bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluorinated Solvent Molecule Tuning Enables Fast‐Charging and Low‐Temperature Lithium‐Ion Batteries
Authors: Mo Yanbing , Liu Gaopan , Yin Yue , Tao Mingming , Chen Jiawei , Peng Yu , Wang Yonggang , Yang Yong , Wang Congxiao , Dong Xiaoli , Xia Yongyao 
Published: July 2023

AbstractPopularly‐used fluorination can effectively weaken Li+‐solvent interaction to facilitate the desolvation process at low temperature; however, high fluorination degree sacrifices salt dissociation and ionic conductivity. Herein, functional fluorinations are well tuned with different amounts of F atoms to balance Li+‐solvent binding energy and ion movement, which reveals the fluorination effect on the solvation behavior and low‐temperature performance. Noteworthily, the moderately‐fluorinated ethyl difluoroacetate (EDFA) successfully favors a lower binding energy than less‐fluorinated ethyl fluoroacetateand superior salt dissociation more than highly‐fluorinated ethyl trifluoroacetate, realizing the trade‐off between weak affinity and sufficient ionic conductivity. The well‐formulated EDFA‐based electrolyte exhibits a unique solvation sheath and generates inorganic‐rich solid electrolyte interphase with low resistance for smooth Li+ diffusion, which enables graphite anodes with excellent fast‐charging capability (196 mAh g−1 at 6 C) and impressive low‐temperature performance with a reversible capacity of 279 mAh g−1 under −40 °C. Subsequently, the wide electrochemical potential window of EDFA‐based electrolyte endows the 1.2 Ah LiNi0.8Co0.1Mn0.1O2 (NCM811)||graphite pouch cells with a high reversible capacity retention of 58.3% at −30 °C and discharge capacity of 790 mAh at −40 °C. Such solvent molecules with a moderately‐fluorinated strategy promise advanced electrolyte design for lithium‐ion batteries operating under harsh conditions.
Topology and porosity control on zirconium–fumarate frameworks boosting xenon/krypton separation
Authors: Chen Rundao , Sheng Bin , Zheng Fang , Li Jiaqi , Sun Haoran , Zhou Fangru , Chen Lihang , Zhang Zhiguo , Yang Qiwei , Ren Qilong , Bao Zongbi 
Published: July 2023

AbstractThe designability and ultrahigh stability of zirconium–organic frameworks make them attractive adsorbents for noble gases xenon (Xe) and krypton (Kr), but their Xe/Kr separation performance needs to be further enhanced. In this study, we rationally control the topology and porosity of zirconium–fumarate frameworks by simply changing the synthesis conditions, and successfully construct an adsorbent (named as MIP‐203‐F) with one‐dimensional pore instead of the original cage‐like fcu metal–organic framework MOF‐801. The Xe/Kr separation performance of MIP‐203‐F is thoroughly evaluated by isotherm measurements and breakthrough experiments, while the adsorption mechanism is elucidated in detail by Monte Carlo and density functional theory calculations. Due to the uniform pore with suitable size and abundant polarization groups, MIP‐203‐F can differentially polarize and recognize atomic Xe/Kr gases, and establishes a new record among zirconium–organic frameworks for the capture and separation of Xe/Kr.
Explicit model predictive control through robust optimization
Authors: Pappas Iosif , Diangelakis Nikolaos A. , Pistikopoulos Efstratios N. 
Published: July 2023

AbstractA strategy that calculates an explicit state feedback policy to regulate constrained uncertain discrete‐time uncertain linear systems is presented. We consider uncertain processes, affected by box‐bounded multiplicative uncertainty as well as bounded additive uncertainty with linear state and inputs constraints. The proposed method includes (i) the calculation of a terminal set constraint and (ii) the robust reformulation of state constraints in the prediction horizon. These features allow the derivation of the desired policy by solving a single multiparametric quadratic programming problem that guarantees feasible operation in the presence of uncertainty. Additionally, we employ variable and constraint elimination approaches to enhance the computational performance of the strategy. We demonstrate the steps and benefits of these developments with a numerical example and a chemical engineering case study.
Demographic and reproductive impacts of hybridization unrelated to hybrid viability in a native plant
Authors: Greaves Elaina , Kron Paul , Husband Brian C. 
Published: July 2023

