bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental Confirmation of a Predicted Porous Hydrogen‐Bonded Organic Framework
Authors: Shields Caitlin E. , Wang Xue , Fellowes Thomas , Clowes Rob , Chen Linjiang , Day Graeme M. , Slater Anna G. , Ward John W. , Little Marc A. , Cooper Andrew I. 
Published: April 2023

AbstractHydrogen‐bonded organic frameworks (HOFs) with low densities and high porosities are rare and challenging to design because most molecules have a strong energetic preference for close packing. Crystal structure prediction (CSP) can rank the crystal packings available to an organic molecule based on their relative lattice energies. This has become a powerful tool for the a priori design of porous molecular crystals. Previously, we combined CSP with structure‐property predictions to generate energy‐structure‐function (ESF) maps for a series of triptycene‐based molecules with quinoxaline groups. From these ESF maps, triptycene trisquinoxalinedione (TH5) was predicted to form a previously unknown low‐energy HOF (TH5‐A) with a remarkably low density of 0.374 g cm−3 and three‐dimensional (3D) pores. Here, we demonstrate the reliability of those ESF maps by discovering this TH5‐A polymorph experimentally. This material has a high accessible surface area of 3,284 m2 g−1, as measured by nitrogen adsorption, making it one of the most porous HOFs reported to date.
New findings on the evolution of turtles: A symposium in honor of Marcelo S. de la Fuente
Authors: Sterli Juliana , Vlachos Evangelos 
Published: April 2023

AbstractWith their particular body plan within amniotes and their amazing fossil record, turtles represent a great interest for both neontologists and paleontologists with a strong anatomical background. The Turtle Evolution Symposia are regular international meetings that gather scientists working with different aspects related to the evolutionary history of turtles, from their origin and early evolution until recent times. The latest edition of the Turtle Evolution Symposium was organized in 2021 amidst the COVID‐19 outbreak and held virtually from the facilities of the Museo Paleontológico Egidio Feruglio in Trelew (Patagonia, Chubut, Argentina). More than 75 scientists from 25 countries presented their latest advances on topics related to turtle evolution, some of which are published in this Special Volume of The Anatomical Record. Both the Turtle Evolution Symposium 2021 and this Special Volume are dedicated to Marcelo S. de la Fuente who was the first researcher who specialized in the study of extinct turtles in South America, and his studies have an important regional and international impact.
L‐lactate production in engineered Saccharomyces cerevisiae using a multistage multiobjective automated design framework
Authors: Amaradio Matteo N. , Jansen Giorgio , Costanza Jole , Patanè Andrea , Branduardi Paola , Porro Danilo , Nicosia Giuseppe 
Published: April 2023

AbstractThe design of alternative biodegradable polymers has the potential of severely reducing the environmental impact, cost and production time currently associated with the petrochemical industry. In fact, growing demand for renewable feedstock has recently brought to the fore synthetic biology and metabolic engineering. These two interdependent research areas focus on the study of microbial conversion of organic acids, with the aim of replacing their petrochemical‐derived equivalents with more sustainable and efficient processes. The particular case of Lactic acid (LA) production has been the subject of extensive research because of its role as an essential component for developing an eco‐friendly biodegradable plastic—widely used in industrial biotechnological applications. Because of its resistance to acidic environments, among the many LA‐producing microbes, Saccharomyces cerevisiae has been the main focus of research into related biocatalysts. In this study, we present an extensive in silico investigation of S. cerevisiae cell metabolism (modeled with Flux Balance Analysis) with the overall aim of maximizing its LA production yield. We focus on the yeast 8.3 steady‐state metabolic model and analyze it under the impact of different engineering strategies including: gene knock‐in, gene knock‐out, gene regulation and medium optimization; as well as a comparison between results in aerobic and anaerobic conditions. We designed ad‐hoc constrained multiobjective evolutionary algorithms to automate the engineering process and developed a specific postprocessing methodology to analyze the genetic manipulation results obtained. The in silico results reported in this paper empirically show that our method is able to automatically select a small number of promising genetic and metabolic manipulations, deriving competitive strains that promise to impact microorganisms design in the production of sustainable chemicals.
Integrative single‐cell sequencing analysis distinguishes survival‐associated cells from the breast cancer microenvironment
Authors: Huang Ling , Qin Shijie , Xia Lingling , Ma Fei , Chen Liming 
Published: April 2023

