bluuebunny/crossref_metadata_2025_split huggingface dataset:
Allosterically Regulated Guest Binding Determines Framework Symmetry for an FeII4L4 Cage
Authors: Xue Weichao , Wu Kai , Ouyang Nianfeng , Brotin Thierry , Nitschke Jonathan R. 
Published: March 2023

AbstractSelf‐assembly of a flexible tritopic aniline and 3‐substituted 2‐formylpyridine subcomponents around iron(II) templates gave rise to a low‐spin FeII4L4 capsule, whereas a high‐spin FeII3L2 sandwich species formed when a sterically hindered 6‐methyl‐2‐formylpyridine was used. The FeII4L4 cage adopted a new structure type with S4 symmetry, having two mer‐Δ and two mer‐Ʌ metal vertices, as confirmed by NMR and X‐ray crystallographic analysis. The flexibility of the face‐capping ligand endows the resulting FeII4L4 framework with conformational plasticity, enabling it to adapt structurally from S4 to T or C3 symmetry upon guest binding. The cage also displayed negative allosteric cooperativity in simultaneously binding different guests within its cavity and at the apertures between its faces.
Linear and Bent Cp*2Si: Reversible Phase Transition of a Key Molecule
Authors: Ruth Paul Niklas , Sarcevic Julijan , Herbst‐Irmer Regine , Sindlinger Christian P. , Stalke Dietmar 
Published: March 2023

AbstractThe solid‐state structure of decamethylsilicocene Cp*2Si with a bent and a linear molecule in the same unit cell was so far considered an exception in relation to the structures of its all‐bent heavier analogues Cp*2E with E=Ge, Sn, Pb. Here, we present the solution to this conundrum by reporting a low‐temperature phase, where all three symmetrically independent molecules are present in a bent formation. This reversible enantiotropic phase transition occurs in the temperature range between 80 K and 130 K and provides a rationale for the unexpected linear molecule based in entropy beyond hand‐waving explanations such as electronic reasons or packing effects.
Single‐ion conducting polymer as lithium salt additive in polymerized ionic liquid block copolymer electrolyte
Authors: Goujon Nicolas , Mendes Tiago , Barlow Kristine J. , Kerr Robert , O'Dell Luke A. , Chiefari John , Howlett Patrick C. , Forsyth Maria 
Published: March 2023

AbstractHerein, we describe the use of single‐ion conducting block copolymer (SIC) as an additional lithium salt additive to a ternary solid polymer electrolyte (SPE), consisting of a poly(styrene‐b‐1‐((2‐acryloyloxy)ethyl)‐3‐butylimidazolium bis(trifluoromethanesulfo‐nyl)imide) (S‐ImTFSI64‐16) block copolymer, a N‐propyl‐N‐methylpyrrolidinium bis(fluorosulfonyl)imide (C3mpyrFSI) ionic liquid (IL) and a lithium bis(fluorosulfonyl) imide (LiFSI) salt. For this purpose, the S‐ImTFSI64‐16 was substituted by a SIC, based on poly(styrene‐b‐((4‐styrenesulfonyl)(trifluoromethanesulfonyl)imide lithium salt)) (S‐STFSILi64‐16), at various molar ratios. The impact of the SIC concentration on the phase behavior and transport properties of the SPEs was investigated by means of differential scanning calorimetry, electrochemical impedance spectroscopy, and diffusion NMR. In addition, the electrochemical performance of the SPEs was assessed in lithium symmetrical cell at 50 and 80°C. Finally, the cycling performance of a selected SPE was also assessed at 80°C in a Li│NMC111 cell with capacity loading of 1.3 mAh.cm−2 at a C‐rate of 0.1 C. The Li│NMC111 full cell was able to deliver a stable capacity of 0.94 mAh.cm−2 after 20 cycles, corresponding to a capacity of 117 mAh.g−1. These results demonstrates that PIL block copolymer—IL—salt composites represent a promising choice of electrolyte for the next generation of solid‐state high energy density lithium metal batteries.
Functionalized carbon nanotubes/polyimide nanocomposites with high energy density for high‐temperature dielectric materials
Authors: Zhou Liang , Li Chenjian , Wu Wenwen , Xiong Chuanxi , Gao Zhaodongfang 
Published: March 2023

