bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conformationally Locked Cyclo[2]Dipyrrins Linked with Anthracene Subunits: Synthesis and Chiroptical Properties
Authors: Prasad Nambiar Anjana , Nag Probal , Mariam Ipe Ruth , Reddy Vennapusa Sivaranjana , Gokulnath Sabapathi 
Published: May 2023

AbstractHerein, we report the synthesis of anthracene‐containing twisted cyclo[2]dipyrrin 1 by utilizing a non‐planar building block, 1,5‐dipyrrylanthracene (1,5‐DPA). The non‐planar nature of the macrocycle enhanced the solubility and helped in structural characterization. Macrocycle 1 adopts a twisted ‘figure of eight’ conformation stabilized by strong intramolecular H‐bonding interactions and exists as a pair of helical enantiomers, as revealed by X‐ray crystallographic analysis. More importantly, the sterically locked structure enabled facile optical resolution using chiral HPLC. The (P,P) and (M,M) enantiomers show moderate chiroptical properties, such as absorption dissymmetry factors |gabs| in the order of 10−3, and luminescence dissymmetry factors |glum| of 3.8×10−3 and 2.9×10−3 at 702 nm, respectively.
Inhibitory effects of 190 compounds against SARS‐CoV‐2 Mpro protein: Molecular docking interactions
Authors: Souza Gabriella B. , Sens Larissa , Hammerschmidt Stefan J. , de Sousa Natália F. , de Carvalho Maryelle A. G. , Dos Santos Carlos V. D. , Tizziani Tiago , Moreira Monalisa A. , Pollo Luiz A. E. , Martin Erlon F. , Neto José S. S. , Biavatti Maique W. , de Assis Francisco F. , Ngadjui Bonaventure T. , Simo Ingrid K. , Ambassa Pantaléon , Scotti Marcus T. , Scotti Luciana , Braga Antonio L. , Schirmeister Tanja , Sandjo Louis P. 
Published: May 2023

AbstractCOVID‐19 has caused many deaths since the first outbreak in 2019. The burden on healthcare systems around the world has been reduced by the success of vaccines. However, population adherence and the occurrence of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) variants are still challenging tasks to be affronted. In addition, the newly approved drug presents some limitations in terms of side effects and drug interference, highlighting the importance of searching for new antiviral agents against SARS‐CoV‐2. The SARS‐CoV‐2 main protease (Mpro) represents a versatile target to search for new drug candidates due to its essential role in proteolytic activities responsible for the virus replication. In this work, a series of 190 compounds, composed of 27 natural ones and 163 synthetic compounds, were screened in vitro for their inhibitory effects against SARS‐CoV‐2 Mpro. Twenty‐five compounds inhibited Mpro with inhibitory constant values (Ki) between 23.2 and 241 µM. Among them, a thiosemicarbazone derivative was the most active compound. Molecular docking studies using Protein Data Bank ID 5RG1, 5RG2, and 5RG3 crystal structures of Mpro revealed important interactions identified as hydrophobic, hydrogen bonding and steric interactions with amino acid residues in the active site cavity. Overall, our findings indicate the described thiosemicarbazones as good candidates to be further explored to develop antiviral leads against SARS‐CoV‐2. Moreover, the studies showed the importance of careful evaluation of test results to detect and exclude false‐positive findings.
Exosomes derived from rapamycin‐treated 4T1 breast cancer cells induced polarization of macrophages to M1 phenotype
Authors: Ghalavand Majdedin , Moradi‐Chaleshtori Maryam , Dorostkar Ruhollah , Mohammadi‐Yeganeh Samira , Hashemi Seyed Mahmoud 
Published: May 2023

