bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crystallization Kinetics of Hybrid Perovskite Solar Cells
Authors: Wu Zhiwei , Sang Shuyang , Zheng Junjian , Gao Qin , Huang Bin , Li Feng , Sun Kuan , Chen Shanshan 
Published: January 2024

AbstractMetal halide perovskites (MHPs) are considered ideal photovoltaic materials due to their variable crystal material composition and excellent photoelectric properties. However, this variability in composition leads to complex crystallization processes in the manufacturing of Metal halide perovskite (MHP) thin films, resulting in reduced crystallinity and subsequent performance loss in the final device. Thus, understanding and controlling the crystallization dynamics of perovskite materials are essential for improving the stability and performance of PSCs (Perovskite Solar Cells). To investigate the impact of crystallization characteristics on the properties of MHP films and identify corresponding modulation strategies, we primarily discuss the relevant aspects of MHP crystallization kinetics, systematically summarize theoretical methods, and outline modulation techniques for MHP crystallization, including solution engineering, additive engineering, and component engineering, which helps highlight the prospects and current challenges in perovskite crystallization kinetics
Unraveling the “Gap‐Filling” Mechanism of Multiple Charge Carriers in Aqueous Zn‐MoS2 Batteries
Authors: Li Shengwei , Zhao Xudong , Wang Tianhao , Wu Jiae , Xu Xinghe , Li Ping , Ji Xiaobo , Hou Hongshuai , Qu Xuanhui , Jiao Lifang , Liu Yongchang 
Published: January 2024

AbstractThe utilization rate of active sites in cathode materials for Zn‐based batteries is a key factor determining the reversible capacities. However, a long‐neglected issue of the strong electrostatic repulsions among divalent Zn2+ in hosts inevitably causes the squander of some active sites (i.e., gap sites). Herein, we address this conundrum by unraveling the “gap‐filling” mechanism of multiple charge carriers in aqueous Zn‐MoS2 batteries. The tailored MoS2/(reduced graphene quantum dots) hybrid features an ultra‐large interlayer spacing (2.34 nm), superior electrical conductivity/hydrophilicity, and robust layered structure, demonstrating highly reversible NH4+/Zn2+/H+ co‐insertion/extraction chemistry in the 1 M ZnSO4+0.5 M (NH4)2SO4 aqueous electrolyte. The NH4+ and H+ ions can act as gap fillers to fully utilize the active sites and screen electrostatic interactions to accelerate the Zn2+ diffusion. Thus, unprecedentedly high rate capability (439.5 and 104.3 mAh g−1 at 0.1 and 30 A g−1, respectively) and ultra‐long cycling life (8000 cycles) are achieved.
Information shaping
Authors: Ruthven Ian 
Published: January 2024

AbstractIn this article, I explore the relationships between how humans have evolved to interact with the material world and how we interact with our information worlds. I argue that shaping processes, exemplified by how early humans created stone tools, are core ways to interact with the world that are appropriated to interact with information to create information solutions. To test these claims, I examine existing studies of information use from a shaping perspective. I finish by discussing how this evolutionary perspective to information use can benefit discussions of information behavior.
Clinical profiling of pediatric microtia patients: A cross‐sectional analysis at a leading pediatric hospital in Ecuador (2015–2022)
Authors: Noroña Diego Mena , Chamba Walter Díaz , Santamaria Susana Rodríguez , Sosa María Cela , Carrera Lizeth Logacho , Rodríguez Fabian Arias , Martinez Madelaine Alvarez , Izquierdo‐Condoy Juan S. 
Published: January 2024

AbstractBackgroundMicrotia is a frequent congenital deformity of the pinna, often with hearing loss. This study reviews the clinical profiles of microtia pediatric patients treated at a referral hospital in Quito, Ecuador, from 2015 to 2022.MethodsA cross‐sectional descriptive study was carried out based on the analysis of medical records of pediatric patients with microtia treated between January 2015 and December 2022 at the Hospital Pediátrico Baca Ortiz in Quito, Ecuador. Descriptive statistics were used, and the Chi‐square test assessed associations between categorical variables.ResultsOf the 235 patients evaluated, 59.6% were male, 83.4% lived at high altitudes (2500–3500 m), and 19.1% had a family history of microtia. Grade III microtia was diagnosed in 63.8%, predominantly on the right side. Nearly all (99.1%) had hearing loss. Other anatomical alterations were observed in 27.7%, primarily the preauricular appendage. Bone vibrator implantation was a common treatment for 24.3%. Altitude did not show a significant correlation with microtia characteristics.ConclusionsMost patients had grade III microtia with associated hearing loss. Despite the high prevalence at elevated altitudes, no significant altitude‐disease correlation was found. The study highlights the need for further research on microtia in regions like Ecuador.
A novel potassium‐containing layered oxide for the cathode of sodium‐ion batteries
Authors: Aranda Manuel , Lavela Pedro , Tirado José L. 
Published: January 2024