AbstractBackgroundBreast cancer shows a highly complex tumor microenvironment by containing various cell types. Identifying prognostic cell populations in the tumor microenvironment will improve the mechanistical understanding of breast cancer and facilitate the development of new breast cancer therapies by targeting the tumor microenvironment. The development of single‐cell sequencing reveals various cell types, states, and lineages within the context of heterogenous breast tumors, but identifying phenotype‐associated subpopulations is challenging.ResultsHere, we applied Scissor (single‐cell identification of subpopulations with bulk Sample phenotype correlation) to integrate single cell and bulk data of breast cancer, and found that MHC‐deficient tumor cells, FABP5+ macrophages, and COL1A1+ cancer‐associated fibroblasts (CAFs) were detrimental to patient survival, while T cells and dendritic cells were the main protective cells. MHC‐deficient tumor cells show strong downregulation of MHC expression for immune evasion by downregulating interferon and JAK‐STATs signaling. FABP5+ macrophages show low antigen‐presenting activity via associating with lipid metabolism. Our data suggest that COL1A1+ CAFs may block T‐cell immune infiltration through cell interaction in breast tumor microenvironment.ConclusionTaken together, our study reveals survival‐associated subpopulations in breast tumor microenvironment. Importantly, subpopulations related to immune evasion of breast cancer is uncovered.
Supported Ionic Liquid Phase (SILP) Allylic Alkylation of Amines in Continuous Flow
Authors: Stagel Kristof , Pálvölgyi Ádám Márk , Delmas Clémence , Schnürch Michael , Bica‐Schröder Katharina 
Published: April 2023

AbstractWe present the use of Pd‐complex‐containing supported ionic liquid phases (SILPs) as a novel approach for continuous‐flow allylic alkylation of N‐nucleophiles. This immobilization strategy gave simple access to air‐tolerating catalyst frameworks, providing rapid and convenient access to various achiral and chiral N‐allylation products. Under optimized conditions, the flow‐reaction could be maintained for 3.5 hours with constant product output; meanwhile, only a marginal 0.7 wt % of ionic liquid leaching and no detectable palladium‐complex leaching could be observed.
Evaluation of the Antiparasitic and Antifungal Activities of Synthetic Piperlongumine‐Type Cinnamide Derivatives: Booster Effect by Halogen Substituents
Authors: Khan Tariq A. , Al Nasr Ibrahim S. , Koko Waleed S. , Ma Jingyi , Eckert Simon , Brehm Lucas , Ben Said Ridha , Daoud Ismail , Hanachi Riadh , Rahali Seyfeddine , van de Sande Wendy W. J. , Ersfeld Klaus , Schobert Rainer , Biersack Bernhard 
Published: April 2023

AbstractA series of synthetic N‐acylpyrrolidone and ‐piperidone derivatives of the natural alkaloid piperlongumine were prepared and tested for their activities against Leishmania major and Toxoplasma gondii parasites. Replacement of one of the aryl meta‐methoxy groups by halogens such as chlorine, bromine and iodine led to distinctly increased antiparasitic activities. For instance, the new bromo‐ and iodo‐substituted compounds 3 b/c and 4 b/c showed strong activity against L. major promastigotes (IC50=4.5–5.8 μM). Their activities against L. major amastigotes were moderate. In addition, the new compounds 3 b, 3 c, and 4 a–c exhibited high activity against T. gondii parasites (IC50=2.0–3.5 μM) with considerable selectivities when taking their effects on non‐malignant Vero cells into account. Notable antitrypanosomal activity against Trypanosoma brucei was also found for 4 b. Antifungal activity against Madurella mycetomatis was observed for compound 4 c at higher doses. Quantitative structure‐activity relationship (QSAR) studies were carried out, and docking calculations of test compounds bound to tubulin revealed binding differences between the 2‐pyrrolidone and 2‐piperidone derivatives. Microtubules‐destabilizing effects were observed for 4 b in T. b. brucei cells.
Facile Synthesis of ZnO/Ag Nanostructure with Enhanced Photocatalytic Activity
Authors: Huong Vu Hoang , Nguyen Tu Cam , Sai Cong Doanh , Pham Nguyen Hai , Ngac An Bang , Nguyen Thanh Binh , Van Bui Hong , Vu Van‐Phu , Nguyen Binh Thanh , Van Dang Long , Le Trang Thi Huyen , Nguyen Thu Thi , Van Do Dang 
Published: April 2023