AbstractPolymer‐based dielectric capacitors have attracted much attention because of their good flexibility, lightness, and high‐power density. However, the current polymer dielectric capacitors usually have too low energy density and cannot be used in high temperature environments, which limits the further development. Therefore, it has become increasingly important to develop high‐temperature dielectric materials with high energy density and low dielectric loss. In this study, long‐chain functionalized carbon nanotubes (CNTF) were introduced in Polyimide (PI) to obtained CNTF/PI composite film. CNTF have good compatibility with polymer and can solve the dispersion problem. The CNTF/PI composite film exhibits good dielectric property and an ultralow dielectric loss of 0.015. Especially, the discharged energy density of 3.77 J/cm3 of CNTF/PI composite film is the highest discharged energy density of reported polyimide‐based dielectric films at 300 MV/m. Therefore, these polyimide‐based dielectric materials are promising in the high temperature field of novel high‐performance film dielectric capacitor.
Understanding the Electrochemical and Interfacial Behavior of Sulfolane based Electrolyte in LiNi0.5Mn1.5O4‐Graphite Full‐Cells
Authors: Salian Girish D. , Mathew Alma , Gond Ritambhara , van Ekeren Wessel , Højberg Jonathan , Fink Elkjær Christian , Lacey Matthew J. , Heiskanen Satu Kristiina , Brandell Daniel , Younesi Reza 
Published: March 2023

AbstractAn ethylene carbonate‐free electrolyte composed of 1 M lithium bis(fluorosulfonyl) imide (LiFSI) in sulfolane (SL) is studied here for LiNi0.5Mn1.5O4‐graphite full‐cells. An important focus on the evaluation of the anodic stability of the SL electrolyte and the passivation layers formed on LiNi0.5Mn1.5O4 (LNMO) and graphite is being analysed along with intermittent current interruption (ICI) technique to observe the resistance while cycling. The results show that the sulfolane electrolyte shows more degradation at higher potentials unlike previous reports which suggested higher oxidative stability. However, the passivation layers formed due to this electrolyte degradation prevents further degradation. The resistance measurements show that major resistance arises from the cathode. The pressure evolution during the formation cycles suggests that there is lower gas evolution with sulfolane electrolyte than in the conventional electrolyte. The study opens a new outlook on the sulfolane based electrolyte especially on its oxidative/anodic stability.
Expanding the CRISPR toolbox for Chinese hamster ovary cells with comprehensive tools for Mad7 genome editing
Authors: Rojek Johan B. , Basavaraju Yogesh , Nallapareddy Saranya , Bulté Dubhe B. , Baumgartner Roland , Schoffelen Sanne , Grav Lise M. , Goletz Steffen , Pedersen Lasse E. 
Published: March 2023

AbstractThe production of high‐value biopharmaceuticals is dominated by mammalian production cells, particularly Chinese hamster ovary (CHO) cells, which have been widely used and preferred in manufacturing processes. The discovery of CRISPR‐Cas9 significantly accelerated cell line engineering advances, allowing for production yield and quality improvements. Since then, several other CRISPR systems have become appealing genome editing tools, such as the Cas12a nucleases, which provide broad editing capabilities while utilizing short guide RNAs (gRNAs) that reduce the complexity of the editing systems. One of these is the Mad7 nuclease, which has been shown to efficiently convey targeted gene disruption and insertions in several different organisms. In this study, we demonstrate that Mad7 can generate indels for gene knockout of host cell proteins in CHO cells. We found that the efficiency of Mad7 depends on the addition of protein nuclear localization signals and the gRNAs employed for genome targeting. Moreover, we provide computational tools to design Mad7 gRNAs against any genome of choice and for automated indel detection analysis from next‐generation sequencing data. In summary, this paper establishes the application of Mad7 in CHO cells, thereby improving the CRISPR toolbox versatility for research and cell line engineering.
Intramuscular innervation of the tensor fasciae latae: Application to total hip arthroplasty
Authors: Choi Seonui , Yang Hun‐Mu , Cho Tae‐Hyeon , Yeo In‐Seung , Won Sung‐Yoon 
Published: March 2023