AbstractLayered oxides are successful cathode materials for sodium‐ion batteries. Many of these oxides show interesting kinetic behavior but have poor structural stability. To overcome this limitation, an alternative material containing potassium in the interlayer space in trigonal prismatic coordination is studied here. The transition‐metal layers are formed by sustainable transition elements such as iron and manganese. The solid was prepared using a sol–gel procedure that led to a product with relatively high purity, with a Pʹ3‐type structure indexable in the C2/m space group of the monoclinic system. Its electrochemical behavior was studied in sodium metal half‐cells. When the cell is charged up to 4.3 V, it is observed that the potassium extraction is not complete. The subsequent discharge of the cell is associated with the intercalation of sodium from the electrolyte. Thus, it is possible to incorporate a greater number of alkaline ions than those extracted in the previous charge. The residual potassium in the structure was found to be favorable to maintaining the structural integrity of the compound upon cycling. This can be explained by the beneficial effect of potassium, which would act as a structural “pillar” in the interlayer, which would reduce structural degradation during cycling.
PriorClinico‐RadiologicalFeatures InformedMulti‐Modal MRImages Convolution Neural Network: A novel deep learning framework for prediction of lymphovascular invasion in breast cancer
Authors: Zheng Hong , Jian Lian , Li Li , Liu Wen , Chen Wei 
Published: January 2024

AbstractBackgroundCurrent methods utilizing preoperative magnetic resonance imaging (MRI)‐based radiomics for assessing lymphovascular invasion (LVI) in patients with early‐stage breast cancer lack precision, limiting the options for surgical planning.PurposeThis study aimed to develop a sophisticated deep learning framework called “Prior Clinico‐Radiological Features Informed Multi‐Modal MR Images Convolutional Neural Network (PCMM‐Net)” to improve the accuracy of LVI prediction in breast cancer. By incorporating multiparameter MRI and prior clinical knowledge, PCMM‐Net should enhance the precision of LVI assessment.MethodsA total of 341 patients with breast cancer were randomly divided into training and validation groups at a ratio of 7:3. Imaging features were extracted from T1‐weighted, T2‐weighted, and contrast‐enhanced T1‐weighted MRI sequences. Stepwise univariate and multivariate logistic regression were employed to establish a clinico‐radiological model for LVI prediction. The radiomics model was built using redundancy and the least absolute shrinkage and selection operator. Then, two deep learning frameworks were developed: the Multi‐Modal MR Images Convolutional Neural Network (MM‐Net), which does not consider prior radiological features, and PCMM‐Net, which incorporates multiparameter MRI and prior clinical knowledge. Receiver operating characteristic curves were used, and the corresponding areas under the curves (AUCs) were calculated for evaluation.ResultsPCMM‐Net achieved the highest AUC of 0.843. The clinico‐radiological features displayed the lowest AUC value of 0.743, followed by MM‐Net with an AUC of 0.774, and radiomics with an AUC of 0.795.ConclusionsThis study introduces PCMM‐Net, an innovative deep learning framework that integrates prior clinico‐radiological features for accurate LVI prediction in breast cancer. PCMM‐Net demonstrates excellent diagnostic performance and facilitates the application of precision medicine.
Ecofriendly synthesis of selenium nanoparticles using agricultural Citrus fortunella waste and decolourization of crystal violet from aqueous solution
Authors: Solmaz Alper , Turna Talip , Baran Ayşe 
Published: January 2024

AbstractIn this study, the reuse of Citrus fortunella (CF) plant waste, an agricultural product, was evaluated within the scope of sustainability. In this context, selenium nanoparticles (CF‐Se NPs) were synthesized from CF waste extracts and crystal violet (CV) dye was removed. The characteristic structure of the synthesized CF‐Se NPs was determined by X‐ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X‐ray (EDX), Fourier transform infrared spectroscopy (FTIR), UV–vis spectroscopy, and point of zero charge (pHpzc). Batch adsorption tests were applied to determine the effect of the synthesized CF‐Se NPs on CV removal. Four different kinetic and isotherm models were examined using error analysis functions. While the particle size of CF‐Se NPs was determined as 27.58 nm, the pHpzc value was calculated as 9.40, the average surface charge distribution was −24.1 mV, and mass losses were 9.03% and 13.42% at 334.99 and 739.21°C, respectively. The most suitable kinetic and isotherm model for CV removal with CF‐Se NPs was determined to be pseudo‐second‐order with a R2‐value of 0.999 and Freundlich with R2‐value of 0.993, and the qmax was calculated as 23.55 mgCV/gCF‐SeNPs. The effectiveness of CF‐Se NPs synthesized from waste in CV removal is a remarkable issue in terms of sustainable production.
Towards Multitargeted Ligands as Pain Therapeutics: Dual Ligands of the Cavα2δ‐1 Subunit of Voltage‐Gated Calcium Channel and the μ‐Opioid Receptor
Authors: Wegert Anita , Monnee Menno , de Graaf Wouter , van Holst Frank , Bolcato Giovanni , Díaz José Luis , Dordal Albert , Portillo‐Salido Enrique , Reinoso Raquel F. , Yeste Sandra , Torrens Antoni , Almansa Carmen 
Published: January 2024