AbstractM2 macrophages are the most prevalent type in the tumor microenvironment and their polarization to M1 type can be used as a potential cancer immunotherapy. Here, we investigated the role of tumor microenvironment and particularly purified exosomes in M2 to M1 macrophage polarization. Rapamycin treatment on triple‐negative breast cancer cells (TNBC) was performed. Tumor cells‐derived exosomes (called texosomes) were isolated and characterized using scanning electron microscopy, transmission electron microscopy, dynamic light scattering, high‐performance liquid chromatography, Fourier transform infrared, and Western blot assays. M2 mouse peritoneal macrophages were treated with rapamycin or rapamycin‐texosome. Then, M1/M2 phenotype‐specific marker genes and proteins were measured to assess the degree of M2 to M1 polarization. Finally, nitric oxide (NO) production, phagocytosis, and efferocytosis assays were assessed to verify the functionality of the polarized macrophages. Purified rapamycin‐texosomes significantly increased the expression of the M1 markers (Irf5, Nos2, and CD86) and decreased M2 markers (Arg, Ym1, and CD206). In addition, the levels of M1‐specific cytokines tumor necrosis factor alpha and interleukin 1β (IL‐1β) were increased, whereas the levels of M2 specific cytokines IL‐10 and transforming growth factor beta were declined. Furthermore, texosome treatment increased NO concentration and phagocytosis and decreased efferocytosis indicating M1 polarization. These findings suggest rapamycin‐texosomes can induce M2 to M1 macrophages polarization as a potential immunotherapy for TNBC.
Using artificial neural networks to accelerate flowsheet optimization for downstream process development
Authors: Keulen Daphne , Hagen Erik van der , Geldhof Geoffroy , Le Bussy Olivier , Pabst Martin , Ottens Marcel 
Published: May 2023

AbstractAn optimal purification process for biopharmaceutical products is important to meet strict safety regulations, and for economic benefits. To find the global optimum, it is desirable to screen the overall design space. Advanced model‐based approaches enable to screen a broad range of the design‐space, in contrast to traditional statistical or heuristic‐based approaches. Though, chromatographic mechanistic modeling (MM), one of the advanced model‐based approaches, can be speed‐limiting for flowsheet optimization, which evaluates every purification possibility (e.g., type and order of purification techniques, and their operating conditions). Therefore, we propose to use artificial neural networks (ANNs) during global optimization to select the most optimal flowsheets. So, the number of flowsheets for final local optimization is reduced and consequently the overall optimization time. Employing ANNs during global optimization proved to reduce the number of flowsheets from 15 to only 3. From these three, one flowsheet was optimized locally and similar final results were found when using the global outcome of either the ANN or MM as starting condition. Moreover, the overall flowsheet optimization time was reduced by 50% when using ANNs during global optimization. This approach accelerates the early purification process design; moreover, it is generic, flexible, and regardless of sample material's type.
Surveillance, Epidemiology, and End Results database and propensity score matching analysis of postoperative radiotherapy for non‐malignant meningioma: A retrospective cohort study
Authors: Jiang Yong’an , Chen Peng , Liang JiaWei , Cai JiaHong , Zhang Yi , Fan HengYi , Yuan RaoRao , Zheng Wenxin , Cheng ShiQi , Zhang Yan 
Published: May 2023

AbstractBackgroundThe clinical effect of postoperative radiotherapy (PORT) in non‐malignant meningioma (NMM) has not been well explored.MethodsA total of 8629 patients with NMM (surgery alone group: n = 7716, postoperative radiotherapy group: n = 913) were obtained from the Surveillance, Epidemiology, and End Results database. Patient profiles were matched by 1:1 propensity score matching (PSM). Logistic regression analysis was performed to identify factors associated with PORT versus surgery alone (SA). Univariate and multivariate Cox regression analyses determined prognostic variables with overall survival (OS) in NMM. Subgroup analyses were performed with Cox proportional hazards regression models.ResultsAll the SA (n = 7716) and PORT (n = 913) groups were included. Women with PORT (66.3%) and SA (70.9%) were almost twice as likely as men, and tumors with benign behaviors in the SA group were almost seven times more frequent than those with malignant characteristics. We explored the demographic, clinical characteristics, and prognostic factors in NMM. Laterality, surgery, tumor size, diagnosis year, age, and tumor behavior were associated with PORT versus SA. Patients treated with PORT had better OS than those treated with SA (p = 0.03). After PSM, PORT remained comparable to SA (hazard ratio 0.56, 95% confidence interval 0.35–0.88, p = 0.013). In the subgroup analysis of PORT treatment, borderline malignant behavior increased the death risk by 23%, while other variables did not have a significant clinical benefit (p > 0.05).ConclusionsBorderline malignant behavior should be considered seriously, and the PORT regimen should be actively implemented for patients with benign meningiomas.
Short‐term outcomes between robot‐assisted and open pancreaticoduodenectomy in patients with high body mass index: A propensity score matched study
Authors: Li Jingfeng , Qian Lihan , Shi Yusheng , Shen Baiyong , Peng Chenghong 
Published: May 2023

