bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimization of a 1,4,7‐Triazacyclononane‐1,4‐diacetic acid (NODA) Derivative Radiofluorination by Al18F Complexation Using a Design of Experiments Approach
Authors: San Carine , Hosten Benoît , Vignal Nicolas , Beddek Meriem , Pillet Maurice , Sarda‐Mantel Laure , Port Marc , Dioury Fabienne 
Published: September 2023

AbstractFluorine‐18 (18F) is the most favorable positron emitter for radiolabeling Positron Emission Tomography (PET) probes. However, conventional 18F labeling through covalent C−F bond formation is challenging, involving multiple steps and stringent conditions unsuitable for sensitive biomolecular probes whose integrity may be altered. Over the past decade, an elegant new approach has been developed involving the coordination of an aluminum fluoride {Al18F} species in aqueous media at a late‐stage of the synthetic process. The objective of this study was to implement this method and to optimize radiolabeling efficiency using a Design of Experiments (DoE). To assess the impact of various experimental parameters on {Al18F} incorporation, a pentadentate chelating agent NODA‐MP‐C4 was prepared as a model compound. This model carried a thiourea function present in the final conjugates resulting from the grafting of the chelating agent onto the probe. The formation of the radioactive complex Al18F‐NODA‐MP‐C4 was studied to achieve the highest radiochemical conversion. A complementary “cold” series study using the natural isotope 19F was also conducted to guide the radiochemical operating conditions. Ultimately, Al18F‐NODA‐MP‐C4 was obtained with a reproducible and satisfactory radiochemical conversion of 79±3.5 % (n=5).
Cytopathologic diagnosis of extragonadal germ cell tumors: A 10‐year institutional review
Authors: Geisler Daniel L. , Marshall Mason , Bastacky Sheldon I. , Khader Samer N. 
Published: September 2023

AbstractBackgroundThe occurrence of extragonadal germ cell tumors (EGGCTs), either as primary tumors or metastatic disease, is rare. Forms of cytologic sampling, including fluid analysis, fine‐needle aspiration, and/or small‐core needle biopsy, have been shown to be reliable methods for the diagnosis of germ cell tumors. This study aims to investigate the utility of cytopathologic techniques in the diagnosis of EGGCTs at the authors’ institution.MethodsThe laboratory information system was queried over a period of 10 years (2012–2022) to identify all cytology cases diagnosed on fluid cytology, FNA, and/or small‐core biopsy as germ cell tumors in extragonadal locations. Patient demographics, tumor location, serum tumor marker levels, cytopathologic diagnosis, and follow‐up surgical resection data were reviewed and correlated.ResultsA total of 35 cases from 32 patients (all males) were identified. Thirty specimens contained satisfactory material for diagnosis (86%) and five were less than optimal for evaluation (14%). Despite this, all cases had clinically useful cytopathologic diagnoses. A total of 19 cytology cases (16 patients) had follow‐up resection specimens available. Of these, 11 patients underwent preoperative chemotherapy. Nine patients showed no evidence of residual tumor and two showed histologic concordance. Of the five patients who did not have preoperative chemotherapy, all showed concordant histologic diagnoses.ConclusionsCytology can provide a reliable, accurate method for diagnosing EGGCTs. The practice of preoperative (neoadjuvant) chemotherapy places an extreme importance on the initial cytopathologic diagnosis because the majority of patients with follow‐up resection in this series showed no residual tumor.
mRNA Synthesis and Encapsulation in Ionizable Lipid Nanoparticles
Authors: McKenzie Rebecca Elizabeth , Minnell Jordan James , Ganley Mitch , Painter Gavin Frank , Draper Sarah Louise 
Published: September 2023