AbstractThe synthesis and pharmacological activity of a new series of dual ligands combining activities towards the α2δ‐1 subunit of voltage‐gated calcium channels (Cavα2δ‐1) and the μ‐opioid receptor (MOR) as novel pain therapeutics are reported. A careful exploration of the pharmacophores related to both targets, which in principle had few common characteristics, led to the design of novel compounds exhibiting both activities. The construction of the dual ligands started from published Cavα2δ‐1 ligands, onto which MOR ligand pharmacophoric elements were added. This exercise led to new amino‐acidic substances with good affinities on both targets as well as good metabolic and physicochemical profiles and low potential for drug‐drug interactions. A representative compound, (2S,4S)‐4‐(4‐chloro‐3‐(((cis)‐4‐(dimethylamino)‐4‐phenylcyclohexyl)methyl)‐5‐fluorophenoxy)pyrrolidine‐2‐carboxylic acid, displayed promising analgesic activities in several in vivo pain models as well as a reduced side‐effect profile in relation to morphine.
Cedirogant Population Pharmacokinetics and Pharmacodynamic Analyses of Interleukin‐17A Inhibition in Two Phase 1 Studies in Healthy Participants and Participants with Moderate to Severe Psoriasis
Authors: Maier Corinna S. , Eckert Doerthe , Laroux F. Stephen , Hew Kinjal M. , Suleiman Ahmed A. , Liu Wei , Mohamed Mohamed‐Eslam F. 
Published: January 2024

AbstractCedirogant (ABBV‐157) is an orally bioavailable inverse agonist of retinoic acid‐related orphan receptor gamma thymus. Data from 2 Phase 1 studies were used to characterize cedirogant pharmacokinetics and evaluate target engagement. Cedirogant plasma concentrations and ex vivo interleukin 17A (IL‐17A) concentrations from healthy participants and participants with moderate to severe psoriasis (PsO) were analyzed in a population pharmacokinetic and pharmacodynamic modeling framework to characterize cedirogant pharmacokinetics following single and multiple doses and assess ex vivo IL‐17A inhibition in relation to cedirogant exposure. Cedirogant population pharmacokinetics were best described by a 2‐compartment pharmacokinetic model with delayed absorption and an enzyme turnover compartment to describe cytochrome P450 3A autoinduction. The pharmacokinetics of cedirogant were comparable between healthy participants and participants with PsO. Cedirogant steady‐state average and maximum plasma concentrations were predicted to be 7.56 and 11.8 mg/L, respectively, for participants with PsO for the 375 mg once‐daily regimen on Day 14. The apparent clearance and apparent volume of distribution for cedirogant were estimated to be 24.5 L/day and 28.2 L, respectively. A direct maximum inhibition model adequately characterized the exposure‐response relationship of cedirogant and ex vivo IL‐17A inhibition, indicating no temporal delay between exposure and response with a saturable inhibition of IL‐17A. Model‐estimated half‐maximal inhibitory concentration and maximum inhibition values for cedirogant inhibition of ex vivo IL‐17A were 0.56 mg/L and 0.76, respectively. The established relationship between cedirogant exposure and biomarker effect supported dose selection for the Phase 2 dose‐ranging study in patients with PsO.
Environmental Enrichment Cage for Laboratory Mice: A Downloadable Alternative
Authors: Smith Kevin B. , Murack Michael , Sharani Sara Al , Ismail Nafissa 
Published: January 2024

