bluuebunny/crossref_metadata_2025_split huggingface dataset:
State Policies Regulating Firearms and Changes in Firearm Mortality
Authors: Schell Terry L. , Smart Rosanna , Cefalu Matthew , Griffin Beth Ann , Morral Andrew R. 
Published: July 2024

ImportanceDespite high social and public health costs of firearm violence in the United States, the effects of many policies designed to reduce firearm mortality remain uncertain.ObjectiveTo estimate the individual and joint effect sizes of state firearm policies on firearm-related mortality.Design, Setting, and ParticipantsIn this comparative effectiveness study, bayesian methods were used to model panel data of annual, state-level mortality rates (1979-2019) for all US firearm decedents, with analyses conducted in October 2023.ExposuresSix classes of firearms policies: background checks, minimum age, waiting periods, child access, concealed carry, and stand-your-ground laws.Main Outcome and MeasuresPrimary outcomes (total firearm deaths, firearm homicide deaths, and firearm suicide deaths) were assessed using the National Vital Statistics System. Bayesian estimation was used to estimate the partial association of changes in firearms policies with subsequent changes in firearm mortality.ResultsThe estimated effect sizes of individual policies 5 or more years after implementation were generally small in magnitude and had considerable uncertainty. The policy class with the highest probability of reducing firearm deaths was child-access prevention laws, estimated to reduce overall firearm mortality by 6% (80% credible interval [CrI], −2% to −9%). The policy class with the highest probability of increasing firearm deaths was stand-your-ground laws, estimated to increase firearm homicides by 6% (80% CrI, 0% to 13% increase). Estimates of association of implementing multiple firearm restrictions with subsequent changes in firearm mortality yielded larger effect sizes. Moving from the most permissive to most restrictive set of firearm policies was associated with an estimated 20% reduction in firearm deaths (80% CrI, 10% to 28% reduction), with a 0.99 probability of any reductions in firearm death rates.Conclusions and RelevanceIn this comparative effectiveness study of state firearm policies, the joint effect estimates of combinations of firearm laws were calculated, showing that restrictive firearm policies were associated with substantial reductions in firearm mortality. Although policymakers would benefit from knowing the effects of individual policies, the estimated changes in firearm mortality following implementation of individual policies were often small and uncertain.
Sucrose‐Based Dense, Pure, and Highly‐Crystalline Graphitic Materials for Lithium‐Ion Batteries
Authors: Jurkiewicz Karolina , Liszka Barbara , Gancarz Paweł , Smykała Szymon , Zygadło Dorota , Nokielski Patryk , Lamrani Taoufik , Talik Ewa , Wrzalik Roman , Walkowiak Mariusz , Ilavsky Jan 
Published: July 2024

AbstractAt present, most synthetic graphite materials commonly used as anode active ingredients in lithium‐ion cells are produced by graphitization of petroleum cokes. The carbon footprint associated with synthetic graphite production is significant. Thus, bio‐derived and cheap precursors, such as saccharides, would be an attractive alternative for the sustainable production of graphitic carbons. However, they are non‐graphitizing at temperatures as high as 3000 °C, preserving the curved, fullerene‐like structure of graphene layers and microporosity. Consequently, many lithium ions are consumed during the formation of solid electrolyte interphase films and passivated in the nanovoids. Here, a method for the production of pure, crystalline, graphitic materials based on sucrose disposed of microporosity is presented, which also works with a variety of saccharides and other organic precursors of hard carbons—generally considered incapable of such transformation. This process employs catalytic graphitization by Si particles at high temperatures. The electrochemical response of such derived sucrose‐based graphite in Li‐ion half‐cells demonstrated its feasibility to serve as an anode active material for rechargeable Li‐ion batteries.
Molecular Electro(Photo)Catalysis: Triarylamine and Triarylimidazole Derivatives Mediated Oxidation Systems in Organic Electrosynthesis
Authors: Liu Shuai , Ma Li , Hao Feixiang , Gao Wei , Li Baoying , Liu Siyuan , Liu Zunqi , Li Yuehui , Chen Jianbin 
Published: July 2024