AbstractBackgroundHigh body mass index was considered as a risk factor for minimally invasive surgery. The short‐term outcomes of robot‐assisted pancreaticoduodenectomy (RPD) remain controversial. This study aims to investigate the feasibility and advantage of RPD in patients with high body mass index compared to open pancreaticoduodenectomy (OPD).MethodsClinical data of 304 patients who underwent pancreaticoduodenectomy from January 2016 to December 2019 in Ruijin Hospital, Shanghai Jiao Tong University School of Medicine was collected. Patients with BMI >25 kg/m2 were included and divided into RPD and OPD group. After PSM at a 1:1 ratio, 75 patients of OPD and 75 patients of RPD were recorded and analyzed.ResultsThe RPD group showed advantages in the estimated blood loss (EBL) (323.3 mL vs. 480.7 mL, p = 0.010), the postoperative abdominal infection rate (24% vs. 44%, p = 0.010), the incidence of Clavien‐Dindo III‐V complications (14.7% vs. 28.0%, p = 0.042) over OPD group.ConclusionRPD shows advantages in less EBL, lower incidence rate of Clavien‐Dindo III‐V complications over OPD in overweight and obese patients. RPD was confirmed as a safe and feasible surgical approach for overweight or obsess patients.
Comparing technologies for conveying emotions through realistic avatars in virtual reality‐based metaverse experiences
Authors: Visconti Alessandro , Calandra Davide , Lamberti Fabrizio 
Published: May 2023

AbstractWith the development of metaverse(s), industry and academia are searching for the best ways to represent users' avatars in shared virtual environments (VEs), where real‐time communication between users is required. The expressiveness of avatars is crucial for transmitting emotions that are key for social presence and user experience, and are conveyed via verbal and non‐verbal facial and body signals. In this paper, two real‐time modalities for conveying expressions in virtual reality (VR) via realistic, full‐body avatars are compared by means of a user study. The first modality uses dedicated hardware (i.e., eye and facial trackers) to allow a mapping between the user's facial expressions/eye movements and the avatar model. The second modality relies on an algorithm that, starting from an audio clip, approximates the facial motion by generating plausible lip and eye movements. The participants were requested to observe, for both the modalities, the avatar of an actor performing six scenes involving as many basic emotions. The evaluation considered mainly social presence and emotion conveyance. Results showed a clear superiority of facial tracking when compared to lip sync in conveying sadness and disgust. The same was less evident for happiness and fear. No differences were observed for anger and surprise.
Study of the Biological Activity and Phenolic Content of the Ethanol Extract of Phyllogonium viride Brid. (Phyllogoniaceae, Bryophyta)
Authors: Klegin Christchellyn , Miranda Ethur Eduardo , Buhl Bárbara , Caroline Giacomin Ana , Bordin Juçara , Fernandes de Moura Neusa , Henrique Oliveira de Sousa Matheus 
Published: May 2023

AbstractThe present study aimed to examine the phenolic content and evaluate the antimicrobial and antioxidant potential of ethanol extracts from the moss species Phyllogonium viride Brid. on the pathogenic bacteria Salmonella enterica serovar enteritidis, Staphylococcus aureus, Listeria monocytogenes and Escherichia coli, and the pathogenic fungi Candida albicans and Cryptococcus neoformans. The antimicrobial activity was determined from Minimum Inhibitory Concentration (MIC) Minimum Bactericidal Concentration (MBC) and Minimum Fungicidal Concentration (MFC). Antioxidant activity was determined by the DPPH method. Folin‐Denis reagent was used for the content of total phenolics and flavonoids and HPLC‐DAD for identification of phenolic compounds. The results showed that bacteriostatic and bactericidal activities occurred at concentrations ranging from 9.76 μg/mL–78.13 μg/mL among all evaluated microorganisms. These values, considering the criteria used, suggest the P. viride extract as a potent antimicrobial. For antioxidant activity, P. viride extract was considered weak. Analysis of the phenolic content showed a wide range of compounds, with Kaempferol (0.41 mg/g) being the major compound, followed by t‐cinnamic acid and caffeic acid (0.17 mg/g). Although P. viride is a species of moss not yet referenced in scientific publications of biotechnological interest, it has shown promising potential for further studies and possible application as an antimicrobial of natural origin.
Interleukin 6 acutely increases gluconeogenesis and decreases the suppressive effect of insulin on cAMP‐stimulated glycogenolysis in rat liver
Authors: Biazi Giuliana R. , Uemura Isabele G. F. , Miksza Daniele R. , Ferraz Laura S. , Diaz Brenda F. , Bertolini Gisele L. , de Souza Helenir M. 
Published: May 2023