AbstractA series of x%Ag/ZnO (x: 0; 1; 2; 5; 10) nanostructures were successfully synthesized through the facile method. The material's structures were confirmed through X‐ray diffraction, while their morphology, elemental distribution, and components were analyzed using cross‐sectional transmission electron microscopy (XTEM), Field‐emission scanning electron microscopy (FESEM). The optical properties of Ag/ZnO revealed a decrease in band gap from 3.2 eV to 2.83 eV and a significant reduction in photoluminescence intensity with increasing Ag nanoparticle loading on the surface of ZnO. The photocatalytic activity of synthesized Ag/ZnO flower‐like nanostructure was evaluated in the photodegradation of methylene blue (MB) under UV‐Vis irradiation. The photocatalytic results indicated that decorating Ag nanoparticles on the surface of ZnO improved the photodegradation of MB. Interestingly, the 5%Ag/ZnO showed the highest effectiveness, achieving a 99% removal efficiency of MB for 60 minutes under UV‐Vis irradiation. Notably, the ultra performance liquid chromatography‐ tandem mass spectroscopy (UPLC‐MS/MS) confirmed the structure of intermediates, while total organic carbon (TOC) removal was 47%. Moreover, the proposed mechanism for the charge transfer process was based on the results of radical scavenging experiments, which showed that superoxide was the dominant reactive species. Finally, the 5%Ag/ZnO was stable and reused at least five times.
Under‐recognition of leg dystonia in people with cerebral palsy
Authors: Aravamuthan Bhooma , Pearson Toni S. , Chintalapati Keerthana , Ueda Keisuke 
Published: April 2023

AbstractObjectiveTo determine the rates of clinical under‐documentation of leg dystonia in people with cerebral palsy (CP).MethodsIn this prospective cohort study, we identified independently ambulatory people age 10–20 years with CP‐associated spasticity seen in a tertiary care CP center between 1/1/20 and 11/4/21. Three pediatric movement disorders specialists assessed gait videos from these visits for leg dystonia using the Global Dystonia Rating Scale. We compared the gold standard expert consensus assessment for each patient with the clinical documentation of dystonia during a contemporaneous CP center clinic visit and also with dystonia documentation longitudinally in their medical record.ResultsOf 116 people with CP‐associated spasticity assessed in this study, 70 were found to have leg dystonia in their gait videos. Only 13% of these 70 individuals (n = 9/70) had leg dystonia documented in their contemporaneous CP center clinic visit, even though they were assessed during this visit by clinicians well trained in CP and dystonia assessment. Even with repeated assessment, only 54% (n = 38/70) of these individuals had leg dystonia documented in their medical record.ConclusionsLeg dystonia is clinically under‐documented in people with CP‐associated spasticity, even when these people are evaluated by well‐trained clinicians. Longitudinal evaluation and vigilance for leg dystonia is critical to address this diagnostic gap.
Bioequivalence Study of Ezetimibe Tablets After a Single Oral Dose of 10 mg in Healthy Japanese Subjects Under Fasting Conditions
Authors: Wada Shigenori , Sasagane Yoshiyuki , Kagatani Seiya , Nakagami Hiroaki 
Published: April 2023

AbstractThis study compared the pharmacokinetic and safety profiles between a new generic and a branded reference product of 10‐mg ezetimibe (EZE) tablets in 24 healthy Japanese male volunteers under fasting conditions, obtaining sufficient evidence for the marketing approval of the new generic product. The bioequivalence study was conducted with an open‐label, 2 × 2, single‐dose, crossover design in which the test and reference products were administered to volunteers after fasting for ≥10 hours. Blood samples were collected 24 times before to 72 hours after the administration of the investigational drug. We evaluated the peak drug concentration and the area under the plasma concentration–time curve up to the last measured concentration of EZE, EZEG, and total EZE (EZE + ezetimibe glucuronide [EZEG]). The 90% confidence intervals of the geometric mean ratios for peak drug concentration and area under the plasma concentration–time curve up to the last measured concentration of the test and reference products fell within the bioequivalence limits of 0.80 to 1.25 for EZE, EZEG, and total EZE. The test and reference products were well tolerated, and no adverse events occurred during the study. The test product was bioequivalent to the reference product.
Dynamic Covalent Reactions and Chirality Sensing with Diphenylethene Derived Hemiaminals
Authors: Jiang Guoshan , Wang Lifeng , Ye Hebo , Zou Hanxun , You Lei 
Published: April 2023

AbstractThe differentiation of enantiomers is of significance in synthetic chemistry and pharmaceutical chemistry. Herein, we report a facile method for chirality sensing of monoalcohols, a challenging target due to the poor reactivity, by combining dynamic covalent chemistry with helical chirality. Four diphenylethene (DPE) derived cyclic hemiaminals were constructed, and the incorporation of a broad range of alcohols and thiols with high efficiency was achieved. The reversibility was further verified by dynamic component exchange. The helical chirality of the DPE motif was induced through chirality transfer by the central chirality of the analytes, resulting in circular dichroism responses. The chirality differentiation of seven chiral secondary alcohols including both alkyl and aryl alcohols was realized, further allowing the quantification of enantiomeric excess with high accuracy. The results described should lay a foundation for future endeavors in chemical sensing, asymmetric synthesis, and chiroptical materials.
CRISPR‐Cas9 Genome Editing in the Moss Physcomitrium (Formerly Physcomitrella) patens
Authors: Wu Shu‐Zon , Ryken Samantha E. , Bezanilla Magdalena 
Published: April 2023