AbstractOrganic electrosynthesis has become a green, efficient and sustainable alternative to traditional organic transformation for the redox reactions. In this connection, indirect electrolysis employing redox mediators is attaining increasing significance as it offers a chance to improve reaction selectivity and avoids the over‐oxidation/reduction issues encountered in direct electrolysis. Triarylamines and triarylimidazoles, as representative organic molecular mediators, have attracted widespread attention in recent years due to the advantages of well‐defined easy structural modification and tunable redox ability. Hence, in this minireview, the recent growth of triarylamine and triarylimidazole derivatives mediated electrochemical oxidation reactions were presented, highlighting the structural optimization, electrochemical performance and reaction mechanism of these organic mediators. Moreover, the photocatalytic and photoelectrocatalytic cases with these molecular mediators were also highlighted. To conclude, the current challenges and future prospects of this field are also discussed.
Origami Morphing Surfaces with Arrayed Quasi‐Rigid‐Foldable Polyhedrons
Authors: Li Jiacong , Bao Jiali , Ho Chengyeh , Li Shuguang , Xu Jing 
Published: July 2024

AbstractArtificial morphing surfaces, inspired by the high adaptability of biological tissues, have emerged as a significant area of research in recent years. However, the practical applications of these surfaces, constructed from soft materials, are considerably limited due to their low shear stiffness. Rigid‐foldable cylinders are anisotropic structures that exhibit high adaptability and shear stiffness. Thus, they have the potential to address this issue. However, changes in shape and area at both ends during folding can lead to collisions or gaps on the morphing surface. Here, a quasi‐rigid‐foldable (QRF) rate is first introduced to quantify the rigid‐foldability of a foldable structure and validate it through experiments. More importantly, a QRF polyhedron is then proposed, which is not only notably anisotropic, similar to a rigid‐foldable cylinder, but also exhibits a zero‐Poisson's ratio property, making it suitable for arraying as morphing surfaces without any collisions or gaps. Such surfaces have a myriad of applications, including modulating electromagnetic waves, gripping fragile objects, and serving as soles for climbing robots.
Self‐Selective Crossbar Synapse Array with n‐ZnO/p‐NiOx/n‐ZnO Structure for Neuromorphic Computing
Authors: Chung Peter Hayoung , Ryu Jiyeon , Seo Daejae , Sahu Dwipak Prasad , Song Minju , Kim Junghwan , Yoon Tae‐Sik 
Published: July 2024

AbstractArtificial synapse devices are essential elements for highly energy‐efficient neuromorphic computing. They are implemented as crossbar array architecture, where highly selective synaptic weight updates for training and sneak leakage‐free inference operations are required. In this study, self‐selective bipolar artificial synapse device is proposed with n‐ZnO/p‐NiOx/n‐ZnO heterojunction, and its analog synapse operation with high selectivity is demonstrated in 32 × 32 crossbar array architecture without the aid of selector devices. The built‐in potential barrier at p‐NiOx/n‐ZnO junction and the Zener tunneling effect provided nonlinear current–voltage characteristics at both voltage polarities for self‐selecting function for synaptic potentiation and depression operations. Voltage‐driven redistribution of oxygen ions inside n–p–n oxide structure, evidenced by x‐ray photoelectron spectroscopy, modulated the distribution of oxygen vacancies in the layers and consequent conductance in an analog manner for the synaptic weight update operation. It demonstrates that the proposed n–p–n oxide device is a promising artificial synapse device implementing self‐selectivity and analog synaptic weight update in a crossbar array architecture for neuromorphic computing.
Highly Concentrated Asymmetric KTFSI for Aqueous Potassium Ion Batteries
Authors: Kumaresan Thileep Kumar , Ikhe Amol Bhairuba , Park Woon‐Bae , Prabakar S. J. Richard , Noh Hyeon Su , Seo Jung Yong , Lee Young‐Kook , Sohn Kee‐Sun , Kwak Joon Seop , Pyo Myoungho 
Published: July 2024

AbstractPotassium imide salt (KCTFSI), featuring cyano (C≡N) and trifluoromethanesulfonyl (TFSI) branches, is reported for the first time as a promising electrolyte for aqueous potassium‐ion batteries (KIBs). In contrast to the limited solubility of symmetric KTFSI (1.5m), asymmetric KCTFSI achieves a high saturation concentration of 32.2m within a “water‐in‐salt” region. Experimental and theoretical studies reveal that the remarkable enhancement of solubility is associated with the asymmetry of CTFSI anions and likely the preferential formation of contact‐ion pairs through C≡N coordination. The 32.2m KCTFSI solution not only extends the electrochemical stability window (3.80 V on Al) but also maintains a liquid state at low temperatures (−15 °C) for an extended period, in sharp contrast to the immediate solidification of potassium bis(fluorosulfonyl)imide (KFSI, 30m) and potassium trifluoromethanesulfonate (KOTF, 22m) solutions. Thanks to its wide voltage window and supercooling behavior, KCTFSI demonstrates excellent compatibility with perylene‐3,4,9,10‐tetracarboxylic diimide (PTCDI) anode and KVPO4F (or K2Fe[Fe(CN)6]·2H2O) cathode over a wide temperature range. For instance, full cells of PTCDI/KCTFSI/KVPO4F exhibit reasonable cyclability with an average discharge voltage of 1.7 V over 300 charge/discharge cycles at −15 °C. it is anticipated that this work will inspire new designs of hybrid electrolytes based on CTFSI to advance the realization of viable aqueous KIBs.
Online media sentiment analysis for US oysters
Authors: Bradford Taylor L. , Quagrainie Kwamena K. 
Published: July 2024