AbstractInterleukin 6 (IL6) is an multifunctional cytokine that modulates several biological responses, including glucose metabolism. However, its acute effects on hepatic glucose release are still uncertain. The main purpose of this study was to investigate the effects of IL6 on gluconeogenesis from several glucose precursors (alanine, pyruvate and glutamine) and on the suppressive action of insulin on cAMP‐stimulated glycogen catabolism in rat liver. IL6 effect on insulin peripheral sensitivity was also evaluated. IL6 was injected intravenously into rats and, 1 h later, gluconeogenesis and glycogenolysis were assessed in liver perfusion and peripheral insulin sensitivity by insulin tolerance test (ITT). IL6 intravenous injection increased hepatic glucose production from alanine, without changing pyruvate, lactate and urea production. IL6 injection also increased hepatic glucose production from pyruvate and glutamine. In addition, IL6 decreased the suppressive effect of insulin on cAMP‐stimulated glucose and lactate production and glycogenolysis, without affecting pyruvate production. Furthermore, IL6 reduced the plasma glucose disappearance constant (kITT), an indicator of insulin resistance. In conclusion, IL6 acutely increased hepatic glucose release (gluconeogenesis and glycogenolysis) by a mechanism that likely involved the induction of insulin resistance in the liver, as evidenced by the reduced suppressive effect of insulin on cAMP‐stimulated glycogen catabolism. In consistency, IL6 acutely induced peripheral insulin resistance.
Preparation of starch‐lipid complexes under wet grinding and its mechanism analysis
Authors: Dong Ying , Xing Fu , Dai Yangyong , Hou Hanxue , Wang Wentao , Wang Bin , Zhang Hui , Li Cheng 
Published: May 2023

AbstractBackground and ObjectiveStarch‐lipid complexes prepared by using partially gelatinized starch were more helpful in reducing the digestibility of starchy foods. Wet grinding (WG) could improve grinding homogeneity and avoid dust explosions. Moreover, as an excellent plasticizer, water could promote the movement of starch molecules during grinding. Therefore, this paper investigated the effect of WG on the structure and properties of corn starch with and without lauric acid. And the formation mechanism of starch‐lipid complexes under WG was explored.FindingsWG caused continuous hydration and even partial gelatinization of the starch. After 30 min of WG, the relative crystallinity, resistant starch (RS) content, and ΔH of the starch were all reduced to the minimum which were 25.82%, 21.55%, and 0.99 J/g, respectively. When lauric acid was added, WG promoted the formation of starch‐lipid complexes, and the RS content of starch reached the maximum (35.61%) after 30 min of WG.ConclusionAppropriate WG could promote the formation of more starch‐lipid complexes with low swelling, low solubility, high thermal stability, and high antidigestibility.Significance and NoveltyThis study provided a theoretical basis for future research on the preparation of high‐quality modified starch by WG.
Blood culture‐negative infective endocarditis presenting with atypical dermatologic manifestation: A rare case report and review of the literature
Authors: Najafizadeh Maedeh , Dashti Fatemeh , Pahlevani Hamed , Kamalizad Farzad , Mirazimi Seyed Mohammad Ali 
Published: May 2023

AbstractInfective endocarditis (IE) rarely presents with cutaneous manifestations due to earlier diagnosis and treatment. We present a case of middle‐aged male patient presenting with an erythematous papular rash in the upper extremities and left knee, further progressing into painful ulcers with crusted and necrotic center in the arms and fingers. These cutaneous lesions were further followed by shaking chills and fever, which brought the patient to our hospital. Laboratory evaluation revealed elevated ESR (erythrocyte sedimentation rate) and C‐reactive protein. Blood cultures taken were negative. Biopsy of the skin lesions were consistent with cutaneous leukocytoclastic vasculitis, and the gram smear revealed gram‐positive cocci. The patient developed dyspnea and chest pain, which raised suspicion for IE. TEE (transesophageal echocardiography) demonstrated mild LV diastolic dysfunction, 1+ tricuspid valve regurgitation, mild mitral regurgitation, and vegetation‐like lesions on the surface of mitral valve leaflets, consequently IE was confirmed. In conclusion, clinicians must look carefully for skin manifestations in cases with high likelihood of IE, even when other typical symptoms are absent.
Acute necrotizing encephalopathy of childhood from Eastern Africa
Authors: Chipongo Hilary , Rajan Shaffin , Sarkar Abizer , Mclarty Ronald , Sangey Esmail 
Published: May 2023