AbstractUntil recently, precise genome editing has been limited to a few organisms. The ability of Cas9 to generate double stranded DNA breaks at specific genomic sites has greatly expanded molecular toolkits in many organisms and cell types. Before CRISPR‐Cas9 mediated genome editing, P. patens was unique among plants in its ability to integrate DNA via homologous recombination. However, selection for homologous recombination events was required to obtain edited plants, limiting the types of editing that were possible. Now with CRISPR‐Cas9, molecular manipulations in P. patens have greatly expanded. This protocol describes a method to generate a variety of different genome edits. The protocol describes a streamlined method to generate the Cas9/sgRNA expression constructs, design homology templates, transform, and quickly genotype plants. © 2023 Wiley Periodicals LLC.Basic Protocol 1: Constructing the Cas9/sgRNA transient expression vectorAlternate Protocol 1: Shortcut to generating single and pooled Cas9/sgRNA expression vectorsBasic Protocol 2: Designing the oligonucleotide‐based homology‐directed repair (HDR) templateAlternate Protocol 2: Designing the plasmid‐based HDR templateBasic Protocol 3: Inducing genome editing by transforming CRISPR vector into P. patens protoplastsBasic Protocol 4: Identifying edited plants.
Regulatory mechanisms of GCN5 in osteogenic differentiation of MSCs in periodontitis
Authors: Lu Wei , Zhang Li , Ji Kun , Ding Ling , Wu Guofeng 
Published: April 2023

AbstractObjectivesThe regulatory mechanisms of GCN5 (General control non‐repressed protein5) in the osteogenic differentiation of mesenchymal stem cells (MSCs) in periodontitis are still unclear. The purpose of this review focuses on the regulating roles of GCN5 in bone metabolism and periodontitis, discusses the potential molecular mechanism and provides targets and new ideas for the treatment of periodontitis.Material and MethodsThe integrative review methodology was used. Data sources include PubMed, Cochrane Library, and additional sources.ResultsMSCs play an important role in the osteogenesis balance of periodontal tissue. Periodontal ligament stem cells (PDLSCs) from periodontitis patients exhibited defective osteogenic differentiation capacities. Histone acetylation is important in regulating the differentiation of different types of MSCs cells and is closely related to the reduced osteogenic differentiation of PDLSCs. GCN5, one of the first histone acetyltransferase linked to gene transcriptional activation, participates in many biological processes of mesenchymal stem cells. Downregulation of GCN5 expression and lack of GCN5 caused decreased osteogenic differentiation of PDLSCs. Intercellular information exchange may be an important way for MSCs to exert their regulatory and therapeutic functions.ConclusionsGCN5 affects the function of cell metabolism‐related genes by regulating the acetylation status of histones or non‐histones, thereby regulating some important progress of MSCs such as PDLSCs' osteogenic differentiation and BMCS osteogenic differentiation.
Case report of a pan‐cytokeratin negative NUT midline carcinoma of pulmonary origin, a BRD3‐NUT variant: Challenges in cytomorphologic presentation
Authors: Hwang Jay , Marinelli Lisa , Chormanski Diana , Rose Hannah , Williams Grant , Adams Thomas , Van Dellen Melissa 
Published: April 2023

AbstractNUT carcinoma is an aggressive malignancy defined genetically by a balanced translocation of the NUT gene on chromosome 15q14, most commonly associated with the bromodomain‐containing protein 4 (BRD4) gene on 19p13.1 but less frequently with variant genes, including BRD3 and NSD‐3. We present a case report of a metastatic pulmonary NUT carcinoma found to have a BRD3‐NUT fusion and to have only focal pan‐cytokeratin staining. Biopsy of the pulmonary mass revealed dyscohesive cells with enlarged nuclei, prominent nucleoli and high nuclear to cytoplasmic ratio without areas of squamous differentiation. Initial immunohistochemical stains were positive for NUT, p63 and retained SMARCA4, while negative for Lu‐5 (pan‐cytokeratin), TTF‐1, p40, S100 protein, OCT‐4, HMB‐45, SMA, and PAX‐8. Tempus ×T assay revealed a BRD3‐NUTM1 fusion gene. Post‐mortem analysis revealed an ill‐defined mass abutting the trachea and superior vena cava, as well as a perirenal mass.
The role of chemokines in type 1 diabetes‐associated neuropathy
Authors: Baldimtsi Evangelia , Papadopoulou‐Marketou Nektaria , Jenmalm Maria C. , Wahlberg Jeanette 
Published: April 2023

