bluuebunny/crossref_metadata_2025_split huggingface dataset:
First Vesicular Self‐Assembly of an Apocarotenoid Bixin in Aqueous Liquids and Its Antibacterial Activity
Authors: Patra Soumen , Kar Sukhendu , Gopal Bag Braja 
Published: September 2024

AbstractBixin 1 is the major constituent of the reddish carotenoids present in the seed‐coat of Bixa orellana. The use of the extract of the seed‐coat of Bixa orellana in food, cosmetics and garments is well known. The nano‐sized long 24 C chain molecule has nine conjugated double bonds having extended conjugation with the ‘‐COOH’ and ‘‐COOMe’ groups present at the two ends of the molecule. Herein, we report the first self‐assembly of bixin in several aqueous liquids. The molecule undergoes spontaneous self‐assembly in several liquids yielding vesicular self‐assembly. Characterizations of the self‐assemblies of bixin were carried out by various microscopic techniques, X‐ray diffraction and FTIR studies. The critical vesicular concentrations (CVCs) of the compound carried out in DMSO‐water in three different solvent ratios as 2: 1 (v/v), 1: 1 (v/v) and 1: 4 (v/v) were determined to be 100 μM, 90 μM and 60 μM respectively indicating lower CVC values at higher proportion of water. Utilization of the vesicular self‐assemblies of bixin have been demonstrated in the entrapment and release of fluorophores including the anticancer drugs doxorubicin and curcumin. Self‐assembled bixin and curcumin loaded self‐assembled bixin showed significant antibacterial activity with both Gram positive as well as Gram negative bacteria.
Transformative Hydrochloric Acid Treatment of Red Mud for Sustainable Cathode Material Production in Aqueous Zinc Ion Batteries
Authors: Faheem Muhammad , Hussain Arshad , Ahmed Johan Bashir , Saeed Alzahrani Atif , Abdul Aziz Md. 
Published: September 2024

AbstractThe aluminum industry generates a significant amount of red mud as solid waste. This waste is high in mineral content, particularly metal oxides, and difficult to treat, manage, and recycle, resulting in malignant environmental effects. A simple, scalable, and precisely controlled hydrochloric acid treatment transforms the red mud into a useful product by selectively removing electrochemically inactive phases. This process produces a highly porous material with a significantly increased surface area, which effectively serves as the cathode material in an aqueous zinc ion battery (AZIB). RM‐HCl, which was treated with acid, had better electrochemical performance than plain red mud (RM). It had an initial specific discharge capacity of 105 mAh g−1 at 0.2 to 1.8 voltage and a current density of 100 mA g−1, which stayed at 63 % after 250 cycles. It also showed long‐term cyclic stability at high currents of 500 mAg−1 and 1000 mAg−1 for 1000 cycles. The properties of a cathode material made from RM have the potential to be a cost‐effective and environmentally friendly option. This study proposes a practical, sustainable, and expandable technique for recycling RM that promotes eco‐friendly and sustainable growth in the aluminum industry.
An Adaptive Combined Method for Lithium‐Ion Battery State of Charge Estimation Using Long Short‐Term Memory Network and Unscented Kalman Filter Considering Battery Aging
Authors: Lyu Longchen , Jiang Bo , Zhu Jiangong , Wei Xuezhe , Dai Haifeng 
Published: September 2024

AbstractThe accurate estimation of battery state of charge (SOC) enables the reliable and safe operation of lithium‐ion batteries. Data‐driven SOC estimation is considered an emerging and effective solution. However, existing data‐driven SOC estimation methods typically involve direct estimation and lack effective feedback correction. Moreover, battery degradation poses additional challenges to accurate SOC estimation. Therefore, this study proposes an adaptive combined method for battery SOC estimation based on a long short‐term memory (LSTM) network and unscented Kalman filter (UKF) algorithm considering battery aging status. First, an LSTM model is constructed to characterize the battery's dynamic performance instead of traditional battery models. Then, the UKF algorithm is employed to perform SOC estimation through the feedback of terminal voltage prediction. To enhance estimation accuracy under different aging statuses, a proportional‐integral‐derivative controller is employed to correct the capacity fading during the SOC estimation process. Validation results indicate that the terminal voltage prediction model demonstrates exceptional robustness against interference from current and voltage noise. Compared to the traditional estimation method combining the deep learning model and Kalman filter algorithm, the proposed method demonstrates superior estimation accuracy under various complex operating conditions. Furthermore, the proposed method outperforms the traditional method in estimation performance during battery aging.
The causal association between epilepsy and amyotrophic lateral sclerosis: A two‐sample Mendelian randomization study
Authors: Cui Yayong , Chen Junyu , Li Hong , Zheng Dong , Shi Xiaolei 
Published: September 2024

