bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discussion of “Specifying prior distributions in reliability applications”
Authors: Ng Hon Keung Tony 
Published: June 2023

AbstractSpecifying prior distributions in the Bayesian method is a fundamental but complex problem, especially when conjugate prior does not exist. Tian et al. (Appl Stoch Models Bus Ind; 2023) have captured the spirit of specifying prior distributions in Bayesian analysis for reliability data and presented different approaches coherently. In this discussion, I will focus on specifying prior distributions based on the knowledge of the aging behavior or hazard function and study the effect of misspecifying the informative priors. A Monte Carlo simulation study based on Type 2 censored data from Weibull distribution is used to illustrate the performance of the estimation procedures based on informative and non‐informative priors.
Comparing PFAS removal across multiple groundwaters for eight GACs and alternative adsorbent
Authors: Pannu Manmeet W. , Chang Joseph , Medina Ricardo , Grieco Scott A. , Hwang Michael , Plumlee Megan H. 
Published: June 2023

AbstractEight granular activated carbons (GACs) and one alternative adsorbent (AA) were evaluated using rapid small‐scale column tests (RSSCTs) to remove low level per‐ and polyfluoroalkyl substances (PFAS) from several groundwaters. Results suggested variability among waters for adsorbents to reach breakthrough. Time to reach breakthrough appeared to be inversely proportional to the background dissolved organic carbon (DOC). Bituminous GACs (particularly F400 and UC1240LD) were more effective than non‐bituminous. The elution order for PFAS was PFHxA (C6) > PFBS (C4) > PFOA (C8) > PFHxS (C6) > PFOS (C8). Multivariate regression predicted bed volumes at which F400 reached significant exhaustion (defined here as 60%) for PFOA using only two parameters (humic acid, DOC). This merits further study as these parameters could potentially be incorporated into models for predicting PFAS breakthrough. VOCs presence negatively impacted PFAS adsorption on GAC. Relative to GACs, the AA was not nearly as impacted by DOC and showed superior performance.
Bauteiluntersuchung von Holzrahmenwänden mit Verwendung brennbarer Dämmstoffe
Authors: Scheidel Sabine , Dienst Sebastian , Götz Tobias , Kornadt Oliver 
Published: June 2023

AbstractZur Untersuchung der raumabschließenden Funktion von Holzrahmenbauteilen wurden an der Rheinland‐Pfälzischen Technischen Universität Kaiserslautern Landau (RPTU) zwei Großbrandversuche durchgeführt. Diese Versuche sollen die wissenschaftlichen und technischen Zusammenhänge der Ausführung von Holzrahmenbauteilen und deren anzunehmender Feuerwiderstand zur Sicherstellung der raumabschließenden Funktion aufzeigen. Hintergrund ist die oftmals als zu konservativ angesehene Auslegung des Berechnungsverfahrens nach Eurocode 5 Teil 1–2 und die daraus resultierende Überdimensionierung der raumabschließenden Bauteile. Die Auslegung von Bauteilen in einem deutlich größeren Querschnitt als benötigt widerspricht dem Grundgedanken bei der Anwendung der Holzbauweise, eine ressourcenschonende und ökologische Bauart auszuführen. Zugleich steigt ebenso die Nachfrage nach Möglichkeiten, brennbare Dämmstoffe im Holzrahmenbau zu integrieren. Auch hier spielt der Wunsch, eine ganzheitlich nachhaltige Bauweise auszuführen, eine große Rolle. Daher wurden bei den Großbrandversuchen zwei Bauteile untersucht, die auf diese Aspekte eingehen und das Sicherheitsniveau einer solchen Bauweise aufzeigen sollen.
Optimising pre‐operative imaging–surgery intervals for stones
Authors: Chibuzo Ijeoma , Vucicevic Aleksandar , Oliyide Abisola , Adeyoju Adebanji , Gall Zara 
Published: June 2023