AbstractmRNA vaccines have recently generated significant interest due to their success during the COVID‐19 pandemic. Their success is due to advances in mRNA design and encapsulation into ionizable lipid nanoparticles (iLNPs). This has highlighted the potential for the use of mRNA‐iLNPs in other settings such as cancer, gene therapy, or vaccines for different infectious diseases. Here, we describe the production of mRNA‐iLNPs using commercially available reagents that are suitable for use as vaccines and therapeutics. This article contains detailed protocols for the synthesis of mRNA by in vitro transcription with enzymatic capping and tailing and the encapsulation of the mRNA into iLNPs using the ionizable lipid DLin‐MC3‐DMA. DLin‐MC3‐DMA is often used as a benchmark for new formulations and provides an efficient delivery vehicle for screening mRNA design. The protocol also describes how the formulation can be adapted to other lipids. Finally, a stepwise methodology is presented for the characterization and quality control of mRNA‐iLNPs, including measuring mRNA concentration and encapsulation efficiency, particle size, and zeta potential. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Synthesis of mRNA by in vitro transcription and enzymatic capping and tailingBasic Protocol 2: Encapsulation of mRNA into ionizable lipid nanoparticlesAlternate Protocol: Small‐scale encapsulation of mRNA using preformed vesiclesBasic Protocol 3: Characterization and quality control of mRNA ionizable lipid nanoparticles
Flow‐Integrated Preparation of Norbornadiene Precursors for Solar Thermal Energy Storage
Authors: Baggi Nicolò , Hölzel Helen , Schomaker Hannes , Moreno Kevin , Moth‐Poulsen Kasper 
Published: September 2023

AbstractMolecular solar thermal (MOST) energy storage systems are getting increased attention related to renewable energy storage applications. Particularly, 2,3‐difunctionalized norbornadiene‐quadricyclane (NBD‐QC) switches bearing a nitrile (CN) group as one of the two substituents are investigated as promising MOST candidates thanks to their high energy storage densities and their red‐shifted absorbance. Moreover, such NBD systems can be prepared in large quantities (a requirement for MOST‐device applications) in flow through Diels‐Alder reaction between cyclopentadiene and appropriately functionalized propynenitriles. However, these acetylene precursors are traditionally prepared in batch from their corresponding acetophenones using reactive chemicals potentially leading to health and physical hazards, especially when working on a several‐grams scale. Here, we develop a multistep flow‐chemistry route to enhance the production of these crucial precursors. Furthermore, we assess the atom economy (AE) and the E‐factor showing improved green metrics compared to classical batch methods. Our results pave the way for a complete flow synthesis of NBDs with a positive impact on green chemistry aspects.
Top‐down effects of filter‐feeding fish and bivalves moderate bottom‐up effects of nutrients on phytoplankton in subtropical shallow lakes: An outdoor mesocosm study
Authors: Zhang You , Shen Ruijie , Li Kuanyi , Li Qisheng , Chen Huihui , He Hu , Gu Xiaohong , Mao Zhigang , Johnson Richard K. 
Published: September 2023

AbstractBiomanipulation has been widely used in the ecological restoration of eutrophic lakes for decades. However, biomanipulation is prone to failure if external nutrient loads are not reduced. In order to explore the importance of filter‐feeding fish and bivalves on algal control, an outdoor mesocosm experiment was conducted using different nutrient concentrations. Four treatments simulating daily loads of nutrients in Lake Taihu were studied: current, two times, and three times average daily loads of nutrients with both fish (Aristichthys nobilis) and Asian clam (Corbicula fluminea) and as a control current daily loads without fish or bivalves. Results showed that stocking of filter‐feeding fish and bivalves (80 g m−3 bighead carp; 200 g cm−2 clams) at two times daily nutrient loads could effectively control water column Chl a concentrations and phytoplankton biomass. At higher nutrient concentrations (TN ≥ 260 μg L−1 d−1; TP ≥ 10 μg L−1 d−1), top‐down control of filter‐feeding fish and bivalves was less effective and bottom‐up effects resulted in significant increases of Chl a concentration. Thus, as phytoplankton biomass in freshwater ecosystems is determined by both the top‐down effects of predators and the bottom‐up effects of nutrients, external loadings should be controlled when filter‐feeding fish and bivalves are used for algal control to ensure the efficacy of biomanipulation.
Cenobamate in refractory epilepsy: Overview of treatment options and practical considerations
Authors: Schmitz Bettina , Lattanzi Simona , Vonck Kristl , Kälviäinen Reetta , Nashef Lina , Ben‐Menachem Elinor 
Published: September 2023