AbstractObjectivesEpilepsy and amyotrophic lateral sclerosis (ALS) are common neurological disorders. The association between the two disorders has been raised in observational studies. However, it is uncertain to what extent they have mutual causal effects. In this study, we aimed to investigate their causal association using a two‐sample Mendelian randomization (MR) method.MethodsWe performed a two‐sample bidirectional MR analysis to evaluate the causal association of epilepsy with the risk of ALS. Publicly published genome‐wide association study statistics for epilepsy and ALS were used in the study. The primary analysis included genetic variants with a p value of less than 1 × 10–5 as instrumental variables. We applied several alternative methods, including inverse variance weighting, weighted median, simple mode, weighted mode, MR‐Egger regression and MR pleiotropy residual sum and outlier, and statistical graphs to assess the associations of epilepsy and its subtype with the risk of ALS. Reverse MR analyses were also performed to examine the association of ALS with the risk of epilepsy.ResultsThe primary MR analysis found no causal effect of epilepsy on risk of ALS (odds ration [OR]: 1.133, 95% confidence interval [CI]: 0.964–1.332, p = .130). Among subtypes of epilepsy, it also failed to observe any causal association between general epilepsy and ALS (OR: 1.036, 95% CI: 0.969–1.108, P = .300). However, focal epilepsy contributed to an increase in the risk of ALS (OR: 1.177, 95% CI: 1.027–1.348, p = .019). Moreover, the investigation of reverse causalities did not reveal significant results.ConclusionsThe current study supports a causal influence of focal epilepsy on ALS risk. Future studies are needed to explore its potential role in ALS.
The new wave: Integrating artificial intelligence into ethical and multicultural counselling
Authors: Urom Chidozie , Grey Brittn , Lindinger‐Sternart Sylvia , Lucey Samantha 
Published: September 2024

AbstractBackgroundThe disruptive forces of the COVID‐19 pandemic offer an example of how cutting‐edge innovations such as telehealth became established in society. Simultaneous to the rise of telehealth, artificial intelligence (AI) has advanced rapidly and with the potential to further disrupt services across the spectrum of technology and healthcare delivery. Deemed as the next frontier in the mental health field, AI technology has introduced cutting‐edge innovations within human‐centred fields across disciplines (Espejo [Academic Psychiatry, 47, 437 and 2023]). This paper calls into question the transformative potential of AI in a field, such as psychotherapy and professional counselling, which is significantly based on human relations. As professional counsellors, it is imperative that AI does not dehumanise effective services based on empathy and positive regard.ObjectivesThis article reviews the current landscape of AI and counselling research and offers two main messages: (1) what new or revised ethical standards are needed for clinical practice to prevent negative consequences of improper use when integrating AI and (2) the practical implications for effective multicultural counselling when integrating AI into psychotherapy and counselling services.
Based on Serum Pharmacochemistry and Metabolomics Studied the Pharmacodynamic Material Basis and Mechanism of Rubi Fructus (Fupenzi) in Improving the Symptom of Kidney‐Yang Deficiency
Authors: Chen Limei , Guo Xin , Wang Hui , Fang Yuan , Wei Wenping , Shan Si , Zang Zhenzhong , Liu Hongning , Guan Yongmei , Li Hui 
Published: September 2024

AbstractRubi fructus (Fupenzi) is the immature fruit of East China Rubi fructus, which is widely used in medicine, food, health food and other fields. Since ancient times, Fupenzi has been considered to be an important medicine for tonifying the kidney in terms of nourishing the liver and kidney, fixing essence and reducing urine, but its effective components and mechanism are not clear. In this paper, the effective components of Rubi fructus were analyzed by detecting the components of Fupenzi in vivo and in vitro. Adenine was used to replicate the model of kidney yang deficiency, and organ index, biochemical index and histopathology were used to evaluate the effect of different doses of Fupenzi on tonifying kidney yang. Metabonomics technique was used to analyze the metabolic regulation mechanism of Fupenzi in improving kidney yang deficiency syndrome. The results showed that 61 chemical constituents of Fupenzi were identified in vitro, including 18 flavonoids, 19 organic acids, 5 coumarins, 8 terpenoids, 7 amino acids and 4 other components. A total of 51 chemical components were identified, including 30 prototype components and 21 metabolic components, which may be the effective components of Fupenzi. The results of pharmacodynamics showed that compared with the model group, the renal index, testicular index and epididymal index of rats in each Fupenzi group were significantly improved (p<0.01), cAMP significantly increased (p<0.05), cGMP decreased (p<0.05) and cAMP/cGMP ratio increased significantly (p<0.05). The content of ACTH in low dose group increased significantly (p<0.05), while the content of ACTH in middle and high dose groups increased, but there was no significant difference. The results of HE staining showed that compared with the model group, the kidney, testis and epididymis of rats in each treatment group were significantly improved. In general, these changes may be mainly through primary bile acid biosynthesis, linoleic acid metabolism, steroid hormone biosynthesis, β‐alanine metabolism, glutathione metabolism, porphyrin and chlorophyll metabolism, unsaturated fatty acid biosynthesis, arachidonic acid metabolism, arginine and proline metabolism and other metabolic pathways to improve adenine‐induced metabolic disorders in rats with kidney‐yang deficiency syndrome.
Bio‐MOFs Based on Natural Phenolic, Hematoxylin Leverages Biomedical Applications: Enzyme Inhibition, Antioxidant, and Antibacterial Properties
Authors: Sahiner Mehtap , Tian Zhi , Demirci Sahin , Sunol Aydin , Allen‐Gipson Diane S. , Sahiner Nurettin 
Published: September 2024