AbstractPremiseIntroduced species can influence native congeners through production of hybrids and introgression, but impacts not involving viable hybrids, such as reduced conspecific offspring and increased asexual seed production, are rarely examined. Here we tested for these demographic and reproductive consequences of hybridization between introduced, domesticated apple (Malus domestica) and native crabapple (M. coronaria) in southern Canada.MethodsWe applied four pollination treatments (open,M. coronaria,M. domestica, open +M. coronaria) to focalM. coronariatrees across multiple years and assessed the number and reproductive origins of resulting seeds (hybrid or conspecific endosperm and, for each, sexual or asexual embryo) using flow cytometry.ResultsIn open‐pollinated fruit, 27% of seeds had hybrid endosperm; 52% of embryos were asexual. The number of conspecific embryos (sexual or asexual) per fruit did not decline significantly with increasing hybridization, indicating no seed discounting, but hand pollinations using only domestic apple or crabapple pollen reduced the number of conspecific embryos significantly. Hybridization was not associated with a change in percentage asexual embryos, overall, but there was an increase in asexual embryos in tetraploid seeds, the maternal and most common offspring ploidy.ConclusionsWe conclude that hybridization can influence nativeMalusin ways beyond the production of viable hybrids, with significant implications for population dynamics and genetic structure.
Skeletal, dental, and sexual maturation as an indicator of pubertal growth spurt
Authors: Ercan Derviş Emre , Yüksel Sema 
Published: July 2023

AbstractObjectivesThe aims of this study were to determine the skeletal, dental, and sexual maturation stages of individuals at the peak of the pubertal growth spurt and to analyze the correlations between these parameters.MethodsThe study included 98 patients, 49 females (mean chronological age 12.05 ± 0.96 years) and 49 males (mean chronological age: 13.18 ± 0.86 years), in the MP3cap stage. Skeletal maturation stages were determined using the cervical vertebral maturation (CVM) method on lateral cephalometric radiographs. The Demirjian index was used to determine dental maturation stages and dental ages on panoramic radiographs. The sexual maturation of the patients was evaluated in the pediatric endocrinology clinic by a pediatrician according to the Tanner stages. The frequencies of the variables were determined, and the Spearman rank correlation coefficients were used to analyze the correlations between the variables.ResultsIt was determined that the cervical vertebral maturation stage was CS3 in 81.6% (n = 40) of both female and male patients, and 81.6% of the female and 89.8% of the male patients were in stage G in terms of mandibular second molar tooth development. According to the Tanner pubic hair staging, 73.5% of the male and 51.0% of the female patients were in Stage 3. A significant correlation was found between the cervical vertebra stages and mandibular second molar tooth development stages in both sexes and between the cervical vertebra and Tanner pubic hair stages only among the male patients (r = 0.357;p < .05). There was also a significant and strong correlation between the Tanner pubic hair stages and breast development stages (r = 0.715;p < .05).ConclusionCervical vertebral development in the CS3 stage and mandibular molar tooth development in the G stage can be considered the peak of the pubertal growth spurt. Tanner Stage 3 marks the peak of the pubertal growth spurt in males.
Organocatalyst‐Controlled Divergent Asymmetric Aza‐Friedel‐Crafts Reactions of Indol‐3‐ones with 1‐ and 2‐Naphthols
Authors: Zheng Jie , Rong Meng‐Yu , Feng Fang‐Fang , Zhang Fa‐Guang , Cheung Chi Wai , Ma Jun‐An 
Published: July 2023

AbstractIndol‐3‐ones are readily available reaction substrates, but their utility in asymmetric reactions is underdeveloped. Herein, we describe the organocatalytic asymmetric aza‐Friedel‐Crafts‐type reaction of indol‐3‐ones with 1‐ and 2‐naphthols. By using spirocyclic chiral phosphoric acids and quinine‐incorporated squaramides as the organocatalysts, two classes of structurally distinct chiral compounds, namely 2‐(hydroxylnaphthyl)‐indolin‐3‐ones and tetrahydrofuroindoles, are formed respectively. These quaternary centre‐containing indoline derivatives may find use in the synthesis of biologically active molecules.
Facile Synthesis of Bis‐Coumarins Using [BCMIM][Cl] Zwitter Ionic Liquid and Their Binding with Bovine Serum Albumin
Authors: Deepak Pasuparthy Sai , Joseph Suman , Somkuwar Pranati , S. K. Ashok Kumar , Maiti Barnali 
Published: July 2023