AbstractSentiment analysis, a form of data analytics, utilises information from online discussions, reviews, and social media posts to assess consumer sentiments. This study utilised data collected from social media using online listening procedures to assess online sentiments on oysters from January 2019 through December 2022. The analysis utilises machine learning algorithms to extract consumer sentiments, opinions, and demands from online chatter from different online domains. The online sentiments are determined as positive, negative, or neutral based on their word choice, tone, and context. The information provided gives insights into perception, which is valuable information for oyster producers, seafood industry stakeholders, and marketers to identify consumer preferences and formulate appropriate strategies accordingly. The results suggest that while farmed oysters are gaining popularity, there are still some concerns and criticisms around the industry. Positive words associated with mentions of oysters in general include ‘great’, ‘love’, ‘delicious’, ‘enjoyed’, and ‘oyster bar’, while negative words associated with oysters include ‘water’, ‘raw oyster’, ‘bad’, and ‘not eat’. The overall percentage net sentiment associated with all oysters in the United States is positive at 63%. The net sentiment associated with wild oysters is positive, at 51%, and that of farmed oysters is 58%. The oyster industry could invest more in public education, sustainability, and water‐cleaning initiatives to improve its image. Utilising social media to monitor and shape public perception can help the industry address concerns and enhance oyster‐related sentiments, offering valuable insights for marketing and sales strategies.
Development of Two Synthetic Routes to 4‐(N‐Boc‐N‐methylaminomethyl)benzaldehyde: A Versatile Starting Material in Pharmaceutical Synthesis
Authors: Park Jinjae , Jeong Myunghoon , Li Shirun , Seo Ju‐Ahn , Lee Yong Ho , Cheon Cheol‐Hong 
Published: July 2024

AbstractTwo novel synthetic routes to 4‐(N‐Boc‐N‐methylaminomethyl)benzaldehyde, an important pharmaceutical starting material, were developed using terephthaloyl chloride and terephthalaldehyde. In the first approach, terephthaloyl chloride was converted to an ester amide. The treatment of the ester amide with LiAlH4 followed by protection of the resulting amine with tert‐butoxycarbonyl anhydride yielded the corresponding benzyl alcohol. The benzyl alcohol was oxidized to the aldehyde completing the first‐generation synthesis. The second approach utilized a one‐step protocol mono‐selective reductive amination of terephthalaldehyde with N‐Boc‐methylamine using chlorodimethylsilane. Both methods were scalable to 50 mmol and provided the desired aldehyde in a synthetically useful yield, demonstrating their practicality.
Influence of Fractional and Decay Parameters on the SU(1,1) Quantum System Interaction with Three‐Level Atom
Authors: Obada A.‐S. F. , Abu‐Shady M. , Khalil E. M. , Habeba H. F. 
Published: July 2024

AbstractThrough the generalized fractional derivative, it is studied how the decay term and the fractional parameter affect the quantum system, specifically the interaction between the SU(1,1) algebraic system and a three‐level atom. By transforming the differential equations into fractional differential equations, general fractional solutions are obtained. The influence of decay and fractional parameter on phenomena such as revival and collapse, entropy squeezing, purity, and concurrence are investigated. The results demonstrate how both decay and fractal parameter affect periods of collapse and revival. It is worth noting that the decay parameter shortens the collapse periods, while an increase in the fractional parameter leads to longer collapse periods. The decay parameter also reduces the degree of entanglement between the different components of the quantum system, while increasing the fractional parameter enhances the entanglement within the quantum system. Hence, it can be concluded that the fractional parameter plays a crucial role in the observed effects on the studied properties.
Total Synthesis of (+)‐Kalmanol
Authors: Ma Tianhao , Ma Yiming , Li Bo , Jia Yanxing 
Published: July 2024