Key Clinical MessageAcute necrotizing encephalopathy leads to devastating neurological sequelae and even death. Clinician should try not to miss this diagnosis especially in the pediatrics whenever there are neurological symptoms due to viral infection.AbstractAcute necrotizing encephalopathy (ANE) is a rare disease affecting the central nervous system. It leads to devastating neurological sequelae with a mortality rate of approximately 30%. Clinicians should have high suspicion whenever there is neurologic deficit and history of viral infections especially involving upper respiratory tract in the pediatric age group.
Atomic Scale Observation of the Structural Dynamics of Supported Gold Nanocatalysts under 1,3‐Butadiene byin situEnvironmental Transmission Electron Microscopy
Authors: Nassereddine Abdallah , Delannoy Laurent , Ricolleau Christian , Louis Catherine , Alloyeau Damien , Wang Guillaume , Wang Qing , Guesmi Hazar , Nelayah Jaysen 
Published: May 2023

AbstractSupported gold catalysts have been reported to exhibit exceptional selectivity towards the desirable product, an alkene, in chemoselective hydrogenation of highly unsaturated alkynes and alkadienes. However, insights on the interactions between the gold nanoparticles and the 1,3‐butadiene adsorbates are lacking. In this work, using atomic scalein situETEM with the support of DFT‐based calculations, the reactivity of TiO2supported gold nanoparticles below 7 nm towards 1,3‐butadiene is investigated by monitoring their structure and dynamics under 105 Pa of 0.46 % C4H6/He during cooling at 300 °C and 200 °C. For sizes larger than 5 nm, the initial truncated octahedron morphology of gold nanoparticles is found to evolve towards a rounded morphology, with the growth of more open (110) surfaces and higher index facets at the expense of the initially present (100) and (111) facets, reflecting the adsorption of butadiene on low coordination sites at 300 °C. The morphology changes are shown to be accompanied by nucleation and glide of dislocations. At 200 °C, 1,3‐butadiene adsorption is shown to predominateon (111) facets, with the nanoparticles reverting to a faceted morphology while maintaining their fcc structure. For smaller particle size, Au fcc structure is also maintained under 1,3‐butadiene.
A Luminescence Assay in the Red for the Detection of Hydrogen Peroxide and Glucose Based on Metal Coordination Polyelectrolyte‐Induced Supramolecular Self‐Assembly of Alkynylplatinum(II) Complexes
Authors: Chan Calford Wai‐Ting , Law Angela Sin‐Yee , Yam Vivian Wing‐Wah 
Published: May 2023

AbstractA new sensing strategy towards hydrogen peroxide based on metal coordination polyelectrolyte‐driven self‐assembly of alkynylplatinum(II) 2,6‐bis(benzimidazol‐2′‐yl)pyridine (bzimpy) complex was demonstrated. The cationic in situ‐generated Ag(I)–thiocholine coordination polyelectrolytes were shown to induce the supramolecular self‐assembly of anionic low‐energy red‐emissive alkynylplatinum(II) bzimpy complexes via non‐covalent Pt(II)⋅⋅⋅Pt(II), electrostatic and π–π stacking interactions. The presence of hydrogen peroxide was shown to inhibit the formation of coordination polyelectrolytes and the coordination polyelectrolyte‐induced self‐assembly of platinum(II) complexes. The weakening of Pt(II)⋅⋅⋅Pt(II), electrostatic and π–π stacking interactions was supported by UV‐vis absorption, emission, and resonance light scattering (RLS) studies. The present assay was also applied to probe glucose indirectly based on the enzymatic reaction of glucose oxidase on the substrate. Operating in a label‐free manner, together with the low‐energy red emission and large Stokes shift of alkynylplatinum(II) complexes, these features render the proposed design attractive for biological applications.
Leaching kinetics of magnesium extraction from boron mud in ammonium bisulphate solutions
Authors: Chang Jingjing , Ning Zhiqiang , Xie Hongwei , Song Qiushi 
Published: May 2023

AbstractIn this study, the leaching kinetics of magnesium of boron mud (BM) is evaluated using NH4HSO4 solution. The effects of leaching temperature, leaching time, ammonium bisulphate solution concentration and liquid–solid ratio on the extraction ratio of magnesium are investigated. Optimum leaching parameters are determined through an orthogonal test based on single factor experiments. Under the optimum leaching temperature (333 K), leaching time (40 min), NH4HSO4 concentration (2.8 mol · L−1), and liquid–solid ratio (9:1 mL · g−1), the extraction ratio of magnesium was 76.73%. In addition, the leaching kinetics data of magnesium from BM are analyzed through graphical and statistical approaches, which reveal that the leaching process conforms to the grain model. The leaching process is diffusion‐controlled with an activation energy of 41.67 kJ · mol−1.