AbstractThe aims of this study were to clarify the extra‐ and intramuscular branching patterns of the tensor fasciae latae (TFL) with reference to surface landmarks on the thigh and to thus suggest a safe approach for total hip arthroplasty. Sixteen fixed and four fresh cadavers were dissected and subjected to the modified Sihler's staining method to reveal the extra‐ and intramuscular innervation patterns, and the findings were matched with surface landmarks. The landmarks were measured from the anterior superior iliac spine (ASIS) to the patella and divided into 20 parts along the total length. The average vertical length of the TFL was 15.92 ± 1.61 cm, which was 38.79 ± 2.73% when converted to a percentage. The entry point of the superior gluteal nerve (SGN) was an average of 6.87 ± 1.26 cm (16.71 ± 2.55%) from the ASIS. In all cases, the SGN entered parts 3–5 (10.1%–25%). As the intramuscular nerve branches traveled distally, they had a tendency to innervate more deeply and inferiorly. In all cases, the main SGN branches were intramuscularly distributed in parts 4 and 5 (15.1%–25%). Most tiny SGN branches were found inferiorly in parts 6 and 7 (25.1%–35%). In three of 10 cases, very tiny SGN branches were observed in part 8 (35.1%–38.79%). We did not observe SGN branches in parts 1–3 (0%–15%). When information on the extra‐ and intramuscular nerve distributions was combined, we found that the nerves were concentrated in parts 3–5 (10.1%–25%). We propose that damage to the SGN can be prevented if parts 3–5 (10.1%–25%) are avoided during surgical treatment, particularly during the approach and incision.
A controlling nutritional status score is an independent predictor for patients with newly diagnosed nasal‐type extranodal NK/T‐cell lymphoma based on asparaginase‐containing regimens
Authors: Wu Wanchun , Ren Kexin , Chen Xi , Li Na , Zhou Huijie , Jiang Ming , Yu Youhui , Zou Liqun 
Published: March 2023

AbstractBackgroundThe controlling nutritional status (CONUT) score is a nutritional index that combines serum albumin, total cholesterol, and lymphocyte counts. The potential value of CONUT score for predicting clinical outcomes in patients with nasal‐type extranodal NK/T‐cell lymphoma (ENKTL) has not been explored.MethodsThis study included 374 ENKTL patients treated with asparaginase‐containing regimens from September 2012 to September 2017. Clinical characteristics, treatment efficacy, prognostic factors, and the predictive value of CONUT score were analyzed.ResultsThe complete response (CR) and overall response rate (ORR) were 54.8% and 74.6%, respectively. Patients with CONUT scores <2 had higher CR and ORR compared to patients with scores ≥2 (69.1% vs. 48.9% for CR, p = 0.001; 90.0% vs. 74.6% for ORR, p < 0.001). The 5‐year overall survival (OS) and progression‐free survival (PFS) rates were 61.9% and 57.3%, respectively. Patients with CONUT scores <2 had better survival outcomes than those with scores ≥2 (5‐year OS, 76.1% vs. 56.0%, p < 0.001; 5‐year PFS, 74.4% vs. 50.1%, p < 0.001). CONUT score ≥2 was identified as an independent poor prognostic factor for both OS and PFS. A CONUT score ≥2 was also associated with poorer survival outcomes in low‐risk ENKTL patients.ConclusionA CONUT score ≥2 is a prognostic marker for poor survival in patients with ENKTL and could be used to stratify risk in low‐risk patients.
New Polyketide and Sesquiterpenoid Derivatives from the Magellan Seamount‐Derived Fungus Penicillium rubens AS‐130
Authors: Ying Zhen , Li Xiao‐Ming , Yang Sui‐Qun , Wang Bin‐Gui , Li Hong‐Lei , Meng Ling‐Hong 
Published: March 2023

AbstractRubenpolyketone A (1), a polyketide featuring a new carbon skeleton having cyclohexenone condensed with a methyl octenone chain and a new linear sesquiterpenoid, chermesiterpenoid D (2), together with seven known secondary metabolites (3–9) were isolated and identified from the Magellan Seamount‐derived fungus Penicillium rubens AS‐130. Their structures were determined based on detailed analysis of NMR and mass spectroscopic data and the absolute configurations of these two new compounds were elucidated by the combination of quantum mechanical (QM)‐NMR and time‐dependent density functional (TDDFT) ECD calculation approaches. Chermesiterpenoids B (3) and C (4) showed potent inhibitory activities against the aquatic pathogen Vibrio anguillarum with MIC values of 0.5 and 1 μg/mL, respectively, while chermesin F (6) exhibited activity against Escherichia coli with MIC value of 1 μg/mL.
Low gamma‐butyrobetaine dioxygenase (BBOX1) expression as a prognostic biomarker in patients with clear cell renal cell carcinoma: a machine learning approach
Authors: Kim Kyu‐Shik , Moon Kyoung Min , Min Kyueng‐Whan , Jung Woon Yong , Shin Su‐Jin , Lee Seung Wook , Kwon Mi Jung , Kim Dong‐Hoon , Oh Sukjoong , Noh Yung‐Kyun 
Published: March 2023