AbstractKalmanol, the flagship member of the kalmane diterpene family, possesses a complex and highly oxidized 5/5/8/5 tetracyclic skeleton with nine contiguous stereocenters and exhibits significant analgesic effects and cardiotoxic properties. We have achieved the efficient total synthesis of (+)‐kalmanol in 22 steps with 2.3 % yield. The synthesis featured a Rh‐catalyzed [5+2+1] cycloaddition reaction to construct 5/5/8 tricyclic skeleton, and a meticulously designed sequence of stereoselective oxidations of the 5/5/8/5 tetracyclic skeleton.
Synthesis of Thiol Functionalized MOF‐808 and its Efficiency for Mercury Removal
Authors: Ahmed Khaled H. , Saleh Tawfik A. , Abdulazeez Ismail , Asmaly Hamza A. 
Published: July 2024

AbstractA thiol‐functionalized MOF‐808 was produced and used to remove mercury by post‐synthetic modification using 6‐mercaponicotinic acid (6mna). Parent MOF‐808 was impregnated for varied periods in the 6mna solution to create modified MOF‐808 materials, known as MOF‐808‐6mna‐x, where x refers to the impregnation time. Diffraction and several spectroscopic techniques were employed to quantify and confirm the coordination of 6mna into MOF‐808 framework. The amount of grafted 6man and the ability for adsorption of mercury (Hg) was shown to be linearly associated; the functionalized MOF‐808‐6mna‐36 demonstrated improved Hg(II) removal, with an adsorption capacity of 250 mg/g.
Synthesis of Spirocyclic‐1,3‐Indandione Containing‐Cyclopentenones and ‐Benzotropones
Authors: Mishra Gitanjali , Yazhinimuthu C. M. , Thirupathi Barla 
Published: July 2024

AbstractSynthesis of functionalized 1,3‐indandiones containing‐cyclopentenones and ‐benzotropones has been achieved by the reaction of 1,5‐diphenylpenta‐1,4‐diyn‐3‐ones with 1,3‐indandiones, bindone respectively. The developed method involves Michael‐anti‐Michael addition cascade reactions under transition‐metal‐free conditions. This is the first report to synthesise diverse benzotropone fused with 1,3‐indandiones under transition metal‐free conditions from bindone.
Biotransformation of rifampicin by Aspergillus niger and antimicrobial activity of proposed metabolites
Authors: Sponchiado Rafaela Martins , Sorrentino Júlia , Cordenonsi Letícia , Fuentefria Alexandre Meneghello , Dallegrave Alexandro , Steppe Martin , Mendez Andreas Sebastian Loureiro , Puton Bruna Maria Saorin , Cansian Rogério Luis , Garcia Cássia Virginia 
Published: July 2024

AbstractDrug biotransformation studies emerges as an alternative to pharmacological investigations of metabolites, development of new drug candidates with reduced investment and most efficient production. The present study aims to evaluate the capacity of biotransformation of rifampicin by the filamentous fungus Aspergillus niger ATCC 9029. After incubation for 312 h, the drug was metabolized to two molecules: an isomer (m/z 455) and the rifampicin quinone (m/z 821). The monitoring of metabolite formation was performed by high‐performance liquid chromatography, followed by their identification through ultra‐high‐performance liquid chromatography coupled to tandem mass spectrometer. In vitro antimicrobial activity of the proposed metabolites was evaluated against Staphylococus aureus microorganism, resulting in the loss of inhibitory activity when compared with the standards, with minimum inhibitory concentration of 7.5 μg/ml. The significant biotransformation power of the ATCC 9029 strain of A. niger was confirmed in this study, making this strain a candidate for pilot studies in fermentation tanks for the enzymatic metabolization of the antimicrobial rifampicin. The unprecedented result allows us to conclude that the prospect of new biotransforming strains in species of anemophilic fungi is a promising choice.
Long‐term outcome of definitive radiotherapy for locally advanced non‐small cell lung cancer: A real‐world single‐center study in the pre‐durvalumab era
Authors: Zhu Hong , Xu Yi , Gao Huiquan , Fan Xingwen , Fan Ming , Zhao Kuaile , Yang Huanjun , Zhu Zhengfei , Wu Kailiang 
Published: July 2024