AbstractHere, using natural hematoxylin (HT) as linker, metal‐organic frameworks (MOFs) from Cu(II), Fe(II), and Fe(III) ions was prepared. The SEM images and DLS analyses revealed HT‐based MOFs are <micrometer sizes with the highest surface area value of 49.2 m2/g for HT−Fe(III) MOFs. Interestingly, HT‐based MOFs exhibit fluorescent properties at λem=330 nm with fluorescence intensities of 11485, 2120, and 6790 (a.u) for HT−Cu(II), Fe(II), and Fe(III) MOFs, respectively. Moreover, HT‐based MOFs inhibited α‐glucosidase enyzme in a concentration‐dependent manner e. g., 33.1 %, 69.8 %, and 59.7 % of Cenzyme=500 mg/mL was inhibited by HT−Cu(II)‐MOF, HT−Fe(II)‐MOF, and HT−Fe(III)‐MOFs, respectively. The minimum bactericidal concentration (MBC) values of HT−Cu(II) MOFs for Escherichia coli (gram −), Staphylococcus aureus (gram +), and Candida albicans are determined as 5, 5, and 10 mg/mL, respectively. Also, the antioxidant activities of 250 ppm HT‐based MOF based on total phenol content (TPC) tests revealed 279, 208, 124, and 152 mg.gallic acid equivalent/mL (mg GA equivalency/mL) for HT, HT−Cu(II) MOF, HT−Fe(II) MOF, and HT−Fe(III), respectively affirming that antioxidant properties were retained. Moreover, HT−Fe(II) and HT−Fe(III) MOFs (62.5 μg/mL) against human null‐1 lung cell line revealed cell viabilities of 98.7±12.2 % and 88.9±11.7 %, respectively as concentration‐dependent biocompatibility of MOFs.
Structure and Conductivity of Crosslinked Ca‐POE Polymer Electrolytes for Secondary Batteries
Authors: Brombin Federico , Pagot Gioele , Vezzù Keti , Roman Raul San , Martinez Cisneros Cynthia Susana , Ureña Nieves , Varez Alejandro , Sanchez Jean‐Yves , Di Noto Vito 
Published: September 2024

AbstractPoly(oxyethylene) (POE) is frequently used as suitable component to prepare solid polymer electrolytes (SPEs), due to its: (i) ability to coordinate and dissociate doping salts; (ii) good mechanical properties; and (iii) high chemical and electrochemical stability. With the aim to obtain calcium secondary batteries, here we describe the preparation and studies of crosslinked Ca‐polycondensate (NPCY) electrolytes with formula NPCY/(CaTf2)x based on fragments of POE chains and CaTf2. The molecular weight of POE precursors is Y=400 and 1000 g ⋅ mol−1. The effect of POE molecular weight on the thermal, structural, and electrical properties of NPCY/(CaTf2)x is investigated revealing that in mesoscale this materials show: (i) two different nanodomains with polyether chains both “free” (not coordinating the cation) and involved in 4–4 coordination cages of Ca2+ metal ions; (ii) fα‐fast, fα‐cross and fα‐slow relaxation modes of polyether chains, detected by broadband electrical spectroscopy, which are coupled with the long‐range charge migration pathways of SPEs; (iii) that triflate (Tf−) anions, which act as plasticizers, modulate the inter‐chain migration processes of Ca2+ between polyether coordination sites. Finally, the conductivity values of NPCY/(CaTf2)x, which is up to 10−4 S ⋅ cm−1 at 80 °C, classify NPCY/(CaTf2)x as promising SPEs for the development of calcium secondary batteries.
The Many Facets of RuII(dppe)2 Acetylide Compounds
Authors: Rigaut Stéphane , Galangau Olivier 
Published: September 2024