AbstractIntroductionTo investigate whether circulating chemokines contribute to the development of diabetic peripheral neuropathy (DPN) in patients with type 1 diabetes (T1D).MethodsFifty‐two patients with childhood‐onset T1D (mean age 28 ± 4 yrs.; diabetes duration 19.5 ± 5.5 yrs.) and 19 control subjects (mean age 26.5 ± 4.5 yrs.) were included in a cross‐sectional analysis of this long‐term longitudinal cohort study. A subgroup of 24 patients was followed prospectively for a further 10 yrs. Plasma levels of Th1‐ (CXCL9, CXCL10 and CXCL11), Th2‐ (CCL17 and CCL22) and Th17‐associated (CXCL8 and CCL20) chemokines were assessed in all subjects. Additionally, the TID patients underwent clinical examination and electroneurography.ResultsThe frequency of neuropathy was 21% (11/52). Higher levels of CXCL9 levels were found in patients with DPN compared with control subjects (p = .019); by contrast, no difference between patients without DPN and control subjects was seen after adjustment for multiple comparisons. In patients with DPN, CXCL10 correlated negatively with suralis MCV and suralis SNAP (rho −0.966, p < .001 and rho −0.738, p < .001, respectively) and was positively correlated with the vibration perception threshold (rho 0.639, p = .034), while CXCL8 correlated negatively with the cold perception threshold (rho −0.645, p = .032). The frequency of neuropathy increased to 54% (13/24) in the subgroup of 23 TID patients, followed by an additional 10 yrs.ConclusionsChanges in Th1‐ and Th17‐associated chemokines were associated with impaired peripheral sensory nerve function and nerve conduction after long disease duration in childhood‐onset T1D.
Hydrogenation of Olefins Catalyzed by a Cobalt(I) Hydride Complex with N‐Heterocyclic Silylene
Authors: Jia Hongwei , Du Shaozhi , Xu Chuangchuang , Mo Zhenbo 
Published: April 2023

AbstractHerein, we report the synthesis, characterization, and reactivity of the cobalt(I) complexes with an N‐heterocyclic imino substituted silylene. The cobalt(I) hydride complex exhibits high catalytic efficiency and chemoselectivity as well as good functional group compatibility in the hydrogenation of olefins.
Effect of Extraction Method on the Yield and Quality of Mullet Roe Oil
Authors: Georgiou Despoina , Tzika Paraskevi , Charisis Aggelos , Kalogianni Eleni P. 
Published: April 2023

AbstractStriped mullet (Mugil cephalus) roe is used for the production of high nutritional and added‐value delicacies. Its lipid fraction is rich in polyunsaturated fatty acids (PUFA) and bioactive compounds. This study examines scalable oil extraction methods for mullet roe oil extraction. Namely, solvent extraction (SE) using ethanol in two different temperatures, supercritical fluid extraction (SFE) using CO2‐ethanol mixture (SFE‐E) in two different temperatures, expeller oil press (EP) extraction, expeller oil press combined with ethanol extraction (EP‐SE) and wet reduction (WR) are examined. The methods are evaluated with regard to the oil yield and recovery, the oil oxidation and the composition in fatty acids, and polar compounds and unsaponifiable matter. EP‐SE and SE provide the highest oil recovery for tested extraction temperatures (76% and 65% respectively), followed by SFE‐E (46%) and EP (36%). Extracted oils present high PUFA content (28.5–33.9%). The type of extraction process and the process variables affect oil oxidation as well as the concentration of polar compounds and unsaponifiable matter. In terms of oxidation levels, 85% of the extracted oil samples were within the limits set by the Codex Alimentarius Commission. The potential of the examined methods for industrial mullet roe oil production is discussed.Practical applications: Oil rich in polyunsaturated fatty acids was extracted from stripped mullet roe. The work proposes several scalable extraction methods using mild conditions which could be applied to obtain edible and high nutritional value mullet roe oil with high recovery reaching up to 76%. The same methods could be employed also for mullet roe by‐products. The obtained results improve the knowledge regarding the potential of roe valorization for oil extraction as well as the effect of the extraction method on the oil yield, main composition features and the quality characteristics of oil extracted by mullet roe. This research could offer new opportunities for the food industry for fish roe valorization for high nutritional quality oil production.