AbstractEnvironmentally enriched housing (EE) provides a stimulating and species‐typical environment that enhances brain plasticity and cognition, while reducing disease severity in laboratory animals. However, standardizing EE protocols has been challenging due to issues such as variability, high pricing, or limited laboratory space. To address these challenges, we present a replicable and cost‐efficient cage protocol that is accessible to researchers with limited resources and space constraints. The protocol is designed to provide a stimulating and species‐typical environment for the animals. It incorporates elements such as social interaction, physical exercise, cognitive stimulation, manipulable objects, environmental variability, and sensory stimulation. As evidenced in our previous studies using our protocol, users can expect to observe similar neuroplastic and health‐wise benefits that accompany EE experimental paradigms. These included straightforward step‐by‐step guide, which allows for construction of functional EE cages in under 8 hr. Basic knowledge of 3D printing and laser cutting is required, but no advanced skills are necessary. The protocol enables researchers to create stimulating and replicable environments that promote animal welfare, enhance brain plasticity, and yield valuable experimental results for low cost. © 2024 Wiley Periodicals LLC.Basic Protocol: An effective and cost‐efficient environmental enrichment cage designed to encourage standardization amongst laboratory protocols.
Synthesis of Nucleotides Bearing the 2′‐O‐Trifluoromethyl Group and Their Application in RNA Analogs Preparation
Authors: Chen Xuan , Xie Long , Zhang Chenglong , Tian Shen , Tang Zeyu , Xiang Ming , Tian Weiwei , Lu Patrick , Yang Xianbin 
Published: January 2024

AbstractThe integration of fluorine atoms into biologically active organic compounds has proved to be a vital technique in small molecule drugs. This technique can substantially enhance crucial properties, including metabolic stability, lipophilicity, and bioavailability, often with a mere addition of a single fluorine atom or a trifluoromethyl group. Over the past few decades, this concept has also been applied in nucleic acid chemistry. A commonly employed 2′‐OH substitution is the introduction of a 2′‐deoxy‐2′‐fluoro (2′‐F) group. The strong electronegativity of fluorine prompts the modified siRNA to readily adopt a C3′‐endo conformation, resulting in significant advantages in terms of binding affinity. To enrich the toolbox of chemical modification of oligonucleotides, the replacement of the 2′‐OH with the 2′‐O‐trifluoromethyl group has been developed in RNA analog synthesis. Oligodeoxynucleotides containing the 2′‐O‐trifluoromethyl group can greatly increase the thermal stability of DNA/RNA duplexes depending on the position and amount of the modification. Moreover, 2′‐O‐trifluoromethylated oligodeoxynucleotide also exhibited a slightly higher resistance to snake venom phosphodiesterase than the unmodified oligodeoxynucleotide. The 2′‐O‐trifluoromethylated oligonucleotides can emerge as a label to study RNA structure and function as well, or to develop DNA/RNA‐based diagnostics. Hence, it is necessary to report an effective method for the synthesis, deprotection, purification, and characterization of oligonucleotides bearing a 2′‐O‐trifluoromethyl group. © 2024 Wiley Periodicals LLC.Basic Protocol 1: Preparation of 6‐N‐benzoyl‐5′‐O‐dimethoxytrityl‐2′‐O‐trifluoromethyl adenosine 3′‐(2‐cyanoethyl N,N‐diisopropyl)phosphoramiditeBasic Protocol 2: Preparation of 4‐N‐acetyl‐5′‐O‐dimethoxytrityl‐2′‐O‐trifluoromethyl cytidine 3′‐(2‐cyanoethyl N,N‐diisopropyl)phosphoramiditeBasic Protocol 3: Preparation of 2‐N‐isobutyryl‐5′‐O‐dimethoxytrityl‐2′‐O‐trifluoromethyl guanine 3′‐(2‐cyanoethyl N,N‐diisopropyl)phosphoramiditeBasic Protocol 4: Preparation of 5′‐O‐dimethoxytrityl‐2′‐O‐2‐trifluoromethyl uridine 3′‐(2‐cyanoethyl N,N‐diisopropyl) phosphoramiditeBasic Protocol 5: Solid‐phase synthesis of 2′‐O‐trifluoromethylated RNA analogsBasic Protocol 6: Deprotection and purification of 2′‐O‐trifluoromethyl‐RNAs
The cross‐cutting pursuit of family values: When and how do family firms engage in corporate environmental responsibility
Authors: Kim Sang‐Joon , Bae Jongwan , Kang SoHyeon 
Published: January 2024