AbstractIn this contribution, we describe the various research domains in which RuII alkynyl derivatives are involved. Their peculiar molecular properties stem from a strong and intimate overlap between the metal centered d orbitals and the π system of the acetylide ligands, resulting in plethora of fascinating properties such as strong and tunable visible light absorption with a strong MLCT character essential for sensing, photovoltaics, light‐harvesting applications or non‐linear optical properties. Likewise, the d/π mixing results in tunable redox properties at low potential due to the raising of the HOMO level, and making those compounds particularly suited to achieve redox switching of various properties associated to the acetylide conjugated ligand, such as photochromism, luminescence or magnetism, for charge transport at the molecular level and in field effect transistor devices, or charge storage for memory devices. Altogether, we show in this review the potential of RuII acetylide compounds, insisting on the molecular design and suggesting further research developments for this class of organometallic dyes, including supramolecular chemistry.
Detection of Guanine Quadruplexes by Raman Optical Activity and Quantum‐Chemical Interpretation of the Spectra
Authors: Kkadan Mohammed Siddhique Para , Jílek Štěpán , Profant Václav , Kapitán Josef , Kessler Jiří , Bouř Petr 
Published: September 2024

AbstractQuadruplexes formed by guanine derivatives or guanine‐rich nucleic acids are involved in metabolism and genetic storage of many living organisms, they are used in DNA nanotechnologies or as biosensors. Since many quadruplex geometries are possible the determination of their structures in aqueous solutions is difficult. Raman optical activity (ROA) can make it easier: For guanosine monophosphate (GMP), we observed a distinct change of the spectra upon its condensation and quadruplex formation. The vibrational bands become more numerous, stronger, and narrower. In particular, a huge ROA signal appears below 200 cm−1. The aggregation can be induced by high concentration, low temperature, or by a metal ion. We focused on well‐defined quadruplexes stabilized by potassium, where using molecular dynamics and density functional theory the spectra and particular features related to GMP geometric parameters could be understood. The simulations explain the main experimental trends and confirm that the ROA spectroscopy is sensitive to fine structural details, including guanine base twist in the quadruplex helix.
Advent of oral medications for the treatment of hereditary angioedema
Authors: Valerieva Anna , Caballero Teresa , Magerl Markus , Frade Joao P. , Audhya Paul K. , Craig Timothy 
Published: September 2024

AbstractBackgroundHereditary angioedema (HAE) is a rare genetic disorder characterized by unpredictable, debilitating episodes of submucosal and/or subcutaneous tissue swelling, which may be life‐threatening depending on anatomic location. The two primary management strategies for HAE are ready access to effective on‐demand treatment in all patients and the prevention of attacks (short‐term prophylaxis [STP] and long‐term prophylaxis [LTP]) in appropriate patients. All approved on‐demand and most LTP medications require subcutaneous or intravenous administration. Injection‐related challenges include trypanophobia (fear of needles), difficulty with self‐administration, injection‐site reactions (e.g., pain, erythema, bleeding, bruising), and anxiety—all contributing to poor compliance and administration delays. Oral HAE treatments may improve outcomes by reducing treatment barriers.AimTo review oral therapies, approved or in development, for on‐demand treatment and/or prevention of HAE attacks.Materials and MethodsTo provide a comprehensive review, data was obtained from publicly available resources through a targeted PubMed literature review and supplemented by information provided on company websites (search cutoff of May 31, 2024).ResultsBerotralstat, an oral plasma kallikrein (PKa) inhibitor, is approved for LTP. Sebetralstat, another PKa inhibitor, is the investigational first oral on‐demand HAE treatment to complete a phase 3 trial. Deucrictibant, an oral bradykinin B2 receptor antagonist, has completed phase 2 trials for on‐demand therapy and LTP. Several other oral PKa inhibitors (ATN249, VE‐4666, and VE‐4062) are in early development for LTP.ConclusionSubstantial advances have been made in the development of oral treatments for HAE. These treatments have the potential to improve and optimize clinical outcomes, satisfaction, and quality of life among patients with HAE.
Does insulin resistance predict prostate cancer? Results from the Reduction by Dutasteride of Prostate Cancer (REDUCE) Trial
Authors: Zheng Renning , Daniels James P. , Moreira Daniel M. , Eslamimehr Shakiba , Freedland Alexis R. , Guerrios‐Rivera Lourdes , Fowke Jay H. , Freedland Stephen J. 
Published: September 2024