AbstractBackgroundThere was limited research data on large‐scale locally advanced non‐small cell lung cancer (LA‐NSCLC) radical radiotherapy (RT) reported in China. This study examined overall survival (OS), progression‐free survival (PFS), treatment effectiveness, and toxicity in patients with LA‐NSCLC treated with definitive RT in the pre‐durvalumab era.MethodsA retrospective analysis of demographic information, clinical characteristics, treatment patterns, and clinical outcomes of 789 patients with LA‐NSCLC who underwent radical RT at our center between January 2005 and December 2015 was performed. The Kaplan–Meier method and log‐rank test were used for survival comparisons, and Cox regression was used for multivariate analysis.ResultsThere were 328 patients with stage IIIA disease and 461 with stage IIIB disease. By the last follow‐up, there were 365 overall deaths and 576 cases of recurrence, metastasis, or death. The median survival time was 31 months. The OS rates at 1, 2, 5, and 10 years were 83.7%, 59.5%, 28.8%, and 18.9%, respectively. PFS rates at 1, 2, 5, and 10 years were 48%, 24.5%, 11.9%, and 5.5%, respectively. Rates of ≥grade 3 acute radiation pneumonitis or esophagitis were 7.6% and 1.9%, respectively. Rates of ≥grade 3 chronic radiation pneumonitis and esophagitis were 11% and 0.4%, respectively. Multivariate analysis showed that the Karnofsky Performance Status (KPS) score, smoking status, and combined chemotherapy were prognostic factors for OS (p < 0.05). Multivariate analysis revealed that combined chemotherapy and radiation dose were prognostic factors for PFS (p < 0.05).ConclusionsOur center's data showed that the survival prognosis of locally advanced patients receiving RT and chemotherapy in China was consistent with international levels during the same period. Patients with a KPS score of 80 or higher, who had never smoked or received combined RT, had a more favorable prognosis than those with a KPS of less than 80, who had smoked, or only received RT. The combination of RT and chemotherapy, with a reasonable radiation dose, was the key to improving the therapeutic effect.
Network‐Based Drug Repurposing and Genomic Analysis to Unveil Potential Therapeutics for Monkeypox Virus
Authors: Rabaan Ali A. , Alfaresi Mubarak , Alrasheed Hayam A , Al Kaabi Nawal A. , Abduljabbar Wesam A. , Al Fares Mona A. , Al‐Subaie Maha F. , Alissa Mohammed 
Published: July 2024

AbstractThe emergence of the human monkeypox virus (MPXV) and the lack of effective medications have necessitated the exploration of various strategies to combat its infection. This study employs a network‐based approach to drug discovery, utilizing the BLASTn and phylogenetic analysis to compare the MPXV genome with those of 18 related orthopoxviruses, revealing over 75 % genomic similarity. Through a literature review, 160 human‐host proteins linked to MPXV and its relatives were identified, leading to the construction of a human‐host protein interactome. Analysis of this interactome highlighted 39 central hub proteins, which were then examined for potential drug targets. The process successfully revealed 15 targets already approved for use with medications. Additionally, the functional enrichment analysis provided insights into potential pathways and disorders connected with these targets. Four medications, namely Baricitinib, Infliximab, Adalimumab, and Etanercept, have been identified as potential candidates for repurposing to combat MPXV. In addition, the pharmacophore‐based screening identified a molecule that is comparable to Baricitinib and has the potential to be effective against MPXV. The findings of the study suggest that ZINC22060520 is a promising medication for treating MPXV infection and proposes these medications as potential options for additional experimental and clinical assessment in the battle against MPXV.
Enzyme Inhibitory Activities, Phenolic Profile, and In Silico Studies of Sorbus torminalis Tree Bark Methanol Extract
Authors: Radović Selgrad Jelena , Milutinović Violeta , Suručić Relja , Samardžić Stevan , Kopanja Đurđica , Kundaković‐Vasović Tatjana 
Published: July 2024

AbstractThe different parts of Sorbus torminalis (L.) Crantz are used in traditional medicine for various conditions such as cardiac diseases, cough, and diabetes, indicating its significant medicinal potential. Therefore, the current investigation aimed to reveal the phenolic composition of the poorly studied S. torminalis methanol extract of the bark, as well as its capacity to inhibit enzymes relevant to cardiovascular, neurodegenerative, and metabolic diseases. A total of 28 phenolic components, including 20 procyanidins aglycones (A‐ and B‐type), four procyanidin glycosides, catechin and its glycoside, and two (epi)catechin derivatives, were detected using LC–MS. The contents of total polyphenols (6.22 %), total tannins (3.04 %), condensed tannins (0.70 %), and total flavonoids (0.24 %) were determined spectrophotometrically, highlighting the considerable phenolic richness of the examined plant material. The concentration‐dependent ability to inhibit α‐amylase (IC50=130 μg /mL), α‐glucosidase (IC50=312.13 μg /mL), acetylcholinesterase (IC50=156.46 μg /mL), butyrylcholinesterase (IC50=217.68 μg /mL), and angiotensin‐converting enzyme (IC50=36.77 μg /mL) was demonstrated in vitro. The in silico approach showed that catechin, procyanidin B2 and C1, S. torminalis bark constituents, can form stable complexes with the target enzymes but with different binding affinity. The results supported the medicinal potential of S. torminalis bark and significantly expanded our knowledge of its chemistry, justifying further research.