AbstractIntroduction and objectivesThe NICE guidelines for acute ureteric colic recommend diagnostic imaging, definitive management and definitive care within 24 and 48 h of symptoms and 4 weeks of temporisation, respectively. However, the NHS reality is fraught with long waiting times to definitive treatment, further compounded by a progressively increasing stone burden, paucity of on‐site lithotripters and a decrease in non‐cancer elective theatre sessions during the COVID‐19 pandemic. By the time patients attended the elective surgeries, their reference images (RIs) were often significantly out of date. Scant direction exists on what interval between imaging and surgery invalidates the usefulness of the RIs in providing surgical guidance.This study aimed to evaluate the role of imaging–surgery intervals (ISIs) on upper tract stone negative surgery outcomes and derive a cut‐off ISI warranting updated images, with a view to improving efficiency and patient safety.Materials and methodsUpper tract stone surgeries were retrospectively assessed. Each renal unit was considered independently in bilateral stones. Cases were grouped into renal/pelvic (referred to as ‘RENAL’) and URETERIC stones. Data retrieved included the ISI, intra‐operative disparity (IOD) between stone‐related features on RIs and the surgical findings. Receiver operating curves (ROCs) were used to determine ISI cut‐offs more predictive of IODs.ResultsFour hundred and twenty‐seven surgeries on 174 (40.7%) RENAL and 253 (59.3%) URETERIC stones were appraised. No stones were found intraoperatively in 52 (12.1%) patients. Longer ISIs were associated with IODs, especially with URETERIC stones (p = 0.011, CI95 0.63; 4.84). The derived ROC ISI cut‐offs beyond which IODs, including negative surgeries, were more likely were 9 weeks for URETERIC (AUC: 63%, CI95 0.56; 0.70) and 19 weeks (AUC: 58.6%, CI95 0.50; 0.68) for RENAL stones, respectively.ConclusionThere is a need to update reference imaging done more than 9 or 19 weeks before surgery for URETERIC and RENAL stones, respectively.
Multi‐color luminescence of Sm3+‐doped Na2YMg2V3O12 phosphor potentially applicable in white‐LEDs
Authors: Zhang Weiyi , Shao Yanqiu , Zhu Ying , Shao Yingying , Tian Chao , He Can 
Published: June 2023

AbstractA novel multi‐color emitting Na2YMg2V3O12:Sm3+ phosphor was synthesized using a solid‐state reaction, and its crystal structure, luminescence properties, and thermal stability were studied. Charge transfer within the (VO4)3− groups in the Na2YMg2V3O12 host led to a broad emission band between 400 and 700 nm, with a maximum at 530 nm. The Na2Y1−xMg2V3O12:xSm3+ phosphors exhibited a multi‐color emission band under 365 nm near‐ultraviolet (near‐UV) light, consisting of the green emission of the (VO4)3− groups and sharp emission peaks at 570 nm (yellow), 618 nm (orange), 657 nm (red), and 714 nm (deep red) of Sm3+ ions. The optimal doping concentration of Sm3+ ions was found to be 0.05 mol%, and the dipole–dipole (d–d) interaction was primarily responsible for the concentration quenching phenomenon. Using the acquired Na2YMg2V3O12:Sm3+ phosphors, commercial BaMgAl10O17:Eu2+ blue phosphor, and a near‐UV light‐emitting diode (LED) chip, a white‐LED lamp was designed and packaged. It produced bright neutral white light, manifesting a CIE coordinate of (0.314, 0.373), a color rendering index (CRI) of 84.9, and a correlated color temperature (CCT) of 6377 K. These findings indicate the potential of Na2YMg2V3O12:Sm3+ phosphor to be used as a multi‐color component for solid‐state illumination.
Cancer‐directed surgery in patients with metastatic cancer: A systematic review and meta‐analysis of randomized evidence
Authors: Abel Mary Kathryn , Myers Ellen L. , Minkin Ellen , Tahir Peggy , Haynes Alex B. , Wright Jason D. , Rauh‐Hain J. Alejandro , Melamed Alexander 
Published: June 2023

AbstractPurposeTo assess the impact of primary‐site surgery plus systemic therapy compared to systemic therapy alone on overall survival in common metastatic cancer types.MethodsData sources included Embase, PubMed, and Web of Science (January 1, 1995–March 22, 2023). Randomized controlled trials were included that enrolled patients diagnosed with the 10 most common de novo metastatic cancer types in the Surveillance, Epidemiology, and End Results database and randomized patients to resection of the primary site and systemic therapy versus systemic treatment alone. Random‐effects models were used to pool associations by cancer type.ResultsEight studies with 1774 patients evaluating the efficacy of surgery in breast, renal, stomach, and colorectal cancer were included. There was no statistically significant reduction in risk of all‐cause mortality associated with surgical intervention for metastatic breast (HR = 0.94, 95% CI 0.63–1.40) or renal cancer (HR = 0.79, 95% CI 0.53–1.20), although results were heterogeneous (I2 = 73.7% and 80.6%, respectively). One study evaluating gastrectomy in metastatic stomach cancer found no benefit (HR = 1.09, 95% CI 0.78–1.52), while a small trial suggested that surgery and hyperthermic intraperitoneal chemotherapy might be beneficial for colorectal cancer with peritoneal metastasis (HR = 0.55, 95% CI 0.32–0.95).ConclusionsFew randomized trials have evaluated cancer‐directed surgery among patients with metastatic solid malignancies.
Gen Xers: Perceived barriers and motivators to fashion renting from the Indian cultural context
Authors: Jain Ritu , Singh Gurinder , Jain Sheetal , Jain Kokil 
Published: June 2023

