bluuebunny/crossref_metadata_2025_split huggingface dataset:
Organocatalytic Enantioselective One‐pot Synthesis of Dihydrocoumarins via C−H Oxidation and Cyclization Cascade
Authors: Kim Kyeong Seop , Kim Dae Young 
Published: September 2023

AbstractChiral 3,4‐dihydrocoumarin derivatives were obtained from 2‐benzyl phenols and oxazolones in moderate to high yields with excellent enantioselectivitie (up to 96 % ee) through one‐pot cascade via C−H oxidation and cyclization cascade using a binaphthyl‐modified squaramide bifunctional organocatalyst under mild reaction conditions.
Fine‐Tuning Electrolyte Concentration and Metal–Organic Framework Surface toward Actuating Fast Zn2+ Dehydration for Aqueous Zn‐Ion Batteries
Authors: Jiang Yizhi , Wan Zheng , He Xiao , Yang Jinrong 
Published: September 2023

AbstractFunctional porous coating on zinc electrode is emerging as a powerful ionic sieve to suppress dendrite growth and side reactions, thereby improving highly reversible aqueous zinc ion batteries. However, the ultrafast charge rate is limited by the substantial cation transmission strongly associated with dehydration efficiency. Here, we unveil the entire dynamic process of solvated Zn2+ ions’ continuous dehydration from electrolyte across the MOF‐electrolyte interface into channels with the aid of molecular simulations, taking zeolitic imidazolate framework ZIF‐7 as proof‐of‐concept. The moderate concentration of 2 M ZnSO4 electrolyte being advantageous over other concentrations possesses the homogeneous water‐mediated ion pairing distribution, resulting in the lowest dehydration energy, which elucidates the molecular mechanism underlying such concentration adopted by numerous experimental studies. Furthermore, we show that modifying linkers on the ZIF‐7 surface with hydrophilic groups such as −OH or −NH2 can weaken the solvation shell of Zn2+ ions to lower the dehydration free energy by approximately 1 eV, and may improve the electrical conductivity of MOF. These results shed light on the ions delivery mechanism and pave way to achieve long‐term stable zinc anodes at high capacities through atomic‐scale modification of functional porous materials.
Programmable and Self‐Healable Liquid Crystal Elastomer Actuators Based on Halogen Bonding
Authors: Guo Hongshuang , Liang Chen , Ruoko Tero‐Petri , Meteling Henning , Peng Bo , Zeng Hao , Priimagi Arri 
Published: September 2023

AbstractShape‐changing polymeric materials have gained significant attention in the field of bioinspired soft robotics. However, challenges remain in versatilizing the shape‐morphing process to suit different tasks and environments, and in designing systems that combine reversible actuation and self‐healing ability. Here, we report halogen‐bonded liquid crystal elastomers (LCEs) that can be arbitrarily shape‐programmed and that self‐heal under mild thermal or photothermal stimulation. We incorporate halogen‐bond‐donating diiodotetrafluorobenzene molecules as dynamic supramolecular crosslinks into the LCEs and show that these relatively weak crosslinks are pertinent for their mechanical programming and self‐healing. Utilizing the halogen‐bonded LCEs, we demonstrate proof‐of‐concept soft robotic motions such as crawling and rolling with programmed velocities. Our results showcase halogen bonding as a promising, yet unexplored tool for the preparation of smart supramolecular constructs for the development of advanced soft actuators.
Atomically Dispersed Cobalt/Copper Dual‐Metal Catalysts for Synergistically Boosting Hydrogen Generation from Formic Acid
Authors: Shi Yanzhe , Luo Bingcheng , Liu Runqi , Sang Rui , Cui Dandan , Junge Henrik , Du Yi , Zhu Tianle , Beller Matthias , Li Xiang 
Published: September 2023

AbstractThe development of practical materials for (de)hydrogenation reactions is a prerequisite for the launch of a sustainable hydrogen economy. Herein, we present the design and construction of an atomically dispersed dual‐metal site Co/Cu−N−C catalyst allowing significantly improved dehydrogenation of formic acid, which is available from carbon dioxide and green hydrogen. The active catalyst centers consist of specific CoCuN6 moieties with double‐N‐bridged adjacent metal‐N4 clusters decorated on a nitrogen‐doped carbon support. At optimal conditions the dehydrogenation performance of the nanostructured material (mass activity 77.7 L ⋅ gmetal−1 ⋅ h−1) is up to 40 times higher compared to commercial 5 % Pd/C. In situ spectroscopic and kinetic isotope effect experiments indicate that Co/Cu−N−C promoted formic acid dehydrogenation follows the so‐called formate pathway with the C−H dissociation of HCOO* as the rate‐determining step. Theoretical calculations reveal that Cu in the CoCuN6 moiety synergistically contributes to the adsorption of intermediate HCOO* and raises the d‐band center of Co to favor HCOO* activation and thereby lower the reaction energy barrier.
Current advances in Candida tropicalis: Yeast overview and biotechnological applications
Authors: Queiroz Sarah de Souza , Jofre Fanny Machado , Bianchini Italo de Andrade , Boaes Tatiane da Silva , Bordini Fernanda Weber , Chandel Anuj Kumar , Felipe Maria das Graças de Almeida 
Published: September 2023