AbstractManagement of drug resistant epilepsy (DRE) represents a challenge to the treating clinician. This manuscript addresses DRE and provides an overview of treatment options, medical, surgical, and dietary. It addresses treatment strategies in polytherapy, then focuses on the role cenobamate (CNB) may play in reducing the burden of DRE while providing practical advice for its introduction. CNB is a recently approved, third generation, anti‐seizure medication (ASM), a tetrazole‐derived carbamate, thought to have a dual mechanism of action, through its effect on sodium channels as well as on GABAA receptors at a non‐benzodiazepine site. CNB, having a long half‐life, is an effective add‐on ASM in refractory focal epilepsy with a higher response rate and a higher seizure‐freedom rate than is usually seen in regulatory clinical trials. Experience post‐licensing, though still limited, supports the findings of clinical trials and is encouraging. Its spectrum of action in relation to generalized epilepsies and seizures remains to be established, and there are no data on its efficacy in monotherapy. At the time of writing, CNB has been prescribed for some 50 000 individuals with DRE and focal epilepsy. A larger number is needed to fully establish its safety profile. It should at all times be introduced slowly to minimize the risk of serious allergic drug reactions. It has clinically meaningful interactions which must be anticipated and managed to maximize tolerability and likelihood of successful treatment. Despite the above, it may well prove to be of major benefit in the treatment of many patients with drug resistant epilepsy.
Randomized trial to assess the efficacy and safety of xyloglucan for the treatment of acute gastroenteritis in children
Authors: Perez‐Garcia Maria Jose , Royuela Ana , Rodriguez‐Contreras Francisco‐Javier , PandoBravo Maria Angeles , Chiatti Cristina , Ramos Carmen , Arana‐Zumaquero Mario , Gonzalez‐Marcos Maria Isabel , Diaz Juncal , Fresno‐Calle Maria Cristina , García‐Bartolomé Ruth , Viver Susana , Villaverde‐Gonzalez Serena , Cilleruelo‐Pascual Maria Luz , Gutierrez‐Junquera Carolina , Rasines‐Rodriguez Alejandro , Manso‐Pérez Alba , Román‐Riechmann Enriqueta 
Published: September 2023

AbstractAcute gastroenteritis is one of the most common diseases in children and an important cause of morbidity and mortality worldwide. No specific treatment is available; therefore, management is exclusively symptomatic. Xyloglucan has been approved in Europe as a class IIa medical device for restoration of the physiological functions of the intestinal wall. Our objective was to assess efficacy and safety of xyloglucan for the treatment of acute gastroenteritis in children. We performed a triple‐blind, randomized placebo‐controlled clinical trial in four primary care centers and one continued care hospital center. The study population comprised children with acute gastroenteritis aged >3 months and <5 years. Our primary endpoint was time (in hours) of resolution of diarrhea, defined as the time to resolution of stool consistency (Bristol Stool Form Scale ≤5 or Amsterdam Stool Form Scale B or C) or time until deposition frequency resumes to normality, whichever occurred first. We also recorded intravenous rehydration, hospitalization, stools per day, Vesikari scale, vomiting, relapse, weight loss, drugs prescribed, and adverse events. Eighty children were included in the intention‐to‐treat population (43 xyloglucan and 37 placebo) and 74 (93%) in the per‐protocol population. Time to resolution of diarrhea was similar in both groups with (median, 95% CI) 24, 17–24 h in the xyloglucan group versus 24, 19–24 h in the placebo group, p = .680. Significant differences were observed for patients with moderate‐to‐severe diarrhea (Vesikari scale ≥9): xyloglucan group (20 [15–24] h) versus placebo group (85 [51–120] h) (p = .04). No other significant differences were found. Xyloglucan can be considered safe and other studies should be performed to confirm the usefulness in patients with moderate‐to‐severe diarrhea.
Insights into momentous aroma dominating the characteristic flavor of jasmine tea
Authors: Zhao Yueling , Li Shunyu , Du Xiao , Xu Wei , Bian Jinlin , Chen Shengxiang , He Chunlei , Xu Jingyi , Ye Shanrong , Feng Dejian , Li Pinwu 
Published: September 2023