AbstractRecently, the thought processes of consumers are evolving universally, making them reflective of the detrimental ecological footprints owing to excessive fashion consumption at a personal level. Consequently, they are increasingly thinking about accessing alternative, sustainable modes of consuming fashion. Furthermore, this transition is being witnessed across the generations and is not confined to any one generation. The current study pertains to the recent shift of “Generation X" towards fashion rentals. However, Gen X is considered less experimental, more conservative, and therefore less lucrative. To this end, the current study explores the barriers to Gen X's adoption of fashion rental and suggests motivations to promote it. It employs an interpretive qualitative research paradigm, obtains data from 32 Gen X fashion consumers via semi‐structured interviews, analyses the data using thematic analysis, and uses the theory of psychological ownership and the Hofstede cultural dimensions as an underpinning framework. Results indicate the emergence of six themes representing barriers, including loss of efficacy and effectance, loss of self‐identity and extended self, temporariness, environmental unsustainability, personal hygiene behaviour, and lifestyle. Similarly, motivations included three themes: long‐term subscriptions; transparency and assurances; and personalisation and storytelling. This implies that fashion rental firms need to embrace transparency and empower consumers through co‐creation, long‐term rental subscriptions, and the possibilities of possession. Further, the paper contributes to the identification of new dimensions, including a lack of nostalgia, risk avoidance, personal hygiene, an absence of personalisation, a dearth of education, emotional detachment, and voluntary simplicity in lifestyle. It also suggests future research.
Site‐Selective Aryl Diazonium Installation onto Protein Surfaces at Neutral pH using a Maleimide‐Functionalized Triazabutadiene
Authors: Yates Nicholas D. J. , Hatton Natasha E. , Fascione Martin A. , Parkin Alison 
Published: June 2023

AbstractAryl diazonium cations are versatile bioconjugation reagents due to their reactivity towards electron‐rich aryl residues and secondary amines, but historically their usage has been hampered by both their short lifespan in aqueous solution and the harsh conditions required to generate them in situ. Triazabutadienes address many of these issues as they are stable enough to endure multiple‐step chemical syntheses and can persist for several hours in aqueous solution, yet upon UV‐exposure rapidly release aryl diazonium cations under biologically‐relevant conditions. This paper describes the synthesis of a novel maleimide‐functionalized triazabutadiene suitable for site‐selectively installing aryl diazonium cations into proteins at neutral pH; we show reaction with this molecule and a surface‐cysteine of a thiol disulfide oxidoreductase. Through photoactivation of the site‐selectively installed triazabutadiene motifs, we generate aryl diazonium functionality, which we further derivatize via azo‐bond formation to electron‐rich aryl species, showcasing the potential utility of this strategy for the generation of photoswitches or protein‐drug conjugates.
Alkaline Water Splitting Using Hafnium‐Based Stable and Efficient Bifunctional Electrocatalyst
Authors: Chauhan Deepak , Itagi Mahesh , Ahn Young‐Ho 
Published: June 2023

AbstractThe desire to achieve sustainable development goals inspired exploring green energy as a favorable alternative to hazardous fossil fuel‐based energy. Alkaline water electrolysis is a promising candidate for producing low‐cost pure green hydrogen; however, the efficiency of non‐precious transitional metal‐based catalysts is still behind noble electrocatalysts (like Pt and IrO2). To make hydrogen a next‐generation fuel, the replacement of high‐cost scarce noble metal is required. An attempt has been made to use a non‐precious transitional bimetallic combination of hafnium nickel diselenide/ reduced graphene oxide (HfNiSe2/rGO) for HER, OER, and overall water splitting. HfNiSe2/rGO demonstrated good electrocatalytic performance; for achieving 10 mA/cm2 of current density, the overpotential requirement is 162 mV for hydrogen evolution reaction (HER) and 320 mV for oxygen evolution reaction (OER) at 20 mA/cm2 of current density. Similarly, a low Tafel slope is required, 49 mV dec−1 for HER and 66 mV dec−1 for OER in 1 M KOH with high stability. HfNiSe2/rGO also showed highly stable activity for overall water splitting, requiring only 1.56 V to attain 10 mA/cm2 of current density. The result indicates HfNiSe2/rGO is a suitable electrocatalyst for green hydrogen generation because of its ease of production, economical, good activity, and stability towards water splitting.
Tuning the Coordination Environment of Single‐Atom Iron Catalysts Towards Effective Nitrogen Reduction
Authors: Guo Zhongyuan , Liu Chuangwei , Sun Chenghua , Xu Jiang , Li Hao , Wang Tianyi 
Published: June 2023