AbstractGamma‐butyrobetaine dioxygenase (BBOX1) is a catalyst for the conversion of gamma‐butyrobetaine to l‐carnitine, which is detected in normal renal tubules. The purpose of this study was to analyze the prognosis, immune response, and genetic alterations associated with low BBOX1 expression in patients with clear cell renal cell carcinoma (RCC). We analyzed the relative influence of BBOX1 on survival using machine learning and investigated drugs that can inhibit renal cancer cells with low BBOX1 expression. We analyzed clinicopathologic factors, survival rates, immune profiles, and gene sets according to BBOX1 expression in a total of 857 patients with kidney cancer from the Hanyang University Hospital cohort (247 cases) and The Cancer Genome Atlas (610 cases). We employed immunohistochemical staining, gene set enrichment analysis, in silico cytometry, pathway network analyses, in vitro drug screening, and gradient boosting machines. BBOX1 expression in RCC was decreased compared with that in normal tissues. Low BBOX1 expression was associated with poor prognosis, decreased CD8+ T cells, and increased neutrophils. In gene set enrichment analyses, low BBOX1 expression was related to gene sets with oncogenic activity and a weak immune response. In pathway network analysis, BBOX1 was linked to regulation of various T cells and programmed death‐ligand 1. In vitro drug screening showed that midostaurin, BAY‐61‐3606, GSK690693, and linifanib inhibited the growth of RCC cells with low BBOX1 expression. Low BBOX1 expression in patients with RCC is related to short survival time and reduced CD8+ T cells; midostaurin, among other drugs, may have enhanced therapeutic effects in this context.
Improved Strategies for Separators in Zinc‐Ion Batteries
Authors: Li Le , Jia Shaofeng , Cheng Zhiyi , Zhang Changming 
Published: March 2023

AbstractThe demand for energy storage is growing, and the disadvantages of lithium‐ion batteries are being explored to overcome them. Accordingly, aqueous zinc‐ion batteries (ZIBs) are developing very rapidly, owing to their high safety, environmental friendliness, high abundance of resources, and high cost performance. Over the last decade, ZIBs have made remarkable progress through extensive efforts in the field of electrode materials and through fundamental understanding of non‐electrode components, such as solid‐electrolyte interphase, electrolytes, separators, binders, and current collectors. In particular, the breakthrough in using separators on non‐electrode elements should not be overlooked as such separators have proven key to conferring ZIBs with high energy and power density. In this Review, recent progress in the development of separators in ZIBs is comprehensively summarized based on their functions and roles in ZIBs, including the modification of conventional separators and the development of novel separators. Finally, the prospects and future challenges of separators are also discussed to facilitate ZIBs development.
Comprehensive review on functional and nutraceutical properties of honey
Authors: Aga Mohsin B. , Sharma Vaibhav , Dar Aamir H. , Dash Kshirod K. , Singh Anurag , Shams Rafeeya , Khan Shafat A. 
Published: March 2023

AbstractMost physiopathological conditions are oxidative stress prevalent risk factors for cardiovascular diseases and carcinogenesis. Phytochemicals present in honey can mitigate the primary mechanisms of oxidative stress and are deliberated as nutraceutical food responsible for mitigating risk factors for cancer and cardiovascular diseases. Honey has a low glycemic index, loaded with polyphenols, enzymes, minerals, and vitamins. Honey possesses antimicrobial, anti‐inflammatory, antidiabetic, and other functional characteristics in addition to its nutritional properties, as previously demonstrated in preclinical trials. Honey promotes gastrointestinal digestion and increases absorption of nutrients by the epithelial cells of the intestinal mucosa. Bioactive components in honey exhibit free‐radical scavenging ability in preserving the structural orientation of lipids through electron or proton donation, thus playing a pivotal role in suppressing risk factor elements such as kappa‐B pathways. Several factors such as botanical, geographical, soil, climatic conditions, season of harvesting, extraction, storage conditions, degree of maturation, and processing affect the physical and chemical properties of honey. The purpose of this review is to discuss the functional and nutritional qualities of honey also this article discusses honey's cardiovascular protective, gene regulatory, and antiradical characteristics, which are important variables in cancer and cardiovascular disease.
Reactions in Endohedral Functionalized Cages
Authors: Otte Matthias 
Published: March 2023