AbstractCandida tropicalis is a nonconventional yeast with medical and industrial significance, belonging to the CTG clade. Recent advancements in whole‐genome sequencing and genetic analysis revealed its close relation to other unconventional yeasts of biotechnological importance. C. tropicalis is known for its immense potential in synthesizing various valuable biomolecules such as ethanol, xylitol, biosurfactants, lipids, enzymes, α,ω‐dicarboxylic acids, single‐cell proteins, and more, making it an attractive target for biotechnological applications. This review provides an update on C. tropicalis biological characteristics and its efficiency in producing a diverse range of biomolecules with industrial significance from various feedstocks. The information presented in this review contributes to a better understanding of C. tropicalis and highlights its potential for biotechnological applications and market viability.
A fiducial‐based confidence interval for the linear combination of multinomial probabilities
Authors: Batterton Katherine A. , Schubert Christine M. , Warr Richard L. 
Published: September 2023

AbstractAcross a broad set of applications, system outcomes may be summarized as probabilities in confusion or contingency tables. In settings with more than two outcomes (e.g., stages of cancer), these outcomes represent multinomial experiments. Measures to summarize system performance have been presented as linear combinations of the resulting multinomial probabilities. Statistical inference on the linear combination of multinomial probabilities has been focused on large‐sample and parametric settings and not small‐sample settings. Such inference is valuable, however, especially in settings such as those resulting from pilot or low‐cost studies. To address this gap, we leverage the fiducial approach to derive confidence intervals around the linear combination of multinomial parameters with desirable frequentist properties. One of the original arguments against the fiducial approach was its inability to extend to multiparameter settings. Therefore, the great novelty of this work is both the derived interval and the logical framework for applying the fiducial approach in multiparameter settings. Through simulation, we demonstrate that the proposed method maintains a minimum coverage of , unlike the bootstrap and large‐sample methods, at comparable interval lengths. Finally, we illustrate its use in a medical problem of selecting classifiers for diagnosing chronic allograph nephropathy in postkidney transplant patients.
Multiparametric MRI‐based model for prediction of local progression of hepatocellular carcinoma after thermal ablation
Authors: Chen Chao , Han Qiuying , Ren He , Wu Siyi , Li Yangyang , Guo Jiandong , Li Xinghai , Liu Xiang , Li Chengzhi , Tian Yunfei 
Published: September 2023

AbstractPurposeTo develop a deep learning radiomics of multiparametric magnetic resonance imaging (DLRMM)‐based model that incorporates preoperative and postoperative signatures for prediction of local tumor progression (LTP) after thermal ablation (TA) in hepatocellular carcinoma (HCC).MethodsFrom May 2017 to October 2021, 417 eligible patients with HCC were retrospectively enrolled from three hospitals (one primary cohort [PC, n = 189] and two external test cohorts [ETCs][n = 135, 93]). DLRMM features were extracted from T1WI + C, T2WI, and DWI using ResNet18 model. An integrative model incorporating the DLRMM signature with clinicopathologic variables were further built to LTP risk stratification. The performance of these models were compared by areas under receiver operating characteristic curve (AUC) using DeLong test.ResultsA total of 1668 subsequences and 31,536 multiparametric MRI slice including T1WI, T2WI, and DWI were collected simultaneously. The DLRMM signatures were extracted from tumor and ablation zone, respectively. Ablative margin, multiple tumors, and tumor abutting major vessels were regarded as risk factors for LTP in clinical model. The AUC of DLRMM model were 0.864 in PC, 0.843 in ETC1, and 0.858 in ETC2, which was higher significantly than those in clinical model (p < 0.001). After integrating clinical variable, DLRMM model obtained significant improvement with AUC of 0.870–0.869 in three cohorts (all, p < 0.001), which can provide the risk stratification for overall survival of HCC patients.ConclusionsThe DLRMM model is essential to identify LTP risk of HCC patients who underwent TA and may potentially benefit personalized decision‐making.
Advancing precision oncology through systematic germline and tumor genetic analysis: The oncogenetic point of view on findings from a prospective multicenter clinical trial of 666 patients
Authors: Mazel Benoit , Bertolone Geoffrey , Baurand Amandine , Cosset Elodie , Sawka Caroline , Robert Marion , Gautier Elodie , Lançon Allan , Réda Manon , Favier Laure , Dérangère Valentin , Richard Corentin , Binquet Christine , Boidot Romain , Goussot Vincent , Albuisson Juliette , Ghiringhelli François , Faivre Laurence , Nambot Sophie 
Published: September 2023