AbstractHerein, we report a novel synthetic pathway for synthesizing bis‐coumarins using 5 mol% [BCMIM][Cl] ionic liquid via the facile, one‐pot, metal‐free synthesis in aqueous ethanol at room temperature. A series of 24 derivatives were furnished in up to 94% yields in 15 min to 1.5 h and were characterized using different spectroscopic techniques. The photophysical properties of bis‐coumarin derivatives were explored through UV‐Visible and fluorescence spectroscopy. The absorption and emission spectra demonstrate a peak wavelength (λmax), within the range of 297–311 nm and 486–505 nm, respectively. An analogous pattern to the experimental results is seen in density functional calculations. The binding affinities of all the synthesised derivatives with Bovine Serum Albumin (BSA) were determined using AutoDock Vina which exhibited a range from −8.4 to −11.5 kcal mol−1. The computed binding constant (KBSA) by tryptophan (Trp) emission quenching values illustrate strong binding interactions of the selected ligands in the order of 104. The calculated binding affinities were validated by performing molecular dynamics simulations of the best docking pose using GROMACS software over a period of 1 ns for studying the stability of protein‐ligand complexes.
Dynamic Control of Cyclic Peptide Assembly to Form Higher‐Order Assemblies
Authors: Wu Chongyang , Zhang Hongyue , Kong Nan , Wu Bihan , Lin Xinhui , Wang Huaimin 
Published: July 2023

AbstractChirality correction, asymmetry, ring‐chain tautomerism and hierarchical assemblies are fundamental phenomena in nature. They are geometrically related and may impact the biological roles of a protein or other supermolecules. It is challenging to study those behaviors within an artificial system due to the complexity of displaying these features. Herein, we design an alternating D,L peptide to recreate and validate the naturally occurring chirality inversion prior to cyclization in water. The resulting asymmetrical cyclic peptide containing a 4‐imidazolidinone ring provides an excellent platform to study the ring‐chain tautomerism, thermostability and dynamic assembly of the nanostructures. Different from traditional cyclic D,L peptides, the formation of 4‐imidazolidinone promotes the formation of intertwined nanostructures. Analysis of the nanostructures confirmed the left‐handedness, representing chirality induced self‐assembly. This proves that a rationally designed peptide can mimic multiple natural phenomena and could promote the development of functional biomaterials, catalysts, antibiotics, and supermolecules.
Supramolecular Polymer Ion Conductor with Weakened Li Ion Solvation Enables Room Temperature All‐Solid‐State Lithium Metal Batteries
Authors: Zhou Hang‐Yu , Ou Yu , Yan Shuai‐Shuai , Xie Jin , Zhou Pan , Wan Lei , Xu Zi‐Ang , Liu Feng‐Xiang , Zhang Wei‐Li , Xia Yin‐Chun , Liu Kai 
Published: July 2023

AbstractImproved durability, enhanced interfacial stability, and room temperature applicability are desirable properties for all‐solid‐state lithium metal batteries (ASSLMBs), yet these desired properties are rarely achieved simultaneously. Here, in this work, it is noticed that the huge resistance at Li metal/electrolyte interface dominantly impeded the normal cycling of ASSLMBs especially at around room temperature (<30 °C). Accordingly, a supramolecular polymer ion conductor (SPC) with “weak solvation” of Li+ was prepared. Benefiting from the halogen‐bonding interaction between the electron‐deficient iodine atom (on 1,4‐diiodotetrafluorobenzene) and electron‐rich oxygen atoms (on ethylene oxide), the O‐Li+ coordination was significantly weakened. Therefore, the SPC achieves rapid Li+ transport with high Li+ transference number, and importantly, derives a unique Li2O‐rich SEI with low interfacial resistance on lithium metal surface, therefore enabling stable cycling of ASSLMBs even down to 10 °C. This work is a new exploration of halogen‐bonding chemistry in solid polymer electrolyte and highlights the importance of “weak solvation” of Li+ in the solid‐state electrolyte for room temperature ASSLMBs.
Tetraazacoronenes and Their Dimers, Trimers and Tetramers
Authors: Eichelmann Robert , Ballmann Joachim , Gade Lutz H. 
Published: July 2023