AbstractThe introduction of enhanced functionalization is a key aspect in the current design of cage chemistry. At the moment, several approaches are intensively investigated. The synthesis of cage compounds that display endohedral functionalization plays a key role among them. Here, the studies of reactions that occur in endohedral‐functionalized cage compounds is reviewed. After an introduction in current trends in cage‐chemistry the discussion of reactions in endohedral‐cage compounds is divided into three sections. These are: 1) Endohedral groups that are by themselves functional, 2) endohedral groups that can bind to a transition‐metal complex and 3) endohedral groups that can bind by themselves to a metal. The article closes with an outlook on additional current developments in the field of endohedral‐functionalized cage‐compounds, which may contribute in the future towards reactivity in cage compounds.
Electrochemical modification of a carbon paste electrode with poly (1,5‐diaminonaphthalene) and copper‐cobalt nanostructures for the determination of thioctic acid in real samples
Authors: AbdAllah Mahmoud , Hathoot A. A. , Abdel‐Azzem M. 
Published: March 2023

AbstractThis study used square‐wave voltammetry and cyclic voltammetry to investigate the electrochemical oxidation of Thioctic Acid (TA) on a Carbon Paste Electrode (CPE) modified with copper‐cobalt nanostructures and poly (1,5‐Diaminonaphthalene). The voltammetric sensor was sensitive to the oxidation of TA. In addition, we optimized the effects of multiple cycles of deposition of Cu‐Co nanostructures, and electro‐polymerization of monomer 1,5‐DAN, scan rate, and pH. The sensor showed good identification capabilities for TA. The linear responses obtained ranged from 0.6 μM to 150 μM with a detection limit of 0.48 μM for the modified CPE. The adsorption process controlled the oxidation of TA. We used the proposed sensor and method to determine TA in real samples.
Risk evaluation and mitigation strategies for newly detected SARS‐CoV‐2 Omicron BF.7 subvariant: A brief report
Authors: Nazmunnahar  , Ahmed Iftekhar , Islam Md. Rabiul 
Published: March 2023

AbstractMutations of the severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) are always going on. The pathogenic characteristics of a virus are influenced by mutations in the viral genome. Therefore, the recently identified Omicron BF.7 subvariant might harm humans. Here we aimed to evaluate the potential risks of this newly detected variant and identify possible mitigation strategies. The frequent mutation associated with SARS‐CoV‐2 makes it more concerning compared to other viruses. The Omicron variant of SARS‐CoV‐2 has unique changes in the structural amino acid. Thus, Omicron subvariants are different from other coronavirus variants in terms of viral spread, disease severity, vaccine neutralization capacity, and immunity evade. Moreover, Omicron subvariant BF.7 is an offspring of BA.4 and BA.5. Similar S glycoprotein sequences are present among BF.7, BA.4, and BA.5. There is a change in the R346T gene in the receptor binding site of Omicron BF.7 than other Omicron subvariants. This BF.7 subvariant has created a limitation in current monoclonal antibody therapy. Omicron has mutated since it emerged, and the subvariants are improving in terms of transmission as well as antibody evasion. Therefore, the healthcare authorities should pay attention to the BF.7 subvariant of Omicron. The recent upsurge may create havoc all of a sudden. Scientists and researchers across the world should monitor the nature and mutations of SARS‐CoV‐2 variants. Also, they should find ways to fight the current circulatory variants and any future mutations.
Predictors of autism spectrum disorder diagnosis in a spanish sample of preterm children with very low birthweight: A cross‐sectional study
Authors: Magán‐Maganto María , Canal‐Bedia Ricardo , Bejarano‐Martín Álvaro , Martín‐Cilleros Maria Victoria , Hernández‐Fabián Aránzazu , Calvarro‐Castañeda Andrea Luz , Roeyers Herbert , Jenaro‐Río Cristina , Posada de la Paz Manuel 
Published: March 2023

AbstractBackground and AimsAutism spectrum disorder (ASD) is a neurodevelopmental disorder with a higher likelihood of being diagnosed in preterm populations. Likewise, low birthweight has also been connected with an increased likelihood of ASD. The objectives were to study the frequency and define the relationship between ASD, gestational age, birthweight, and growth percentiles for preterm children.MethodsA sample of preterm children with very low birthweight was selected from the Spanish population at 7–10 years old. Families were contacted from the hospital, and they were offered an appointment to conduct a neuropsychological assessment. The children who showed signs of ASD were referred to the diagnostic unit for differential diagnosis.ResultsA total of 57 children completed full assessments, with 4 confirmed ASD diagnoses. The estimated prevalence was 7.02%. There were statistically significant weak correlations between ASD and gestational age (τb = −0.23), and birthweight (τb = −0.25), suggesting there is a higher likelihood of developing ASD for those born smaller or earlier in their gestation.ConclusionThese results could improve ASD detection and outcomes for this vulnerable population while also supporting and enhancing previous findings.