AbstractIntroductionWith the emergence of targeted therapies, there is a need to accurately identify more tumor biomarkers. The EXOMA trial was designed to offer tumor and germline exome sequencing (ES) to patients with solid malignant tumors and facing therapeutic failure. As hereditary cancer predispositions could be identified, with genetic counseling and health management implications, a genetic consultation was systematically established. This design needs to be discussed as genetic human resources are limited and indication of theranostic tests will increase.MethodsGenetic counseling was conducted within 15 days following inclusion in the study for patients recruited between December 2015 and July 2019. In silico analyses from theranostic ES were limited to 317 genes involved in oncogenesis, from both tumor and blood DNA.ResultsSix hundred and sixty six patients had a genetic consultation before ES. In 65/666 patients, 66 germline pathogenic or likely pathogenic (P/LP) variants were identified in 16 actionable genes and seven non‐actionable genes according to French guidelines. 24/65 patients had previously received genetic analysis for diagnostic purposes, and for 17 of them, a P/LP variant had already been identified. Among the 48/65 remaining cases for which the EXOMA protocol revealed a previously unknown P/LP variant, only 19 met the criteria for genetic testing for inherited cancer risk after familial survey. These criteria had not been identified by the oncologist in 10 cases. In 21/65 cases, the variant was considered incidental.DiscussionIn 7.4% of patients, an undiagnosed hereditary genetic predisposition was identified, whether or not related to the clinical presentation, and germline analysis impacted oncological management for only 6.3% of the cohort. This low percentage should be weighed against the burden of systematic genetic consultation and urgent circuits. Information or training tools to form oncologists to the prescription of germline genetic analyses should be explored, as well as information supports and patient preferences.
Design, Synthesis, Anticancer Evaluation and Molecular Modeling Studies of New Thiazolidinone‐Benzoate Scaffold as EGFR Inhibitors, Cell Cycle Interruption and Apoptosis Inducers in HepG2
Authors: Magdy Eldaly Salwa , Salama Zakaria Dalia , Hanafy Metwally Nadia 
Published: September 2023

AbstractSynthesis of new anticancer candidates with protein kinases inhibitory potency is a major goal of pharmaceutical science and synthetic research. This current work represents the synthesis of a series of substituted benzoate‐thiazolidinones. Most prepared thiazolidinones were evaluated in vitro for their potential anticancer activity against three cell lines by MTT assay, and they found to be more effective against cancer cell lines with no harm toward normal cells. Thiazolidinones 5 c and 5 h were further evaluated to be kinase inhibitors against EGFR showing effective inhibitory impact (with IC50 value; 0.2±0.009 and 0.098±0.004 μM, for 5 c and 5 h, respectively). Furthermore, 5 c and 5 h have effects on cell cycle and apoptosis induction capability in HepG2 cell lines by DNA‐flow cytometry analysis and annexin V‐FITC apoptosis assay, respectively. The results showed that they have effect of disrupting the cell cycle and causing cell mortality by apoptosis in the treated cells. Moreover, molecular docking studies showed better binding patterns for 5 c and 5 h with the active site of the epidermal growth factor receptor (EGFR) protein kinase (PDB code 1M17). Finally, toxicity risk and physicochemical characterization by Osiris method was performed on most of the compounds, revealing excellent properties as possible drugs.
Antifungal Activity of Cadinane‐Type Sesquiterpenes from Eupatorium adenophorum against Wood‐Decaying Fungi
Authors: Liu Yang , Wang Deyan , Hu Shijun , Wu Jianrong , Luo Jianmei , Cao Mingming , Yan Xiaohui 
Published: September 2023

