, pharmacokinetics and antitumor activity of barecetamab monotherapy and combination cetuximab therapy in patients with advanced solid cancers, especially head and neck cancer (HNC). Part 1 was a 3 + 3 dose‐escalation study in which 15 patients received barecetamab at 1, 3, 5, 10 and 20 mg/kg intravenously (IV) on days 1 and 28 and weekly in patients with advanced solid cancer. Part 2 was a dose‐expansion study including two patient groups with advanced HNC, including six patients receiving barecetamab at 20 mg/kg IV every 3 weeks and 12 patients receiving barecetamab and cetuximab (400 mg/m2 on day 1 followed by 250 mg/m2 every week). No dose‐limiting toxicities (DLTs) were observed. Maximum serum target engagement was reached with trough levels of doses ≥3 mg/kg IV weekly. Common adverse drug reactions were diarrhea, stomatitis, dermatitis acneiform and decreased appetite. One durable complete response of more than 17 months was observed, and the overall response and disease control rates were 36.4% (4/11) and 81.1% (9/11), respectively, in the combination therapy group. In conclusion, DLT was not observed in barecetamab at 1 to 20 mg/kg. The recommended phase II dose was determined to be 20 mg/kg triweekly. Barecetamab and in cetuximab combination was well tolerated and demonstrated meaningful antitumor effects.