AbstractJasmine tea is loved by most people who drink flower tea owing to its unique aroma, and it is known as the top of flower teas. In our study, the quantitative evaluation of the quality of jasmine tea and detection of aroma components were carried out. First, the flavor quality of 92 kinds of jasmine tea was evaluated using multiple sub‐factor quality evaluation methods. According to the evaluation results, jasmine tea was divided into three types: “fresh and lovely” (FL), “heavy and thick” (HT), and “fresh and heavy” (FH). Gas chromatography–mass spectrometry (GC–MS) was used to detect the aroma components of the three types of jasmine tea samples. α‐Farnesene, cis‐3‐hexenyl benzoate, acid phenylmethyl ester, linalool, methyl anthranilate, and indole were the main substances that constituted the basic aroma quality characteristics of jasmine tea. Compared to the FL type, the HT and FH types were weaker in the diversification of the characteristic aroma and accumulation of green, herb, sweet, and roast aroma substances. Green and herb aromas play crucial roles in the fresh and persistent qualities of the three types of jasmine tea, which are the key quality factors research focus of jasmine tea.
Self‐help application for obsessive‐compulsive disorder based on exposure and response prevention technique with prototype design and usability evaluation: A cross‐sectional study
Authors: Rezaee Rita , Parsa Ziba , Ahmadzadeh Laaya , Ahmadian Leila , Avazzadeh Sepehr , Marzaleh Milad Ahmadi 
Published: September 2023

AbstractBackground and AimsObsessive‐compulsive disorder (OCD) is a relatively common disorder that, due to its debilitating nature, significantly affects personal abilities, job performance, social adjustment, and interpersonal relationships. There are significant barriers to accessing evidence‐based cognitive‐behavioral therapy as a first‐line treatment for obsessive‐compulsive disorder. Mobile health applications (Apps) offer a promising way to improve access to evidence‐based therapies while overcoming these barriers. The present study was to design and evaluate a prototype of a self‐help application for people with OCD (the most common pattern of OCD) based on the exposure and response prevention (ERP) technique.MethodsThis work was developed in four different phases. (1) Needs assessment: a thorough literature review, reviewing existing related programs and apps, and interviewing patients and psychiatrists; (2) Creating a paper prototype: considering the functional features identified in the previous phase using wireframe sketcher software. (3) Creating a digital prototype: developing an actual prototype using Axure RP software based on the information obtained from an expert panel's evaluation of the paper prototype. (4) Prototype usability evaluation: through a heuristic evaluation with experts and usability testing with patients using the SUS questionnaire.ResultsAfter requirement analysis, requirements were defined in the areas of information and educational elements, and functional capabilities. Prototypes designed based on identified requirements include capabilities such as in‐app online self‐help groups, assessing the severity of the symptoms of the disorder, psychological training, supportive treatment strategies, setting personalized treatment plans, tracking treatment progress through weekly reports provided, anxiety assessment, and setting reminders.ConclusionThe results of the heuristic evaluation with experts made it possible to identify how to provide information and implement the capabilities in a way that is more appropriate and easier for the user.
Ultrasound imaging and the culture of pregnancy management in low‐and middle‐income countries: A systematic review
Authors: Ibrahimi Janat , Mumtaz Zubia 
Published: September 2023

AbstractBackgroundObstetric ultrasound imaging is a relatively new, but rapidly expanding, technology in low‐ and middle‐income countries (LMICs). Given that new technologies modify practices, the influence of ultrasound on pregnancy management in LMICs is not comprehensively understood.ObjectivesTo map how ultrasound technology may be modulating the culture of pregnancy management in LMICs.Search StrategyA search of five databases up to November 18, 2022.Selection CriteriaOriginal, peer‐reviewed articles from LMICs, published in English from 2000 to 2022.Data Collection and AnalysisAll articles were assessed for quality using the GRADE approach. Data were analyzed thematically to generate new interpretive constructs and explanations.ResultsForty articles involving 113 000 respondents suggests that obstetric ultrasound is becoming the preferred method of pregnancy surveillance, replacing clinically important components of prenatal care. Mothers overestimate ultrasound as an all‐powerful diagnostic and “therapeutic” tool that can deliver the perfect baby. For‐profit providers are driving medically unnecessary scans while the poor do not receive the recommended scans.ConclusionUltrasound technology has modified the culture of pregnancy management in LMICs in unintended and possibly harmful ways. Private health services are pushing the detrimental trends. Limitations include generalizability of qualitative studies and insufficient attention to inequities.
Severe hemoperitoneum from spontaneous rupture of uterine tumor resembling ovarian sex‐cord tumor: A very rare case
Authors: EL Hayek Pamela , Chlala Walid , Younes Kenny , Ghaname Wadih , Ziadeh Hanane 
Published: September 2023