AbstractPurposePrior studies testing the association between insulin resistance (IR) and prostate cancer (PC) risk are inconsistent. We examined the association between Homeostatic Assessment of Insulin Resistance (HOMA‐IR; calculated from fasting baseline insulin and glucose) and PC in REDUCE, a 4‐year randomized trial of dutasteride vs. placebo for PC prevention.Experimental designAll patients had prestudy negative biopsies and underwent study mandated biopsies at 2 and 4 years regardless of prostate‐specific antigen. Multivariable logistic regression models were used to investigate the associations between log‐transformed or categorized HOMA‐IR scores and PC risk. Multinominal regression was used to assess associations between HOMA‐IR scores and tumor grade (low grade [grade group 1]; high‐grade [grade groups 2–5]).ResultsAmong 5430 REDUCE participants (1212 with PC; 856 low‐ and 356 high‐grade), higher HOMA‐IR was associated with lower PC risk (log‐HOMA‐IR: OR, 0.89; 95% CI, 0.80–0.99; p = .03; categorized HOMA‐IR: p‐trend = .04). When stratified by grade, HOMA‐IR was significantly associated with reduced low‐grade PC risk (log‐HOMA‐IR: OR, 0.84; 95% CI , 0.74–0.94; p = .003; categorized HOMA‐IR: p‐trend = .002) but was unrelated to high‐grade PC (log‐HOMA‐IR: OR, 1.02; 95% CI, 0.86–1.21; p = .81; categorized HOMA‐IR: p‐trend = .26). Results were similar in placebo and treatment arms.ConclusionsIn summary, higher HOMA‐IR was associated with a reduced risk of low‐grade PC but was not associated with high‐grade disease. The mechanisms to explain these findings are unclear.
High‐abundance and low‐cost anodes for sodium‐ion batteries
Authors: Dou Yichuan , Zhao Lanling , Liu Yao , Zhang Zidong , Zhang Yiming , Li Ruifeng , Liu Xiaoqian , Zhou Ya , Wang Jiazhao , Wang Jun 
Published: September 2024

AbstractNowadays, sodium‐ion batteries are considered the most promising large‐scale energy storage systems (EESs) due to the low cost and wide distribution of sodium sources as well as the similar working principle to lithium‐ion batteries (LIBs). Therefore, screening suitable materials with high abundance, low cost, and excellent reliability and modified with different strategies based on them is the key point for the development of sodium‐ion batteries (SIBs). In addition, the ideal anodes with high abundance, and low cost elements also greatly influence the cost of SIB systems, determining the large‐scale application. Herein, recent advances in carbon, iron, manganese, and phosphorus‐based anodes of various types, such as hard carbon, iron oxides, manganese oxides, and red phosphorus, are highlighted. The various sodium storage mechanisms and structure‐function properties for these four types of materials are summarized and analyzed in detail. Considering the commercial profits that the EESs can bring and their suitability for mass electrode manufacturing, the participation of high‐abundance and low‐cost elements such as Fe, Mn, C, and P is convincing and encouraging.
Phase 1 Evaluation of the Bioequivalence and Drug‐Drug Interaction Potential of a Novel Fixed‐Dose Combination of Ezetimibe, Atorvastatin, and Amlodipine
Authors: Lim Hyung Soon , Kim Jae Hoon , Hong Jang Hee , Jung Jin‐Gyu , Sunwoo Jung 
Published: September 2024

AbstractA fixed‐dose combination (FDC) of ezetimibe, atorvastatin, and amlodipine has been developed to improve medication adherence among patients with cardiovascular diseases. In a randomized, open‐label, multiple‐dose, fixed‐sequence study involving 34 participants (Study 1), the potential drug‐drug interaction between ezetimibe/atorvastatin FDC and amlodipine was evaluated. Additionally, a randomized, open‐label, crossover study with 60 participants (Study 2) compared the pharmacokinetics (PKs) of ezetimibe/atorvastatin/amlodipine FDC to those of individual formulations. Co‐administration of the ezetimibe/atorvastatin FDC and amlodipine did not significantly alter the PKs of either drug. However, amlodipine resulted in a slight increase in systemic exposure to atorvastatin by approximately 23%. Geometric mean ratios (FDC to individual formulations) and 90% confidence intervals of area under the time‐concentration curve at steady state during dosing interval (AUCτ, ss) and maximum concentration at steady state (Cmax, ss) or amlodipine, atorvastatin, and ezetimibe were all within the bioequivalent range (0.8‐1.25), confirming bioequivalence. Moreover, the FDC of ezetimibe, atorvastatin, and amlodipine exhibited comparable tolerability to corresponding individual formulations.