AbstractTetraazacoronenes were synthesized from bay‐functionalized tetraazaperylenes by Zr‐mediated cyclization and four‐fold Suzuki–Miyaura cross coupling. In the Zr‐mediated approach, an η4‐cyclobutadiene‐zirconium(IV) complex was isolated as an intermediate to cyclobutene‐annulated derivatives. Using bis(pinacolatoboryl)vinyltrimethylsilane as a C2 building block gave the tetraazacoronene target compound along with the condensed azacoronene dimer as well as higher oligomers. The series of extended azacoronenes show highly resolved UV/Vis absorption bands with increased extinction coefficients for the extended aromatic cores and fluorescence quantum yields of up to 80 % at 659 nm.
Facile chemical modification of poly(vinyl alcohol) to an organosoluble, flame‐retardant copolymer using dichloroacetic acid
Authors: Km Shelly , Ravishankar Kartik , Raghavachari Dhamodharan 
Published: July 2023

AbstractApplications of poly(vinyl alcohol) (PVOH) are largely limited due to its poor flame resistance. In this work, organosolubility, and flame resistance are imparted to PVOH through green chemical transformation using dichloroacetic acid (DCAA). Unlike the conventional solvent‐based strategies, PVOH was modified by simply mixing it with DCAA and heating the mixture without employing any additional reagents/catalysts/solvents. This resulted in the formation of a random copolymer, poly(vinyl alcohol‐co‐vinyl dichloroacetate), which was not soluble in water but was soluble in organic solvents such as acetone, methanol, and dimethylsulfoxide. Furthermore, the copolymer was inherently self‐extinguishing, and did not melt drip or show glowing combustion. Additionally, dummy currency notes coated with this copolymer displayed exceptional self‐extinguishing and non‐glowing properties when removed from the flame, proving the copolymer's suitability for flame‐retardant sizing/coating applications.
Measuring imagery strength in schizophrenia: no evidence of enhanced mental imagery priming
Authors: Wagner Sophie , Monzel Merlin 
Published: July 2023

AbstractIntroductionRecent research shows ambivalent results regarding the relationship between mental imagery and schizophrenia. The role of voluntary visual imagery in schizophrenic hallucinations remains unclear. The aim of the study was to investigate the association between visual imagery, schizophrenia, and the occurrence of schizophrenic hallucinations using an objective visual imagery task.MethodsThe sample consisted of 16 participants with schizophrenia (59.1% female; MAge = 45.55) and 44 participants without schizophrenia (62.5% female; MAge = 43.94). Visual imagery was measured using the Vividness of Visual Imagery Questionnaire (VVIQ) as well as the well‐validated Binocular Rivalry Task (BRT). Occurrences of hallucinations were assessed using the Launay–Slade Hallucination Scale.ResultsParticipants with schizophrenia showed more hallucinatory experiences but did not score higher on either the VVIQ or the BRT than participants without schizophrenia. A correlation between the VVIQ and the BRT was found, validating the measurement of visual imagery and enabling the interpretation that visual imagery vividness is not enhanced in people with schizophrenia.ConclusionThe association between mental imagery vividness and schizophrenia found in previous studies may be based on other facets of mental imagery than visual imagery.
A nomogram model for predicting the risk of checkpoint inhibitor‐related pneumonitis for patients with advanced non‐small‐cell lung cancer
Authors: Zhang Yao , Zhang Lincheng , Cao Shuhui , Wang Yue , Ling Xuxinyi , Zhou Yan , Zhong Hua 
Published: July 2023