AbstractElectrocatalytic nitrogen reduction reaction (eNRR) relies on developing efficient catalysts towards high reaction activity and selectivity. In recent years, designing single‐atom catalysts have been the research frontier in electrochemical reactions. However, compared to their widely studied applications in oxygen electrocatalysis, their potential structure‐function relationship and reaction mechanism in eNRR were less explored. Herein, single‐atom Fe−Nx−C materials were systematically analysed considering the coordination environments of single‐atom Fe. It was found that coordination environment plays a key role in determining the N2 adsorption and activation. Among the concept catalysts designed, FeCN2 and FeCN3 offer the highest eNRR activities with a suppressed side reaction (i. e., the hydrogen evolution). Moreover, the Bader charge of the single‐atom Fe and *NH adsorption energy can be the good descriptors to guide the design of eNRR catalysts. This study unravels the key role of coordination environment in tuning the reactivity of eNRR over single‐atom Fe−Nx−C materials.
A Novel Strategy for Deracemization Using Periodic Fluctuations of Concentration
Authors: Intaraboonrod Kritsada , Flood Adrian E. 
Published: June 2023

AbstractA novel concept of deracemization via periodic fluctuations of solute concentration is demonstrated. Fluctuation of concentration under isothermal conditions was induced by vacuum evaporation followed by re‐addition of solvent. Complete deracemization of a scalemic suspension of N‐(2‐methylbenzylidene)‐phenylglycine amide (NMPA) was achieved. The effects of initial enantiomeric excess, vacuum pressure, and duration of evaporation on the evolution of the solid phase enantiomeric excess and the mechanism of this strategy were studied. Pure enantiomorph NMPA could be achieved by this technique in an efficient and novel procedure. The process has advantages for compounds that have solubility with a weak temperature dependence or compounds that start to decompose at low temperature.
Fibrils Emerging from Droplets: Molecular Guiding Principles behind Phase Transitions of a Short Peptide‐Based Condensate Studied by Solid‐State NMR**
Authors: Lipiński Wojciech P. , Zehnder Johannes , Abbas Manzar , Güntert Peter , Spruijt Evan , Wiegand Thomas 
Published: June 2023

AbstractBiochemical reactions occurring in highly crowded cellular environments require different means of control to ensure productivity and specificity. Compartmentalization of reagents by liquid‐liquid phase separation is one of these means. However, extremely high local protein concentrations of up to 400 mg/ml can result in pathological aggregation into fibrillar amyloid structures, a phenomenon that has been linked to various neurodegenerative diseases. Despite its relevance, the process of liquid‐to‐solid transition inside condensates is still not well understood at the molecular level. We thus herein use small peptide derivatives that can undergo both liquid‐liquid and subsequent liquid‐to‐solid phase transition as model systems to study both processes. Using solid‐state nuclear magnetic resonance (NMR) and transmission electron microscopy (TEM), we compare the structure of condensed states of leucine, tryptophan and phenylalanine containing derivatives, distinguishing between liquid‐like condensates, amorphous aggregates and fibrils, respectively. A structural model for the fibrils formed by the phenylalanine derivative was obtained by an NMR‐based structure calculation. The fibrils are stabilised by hydrogen bonds and side‐chain π‐π interactions, which are likely much less pronounced or absent in the liquid and amorphous state. Such noncovalent interactions are equally important for the liquid‐to‐solid transition of proteins, particularly those related to neurodegenerative diseases.
Smart Wearable Patches Using Light‐Controlled Activation and Delivery of Photoswitchable Antimicrobial Peptides
Authors: Kalyvas John T. , Facal Marina Paula , Stachura Damian L. , Horsley John R. , Abell Andrew D. 
Published: June 2023

AbstractA novel strategy to treat Staphylococcus aureus (S. aureus) skin infections is presented, where UV light is used to facilitate concomitant light‐controlled activation and delivery of an antimicrobial therapeutic agent. Specifically, a new photoswitchable gramicidin S analogue was immobilized onto a polymeric wearable patch via a photocleavable linker that undergoes photolysis at the same wavelength of light required for activation of the peptide. Unlike toxic gramicidin S, the liberated active photoswitchable peptide exhibits antimicrobial activity against S. aureus while being ostensibly non‐haemolytic to red blood cells. Moreover, irradiation with visible light switches off the antimicrobial properties of the peptide within seconds, presenting an ideal strategy to regulate antibiotic activity for localized bacterial infections with the potential to mitigate resistance.
Rapid Access to Encapsulated Molecular Rotors via Coordination‐Driven Macrocycle Formation
Authors: Grinde Noah A. , Kehoe Zachary R. , Vang Herh G. , Mancheski Lucas J. , Bosch Eric , Southern Scott A. , Bryce David L. , Bowling Nathan P. 
Published: June 2023