AbstractThe present study aimed to evaluate the antifungal activities of Eupatorium adenophorum against four strains of wood‐decaying fungi, including Inonotus hispida, Inonotus obliquus, and Inonotus cuticularis. Bioguided isolation of the methanol extract of E. adenophorum by silica gel column chromatography and high‐performance liquid chromatography afforded six cadinane‐type sesquiterpenes. Their structures were identified by nuclear magnetic resonance and MS analyses. According to the antifungal results, the inhibition rate of the compound was between 59.85 % and 77.98 % at a concentration of 200 μg/mL. The EC50 values ranged from 74.5 to 187.4 μg/mL.
Preparation of Some New Pyrazolo[1,5‐a]pyrimidines and Evaluation of Their Antioxidant, Antibacterial (MIC and ZOI) Activities, and Cytotoxic Effect on MCF‐7 Cell Lines
Authors: Vahedi Mohammad Mehdi , Asghari Sakineh , Tajbakhsh Mahmood , Mohseni Mojtaba 
Published: September 2023

AbstractThis study aims to synthesize some novel pyrazolo[1,5‐a]pyrimidine derivatives, and investigate their biological activities. These compounds exhibited good to high antioxidant activities [2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) radical scavenging capabilities]. Among them, Ethyl 5‐(2‐ethoxy‐2‐oxoethyl)‐7‐hydroxy‐2‐methylpyrazolo[1,5‐a]pyrimidine‐3‐carboxylate (3h) showed the highest antioxidant activity [Half‐maximal Inhibitory Concentration (IC50)=15.34 μM] compared to ascorbic acid (IC50=13.53 μM) as a standard compound. Their antibacterial activities were investigated against two Gram‐positive bacteria (Bacillus subtilis, and Staphylococcus aureus) and two Gram‐negative bacteria (Pseudomonas aeruginosa, and Escherichia coli). The results showed that Ethyl 7‐hydroxy‐5‐phenylpyrazolo[1,5‐a]pyrimidine‐3‐carboxylate (3i) has the best antibacterial activity against Gram‐positive B. subtilis [Zone of Inhibition (ZOI)=23.0±1.4 mm, Minimum Inhibitory Concentration (MIC)=312 μM]. Also, the cytotoxicity of these compounds was assessed against breast cancer cell lines [human breast adenocarcinoma (MCF‐7)], which 7‐Hydroxy‐2‐methyl‐5‐phenylpyrazolo[1,5‐a]pyrimidine‐3‐carbonitrile (3f) displayed the most cytotoxicity (IC50=55.97 μg/mL), in contrast with Lapatinib (IC50=79.38 μg/mL) as a known drug.
Rapid On‐Resin N‐Formylation of Peptides as One‐Pot Reaction
Authors: Kokollari Agon , Werner Marius , Lindner Christina , Pham Truc Lam , Thomas Franziska 
Published: September 2023

AbstractN‐formylation is a common pre‐ and post‐translational modification of the N‐terminus or the lysine side chain of peptides and proteins that plays a role in the initiation of immune responses, gene expression, or epigenetics. Despite its high biological relevance, protocols for the chemical N‐formylation of synthetic peptides are scarce. The few available methods are elaborate in their execution and the yields are highly sequence‐dependent. We present a rapid, easy‐to‐use one‐pot procedure that runs at room temperature and can be used to formylate protected peptides at both the N‐terminus and the lysine side chain on the resin in near‐quantitative yields. Only insensitive, storage‐stable standard chemicals – formic acid, acetic anhydride, pyridine and DMF – are used. Formylation works for both short and long peptides of up to 34 amino acids and over the spectrum of canonical amino acids.
Heart surgery in a pediatric patient with congenital heart disease and hemophilia B: A case report from Sudan
Authors: Mohmmedahmed Mohmmed A. , Eltahir Esra M. , Mohammedali Amna M. , Yousef Bashir A. 
Published: September 2023

Key Clinical MessageA multidisciplinary team approach, careful hemostasis, and factor replacement therapy are important in the perioperative management of hemophiliac patients undergoing pediatric cardiac surgery.AbstractThe combination of congenital heart diseases (CHD) and hemophilia is rare; furthermore, heart surgery and perioperative management of such cases is challenging. This report illustrates the challenges of pediatric cardiac surgery in an infant with both hemophilia B and CHD. Multidisciplinary team approach, careful hemostasis, and factor replacement therapy were key to success without hemorrhagic complications before, during and after surgery.
Management and saving a traumatized poor prognosis maxillary central incisor for 18 years: A patient‐centered treatment
Authors: Aminsobhani Mohsen , HafeziMotlagh Kimia , MahjourianQomi Reza 
Published: September 2023