AbstractThis study examines how family values in a firm can impact non‐market strategies. Given that family members on the board tend to pursue non‐economic, especially family related, values, we attempt to specify how the perspectives, values, and tastes of family members serving on the board can be infused into the firm's environmental performance. Since actions addressing environmental issues are less directly related to family values than other types of CSR actions, such as donations and services to the local community, the family‐value‐infused characteristics of boards that represent family firms' pursuit of socio‐emotional wealth, can make firms less committed to environmental issues. Using our comprehensive sample of large U.S. firms consisting of 15,086 firm‐year observations between 1998 and 2016, we find that when family values are treated as a critical factor for non‐market strategies, family dominated firms are less likely to pursue corporate environmental responsibility. We also find that both external and internal factors can positively moderate the family firm's environmental underperformance by diluting the family values.
Drug upgrade: A complete methodology from old drug to new chemical entities using Nematic Protein Organization Technique
Authors: Eschbach Judith , Wagner Alain , Beahr Corinne , Bekel Akkiz , Korganow Anne‐Sophie , Quartier Angelique , Peter Jean‐Christophe , Eftekhari Pierre 
Published: January 2024

AbstractDrug repurposing is used to propose new therapeutic perspectives. Here, we introduce “Drug Upgrade”, that is, characterizing the mode of action of an old drug to generate new chemical entities and new therapeutics. We proposed a novel methodology covering target identification to pharmacology validation. As an old drug, we chose hydroxychloroquine (HCQ) for its well‐documented clinical efficacy in lupus and its side effect, retinal toxicity. Using the Nematic Protein Organization Technique (NPOT®) followed by liquid chromatography‐tandem mass spectrometry analyses, we identified myeloperoxidase (MPO) and alpha‐crystallin β chain (CRYAB) as primary and secondary targets to HCQ from lupus patients' peripheral blood mononuclear cells (PBMCs) and isolated human retinas. Surface plasmon resonance (SPR) and enzymatic assays confirmed the interaction of HCQ with MPO and CRYAB. We synthesized INS‐072 a novel analog of HCQ that increased affinity for MPO and decreased binding to CRYAB compared to HCQ. INS‐072 delayed cutaneous eruption significantly compared to HCQ in the murine MRL/lpr model of spontaneous lupus and prevents immune complex vasculitis in mice. In addition, long‐term HCQ treatment caused retinal toxicity in mice, unlike INS‐072. Our study illustrates a method of drug development, where new applications or improvements can be explored by fully characterizing the drug's mode of action.
Impact of mental disorders on unplanned readmissions for congestive heart failure patients: a population‐level study
Authors: Sa Zhisheng , Badgery‐Parker Tim , Long Janet C. , Braithwaite Jeffrey , Brown Martin , Levesque Jean‐Frederic , Watson Diane E. , Westbrook Johanna I. , Mitchell Rebecca 
Published: January 2024

AbstractAimsReducing preventable hospitalization for congestive heart failure (CHF) patients is a challenge for health systems worldwide. CHF patients who also have a recent or ongoing mental disorder may have worse health outcomes compared with CHF patients with no mental disorders. This study examined the impact of mental disorders on 28 day unplanned readmissions of CHF patients.Methods and resultsThis retrospective cohort study used population‐level linked public and private hospitalization and death data of adults aged ≥18 years who had a CHF admission in New South Wales, Australia, between 1 January 2014 and 31 December 2020. Individuals' mental disorder diagnosis and Charlson comorbidity and hospital frailty index scores were derived from admission records. Competing risk and cause‐specific risk analyses were conducted to examine the impact of having a mental disorder diagnosis on all‐cause hospital readmission. Of the 65 861 adults with index CHF admission discharged alive (mean age: 78.6 ± 12.1; 48% female), 19.2% (12 675) had at least one unplanned readmission within 28 days following discharge. Adults with CHF with a mental disorder diagnosis within 12 months had a higher risk of 28 day all‐cause unplanned readmission [hazard ratio (HR): 1.21, 95% confidence interval (CI): 1.15–1.27, P‐value < 0.001], particularly those with anxiety disorder (HR: 1.49, 95% CI: 1.35–1.65, P‐value < 0.001). CHF patients aged ≥85 years (HR: 1.19, 95% CI: 1.11–1.28), having ≥3 other comorbidities (HR: 1.35, 95% CI: 1.25–1.46), and having an intermediate (HR: 1.34, 95% CI: 1.28–1.40) or high (HR: 1.37, 95% CI: 1.27–1.47) frailty score on admission had a higher risk of unplanned readmission. CHF patients with a mental disorder who have ≥3 other comorbidities and an intermediate frailty score had the highest probability of unplanned readmission (29.84%, 95% CI: 24.68–35.73%) after considering other patient‐level factors and competing events.ConclusionsCHF patients who had a mental disorder diagnosis in the past 12 months are more likely to be readmitted compared with those without a mental disorder diagnosis. CHF patients with frailty and a mental disorder have the highest probability of readmission. Addressing mental health care services in CHF patient's discharge plan could potentially assist reduce unplanned readmissions.