AbstractMacrocycle formation that relies upon trans metal coordination of appropriately placed pyridine ligands within an arylene ethynylene construct provides rapid and reliable access to molecular rotators encapsulated within macrocyclic stators. Showing no significant close contacts to the central rotators, X‐ray crystallography of AgI‐coordinated macrocycles provides plausibility for unobstructed rotation or wobbling of rotators within the central cavity. Solid‐state 13C NMR of PdII‐coordinated macrocycles supports the notion of unobstructed movement of simple arenes in the crystal lattice. Solution 1H NMR studies indicate complete and immediate macrocycle formation upon the introduction of PdII to the pyridyl‐based ligand at room temperature. Moreover, the formed macrocycle is stable in solution; a lack of significant changes in the 1H NMR spectrum upon cooling to −50 °C is consistent with the absence of dynamic behavior. The synthetic route to these macrocycles is expedient and modular, providing access to rather complex constructs in four simple steps involving Sonogashira coupling and deprotection reactions.
A randomized sham‐controlled study of pulmonary vein isolation in symptomatic atrial fibrillation (The SHAM‐PVI study): Study design and rationale
Authors: Dulai Rajdip , Furniss Stephen S. , Sulke Neil , Freemantle Nick , Lambiase Pier D. , Farwell David , Srinivasan Neil T. , Tan Stuart , Patel Nikhil , Graham Adam , Veasey Rick A. 
Published: June 2023

AbstractIntroductionPulmonary vein (PV) isolation has been shown to reduce atrial fibrillation (AF) burden and symptoms in patients. However, to date previous studies have been unblinded raising the possibility of a placebo effect to account for differences in outcomes.Hypothesis & MethodsThe objective of this study is to compare PV isolation to a sham procedure in patients with symptomatic AF. The SHAM‐PVI study is a double blind randomized controlled clinical trial. 140 patients with symptomatic paroxysmal or persistent AF will be randomized to either PV isolation (with cryoballoon ablation) or a sham procedure (with phrenic nerve pacing). All patients will receive an implantable loop recorder. The primary outcome is total AF burden at 6 months postrandomisation (excluding the 3 month blanking period). Key secondary outcomes include (1) time to symptomatic and asymptomatic atrial tachyarrhythmia (2) total atrial tachyarrhythmia episodes and (3) patient reported outcome measures.ResultsEnrollment was initiated in January 2020. Through April 2023 119 patients have been recruited. Results are expected to be disseminated in 2024.ConclusionThis study compares PV isolation using cryoablation to a sham procedure. The study will estimate the effect of PV isolation on AF burden.
Global Planar Tetra‐, Penta‐ and Hexa‐coordinate Silicon Clusters Constructed by Decorating SiO3 with Alkali Metals
Authors: Wang Meng‐hui , Fei De‐hou , Chen Chen , Liu Yu‐qian , Pan Sudip , Cui Zhong‐hua 
Published: June 2023

AbstractThe achievement of the rule‐breaking planar hypercoordinate motifs (carbon and other elements) is mainly attributed to a practical electronic stabilization mechanism, where the bonding of the central atom pz π electrons is a crucial issue. We have demonstrated that strong multiple bonds between the central atom and partial ligands can be an effective approach to explore stable planar hypercoordinate species. A set of planar tetra‐, penta‐ and hexa‐coordinate silicon clusters were herein found to be the lowest‐energy structure, which can be viewed as decorating SiO3 by alkali metals in the MSiO3−, M2SiO3 and M3SiO3+ (M=Li, Na) clusters. The strong charge transfer from M atoms to SiO3 effectively results in [M]+SiO32−, [M2]2+SiO32− and [M3]3+SiO32− salt complexes, where the Si−O multiple bonding and structural integrity of the Benz‐like SiO3 framework is maintained better than the corresponding SiO32− motifs. The bonding between M atoms and SiO3 motif is best described as M+ forming a few dative interactions by employing its vacant s, p, and high‐lying d orbitals. These considerable M←SiO3 interactions and Si−O multiple bonding give rise to the highly stable planar hypercoordinate silicon clusters.