Key clinical messageWith today's increasing desire to preserve natural teeth, managing teeth with a poor prognosis is a new challenge for clinicians. A dentist's attention to patient‐centered care is essential, which improves dental outcomes.AbstractNowadays, patients' interest in preserving their natural teeth has increased. In the patient‐centered care model, the clinician should consider the patient's preferences and values in the treatment plan. This strengthens the patient's responsibility toward his own body, resulting in more patient satisfaction and effective cooperation. Therefore, the skill of saving teeth with a poor prognosis, in which there was no other choice but to extract them, becomes essential in patients who want to preserve their natural teeth. This case report presents the successful 18‐year treatment and management of a maxillary central incisor of a 17‐year‐old male with a horizontal root fracture, who was incompletely treated in another medical center when the trauma occurred. The patient presented to us after 6 months. Due to the short length of the root, the patient underwent regenerative endodontic treatment first, but he did not attend follow‐ups. Finally, after 8 years, the patient returned with symptoms of infection and periapical radiolucency. The apical part of the root was resorbed during this time. Finally, it was decided to place an apical plug with MTA. MTA was extruded from the apical part of the root canal during the placement of the apical plug. In the 1‐, 2‐, 4‐, and 10‐year follow‐ups, the patient was completely asymptomatic, and the radiolucent periradicular lesion had healed. However, the extruded MTA was still present in the radiographic images without interfering with the healing process. Finally, the tooth has remained functional for 18 years.
Persistently high serum aspartate aminotransferase level in an asymptomatic young patient
Authors: Pei Xiong , Zhao Yanhua , Jiang Wei , Zeng Qingmin , Liu Changhai , Wang Ming , Wang Hui , Liang Shanshan , Gan Wei , Wu Dongbo , Tang Hong 
Published: September 2023

Key Clinical MessageWe report a young man with isolated elevated AST. He had no other evidence of liver or other related diseases. All the tests and examination reports were negative. The final diagnosis of macro‐AST was confirmed by PEG precipitation tests.AbstractElevated liver enzymes, such as alanine aminotransferase (ALT) and aspartate aminotransferase (AST), may commonly indicate liver injury. However, macro‐AST is generally a benign condition that may be considered as pathologic by clinicians. A young man with isolated elevated AST for more than 10 years who have taken extensive tests and examinations was diagnosed with macro‐AST in our article. Thus, in patients with isolated AST‐elevation, polyethylene glycol (PEG) precipitation test was recommended to test whether macro‐AST could be diagnosed.
Defluorinative 1,3‐Dienylation of Fluoroalkyl N‐Triftosylhydrazones with Homoallenols
Authors: Zhang Xiaolong , Deng Jiahua , Ji Yong , Li Rong , Sivaguru Paramasivam , Song Qingmin , Karmakar Swastik , Bi Xihe 
Published: September 2023

AbstractA silver‐catalyzed regioselective defluorinative 1,3‐dienylation of trifluoromethyl phenyl N‐triftosylhydrazones using homoallenols as 1,3‐dienyl sources provides a variety of α‐(di)fluoro‐β‐vinyl allyl ketones with excellent functional group tolerance in moderate to good yields. The reaction proceeds through a silver carbene‐initiated sequential etherification and Claisen type [3,3]‐sigmatropic rearrangement cascade. The synthetic utility of this protocol was demonstrated through the downstream synthetic elaboration toward diverse synthetically useful building blocks.
Dipolarophile‐Steered Formal Stereodivergent Synthesis of 2,5‐cis/trans‐Pyrrolidines Based on Asymmetric 1,3‐Dipolar Cycloaddition of Imino Lactones
Authors: Furuya Shohei , Muroi Kenji , Kanemoto Kazuya , Fukuzawa Shin‐ichi 
Published: September 2023

AbstractThe stereodivergent asymmetric synthesis of 2,5‐trans/cis pyrrolidines by 1,3‐dipolar cycloaddition using two different types of activated alkenes is described. When ylidene‐isoxazolones were employed as dipolarophiles, the Ag/(S,Sp)‐iPr‐FcPHOX‐catalyzed asymmetric [3+2] cycloaddition of imino lactones proceeded with 2,5‐trans selectivity. Subsequent decarboxylation of the isoxazolone rings produced pyrrolidines with 2,5‐trans stereoretention. In the reaction using acyclic enones as activated alkenes, the Ag/(R,Sp)‐ThioClickFerrophos complex‐catalyzed asymmetric [3+2] cycloaddition afforded 2,5‐cis substituted pyrrolidines in high yields and enantioselectivities. Therefore, these methods can be considered as a formal stereodivergent synthesis of 2,5‐cis/trans pyrrolidines.