SynopsisA case of uterine tumor resembling ovarian sex‐cord tumor with an unfamiliar presentation. Management was performed based on the clinical findings and the literature recommendations.
Intraspecific difference of Latilactobacillus sakei in inflammatory bowel diseases: Insights into potential mechanisms through comparative genomics and metabolomics analyses
Authors: Liu Yaru , Duan Hui , Chen Ying , Zhang Chengcheng , Zhao Jianxin , Narbad Arjan , Tian Fengwei , Zhai Qixiao , Yu Leilei , Chen Wei 
Published: September 2023

AbstractInflammatory bowel diseases (IBDs) are chronic inflammatory diseases of the gastrointestinal tract that have become a global health burden. Studies have revealed that Latilactobacillus sakei can effectively alleviate various immune diseases, including colitis, rheumatoid arthritis, and metabolic disorders. Here, we obtained 72 strains of L. sakei from 120 fermentation and fecal samples across China. In total, 16 strains from different sources were initially screened in an in vitro Caco‐2 model induced by dextran sulfate sodium. Subsequently, six strains (four exhibiting effectiveness and two exhibiting ineffectiveness) were selected for further validation in an in vivo colitis mouse model. The results demonstrated that L. sakei strains exhibited varying degrees of amelioration of the colitis disease process. Notably, L. sakei CCFM1267, the most effective strain, significantly restored colon length and tight‐junction protein expression, and reduced the levels of cytokines and associated inflammatory enzymes. Moreover, L. sakei CCFM1267 upregulated the abundance of Enterorhabdus, Alloprevotella, and Roseburia, leading to increased levels of acetic acid and propionic acid. Conversely, the other four strains (L. sakei QJSSZ1L4, QJSSZ4L10, QGZZYRHMT1L6, and QGZZYRHMT2L6) only exhibited a partial remission effect, while L. sakei QJSNT1L10 displayed minimal impact. Therefore, L. sakei CCFM1267 and QJSNT1L10 were selected for further exploration of the mechanisms underlying their differential mitigating effects. Comparative genomics analysis revealed significant variations between the two strains, particularly in genes associated with carbohydrate‐active enzymes, such as the glycoside hydrolase family, which potentially contribute to the diverse profiles of short‐chain fatty acids in vivo. Additionally, metabolome analysis demonstrated that acetylcholine and indole‐3‐acetic acid were the main differentiating metabolites of the two strains. Therefore, the strains of L. sakei exhibited varying degrees of effectiveness in alleviating IBD‐related symptoms, and the possible reasons for these variations were attributed to discrepancies in the carbohydrate‐active enzymes and metabolites among the strains.
DOCK 6: Incorporating hierarchical traversal through precomputed ligand conformations to enable large‐scale docking
Authors: Balius Trent E. , Tan Y. Stanley , Chakrabarti Mayukh 
Published: September 2023

AbstractTo allow DOCK 6 access to unprecedented chemical space for screening billions of small molecules, we have implemented features from DOCK 3.7 into DOCK 6, including a search routine that traverses precomputed ligand conformations stored in a hierarchical database. We tested them on the DUDE‐Z and SB2012 test sets. The hierarchical database search routine is 16 times faster than anchor‐and‐grow. However, the ability of hierarchical database search to reproduce the experimental pose is 16% worse than that of anchor‐and‐grow. The enrichment performance is on average similar, but DOCK 3.7 has better enrichment than DOCK 6, and DOCK 6 is on average 1.7 times slower. However, with post‐docking torsion minimization, DOCK 6 surpasses DOCK 3.7. A large‐scale virtual screen is performed with DOCK 6 on 23 million fragment molecules. We use current features in DOCK 6 to complement hierarchical database calculations, including torsion minimization, which is not available in DOCK 3.7.
The stability of oxygen‐centered radicals and its response to hydrogen bonding interactions
Authors: Korotenko Vasilii , Zipse Hendrik 
Published: September 2023

AbstractThe stability of various alkoxy/aryloxy/peroxy radicals, as well as TEMPO and triplet dioxygen (3O2) has been explored at a variety of theoretical levels. Good correlations between RSEtheor and RSEexp are found for hybrid DFT methods, for compound schemes such as G3B3‐D3, and also for DLPNO‐CCSD(T) calculations. The effects of hydrogen bonding interactions on the stability of oxygen‐centered radicals have been probed by addition of a single solvating water molecule. While this water molecule always acts as a H‐bond donor to the oxygen‐centered radical itself, it can act as a H‐bond donor or acceptor to the respective closed‐shell parent.