AbstractObjectiveImmunotherapy extensively treats advanced non‐small‐cell lung cancer (NSCLC). Although immunotherapy is generally better tolerated than chemotherapy, it can cause multiple immune‐related adverse events (irAEs) involving multiple organs. Checkpoint inhibitor‐related pneumonitis (CIP) is a relatively uncommon irAE that, in severe cases, can be fatal. Potential risk factors for the occurrence of CIP are currently poorly understood. This study sought to develop a novel scoring system for predicting the risk of CIP based on a nomogram model.MethodsWe retrospectively collected advanced NSCLC patients who received immunotherapy at our institution between January 1, 2018, and December 30, 2021. All patients who met the criteria were randomly divided into the training set and testing set (in a ratio of 7:3), and cases fulfilling the CIP diagnostic criteria were screened. The patients' baseline clinical characteristics, laboratory tests, imaging, and treatment information were extracted from the electronic medical records. The risk factors associated with the occurrence of CIP were identified based on the results of logistic regression analysis on the training set, and a nomogram prediction model was developed. The discrimination and prediction accuracy of the model was evaluated using the receiver operating characteristic (ROC) curve, the concordance index (C‐index), and the calibration curve. Decision curve analysis (DCA) was used to evaluate the clinical applicability of the model.ResultsThe training set comprised 526 (CIP: 42 cases), and the testing set comprised 226 (CIP: 18 cases) patients, respectively. In the training set, the final multivariate regression analysis revealed that age (p = 0.014; odds ratio [OR] = 1.056; 95% Confidence Interval [CI] =1.011–1.102), Eastern Cooperative Oncology Group performance status (p = 0.002; OR = 6.170; 95% CI = 1.943–19.590), history of prior radiotherapy (p < 0.001; OR = 4.005; 95% CI = 1.920–8.355), baseline white blood cell count (WBC) (p < 0.001; OR = 1.604; 95% CI = 1.250–2.059), and baseline absolute lymphocyte count (ALC) (p = 0.034; OR = 0.288; 95% CI = 0.091–0.909) were identified as independent risk factors for the occurrence of CIP. A prediction nomogram model was developed based on these five parameters. The area under the ROC curve and C‐index of the prediction model in the training set and testing set were 0.787 (95% CI: 0.716–0.857) and 0.874 (95% CI: 0.792–0.957), respectively. The calibration curves are in good agreement. The DCA curves indicate that the model has good clinical utility.ConclusionWe developed a nomogram model that proved to be a good assistant tool for predicting the risk of CIP in advanced NSCLC. This model has the potential power to help clinicians in making treatment decisions.
Booster effect of a third mRNA‐based COVID‐19 vaccine dose in patients with myeloid malignancies
Authors: Mori Akio , Onozawa Masahiro , Kobayashi Mirei , Tsukamoto Shihori , Senjo Hajime , Ishio Takashi , Yokoyama Emi , Kanaya Minoru , Izumiyama Koh , Saito Makoto , Muraki Haruna , Morioka Masanobu , Teshima Takanori , Kondo Takeshi 
Published: July 2023

AbstractBackgroundWe have reported that seroconversion rates after the second dose of mRNA‐based COVID‐19 vaccines for myelodysplastic syndrome (MDS) and acute myeloid leukemia (AML) were 100% and 95% respectively, with no significant difference from healthy controls (HCs).However, there are very limited data for the response to a third vaccine dose in those patients.AimsIn this complementary study, we investigated the booster effect of a third mRNA‐based COVID‐19 vaccine dose in patients with myeloid malignancies.Materials & MethodsA total 58 patients including 20 patients with MDS and 38 patients with AML were enrolled. Anti‐SARS‐CoV‐2S immunoassays were performed at 3, 6, and 9 months after the second vaccine dose.ResultsSeventy‐five percent of the MDS patients and 37% of the AML patients were receiving active treatment at the time of the third vaccination. Both the initial and third vaccine response in AML patients were comparable to those in HCs. In MDS patients, although the initial vaccine immunogenicity was inferior to that in HCs and AML patients, the third vaccine improved the response to a level not inferior to those in HCs and AML patients. Of note, the third vaccine resulted in a significant increase of antibodies in actively treated MDS patients who had shown a response inferior to that in untreated patients after two doses of vaccination.DiscussionIn patients with myeloid malignancies, the third vaccine dose showed a booster effect, and disease‐ and therapy‐related factors associated with the booster response have been identified.ConclusionThe third dose of an mRNA‐based COVID‐19 vaccine showed a booster effect in patients with myeloid malignancies. Such a good booster response has not been reported in other haematological malignancies.
Innovative Approaches to Enhanced Enzymatic Microalgae‐to Biodiesel Production
Authors: Sowan Eyad , Mozumder Mohammad Sayem , Taher Hanifa , Al‐Zuhair Sulaiman 
Published: July 2023

AbstractDespite the increasing interest in biodiesel production from microalgae, the high cost of multistage production processes still hinders its commercialization. The high oil productivity of microalgae and their ability to grow rapidly under harsh conditions and in saline water make them a favorable feedstock for biodiesel production. In this review, conventional methods of producing biodiesel from microalgae are thoroughly discussed and compared to state‐of‐the‐art technologies. Considerable emphasis has been put on the adoption of biocatalysts as alternative greener and more effective catalysts. Challenges facing the biocatalytic process and innovative ways to overcome them are also presented. The main focus is on the in‐situ biodiesel production processes, which are promising to pave the way for industrial application of microalgae‐to‐biodiesel process. The use of state‐of the‐art thermoresponsive switchable solvents, coupled with immobilized lipase, for simultaneous cell disruption, oil extraction‐reaction, and product separation in one pot has shown to be highly favorable. Because enzymes are expensive, finding ways to enhance their stability and reusability for a greater number of cycles is essential for the process to be economically viable and competitive.