bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photophysics of Iridium(III) (2‐phenylpyridine)(2,2’,6,2”‐terpyridine) Chloride Encapsulated within the Zinc(II) Polyhedral MOF, USF‐2
Authors: Mayers Jacob M. , Wojtas Lukasz , Larsen Randy W. 
Published: June 2023

AbstractPhotoactive metal‐organic frameworks (MOFs) provide an important class of functional porous materials for a wide range of applications including light harvesting, photocatalysis and photodynamic therapy. Two strategies have been employed in the development of photoactive MOFs, one in which the photoactive element is incorporated as an element of the framework itself and the other in which the photoactive element serves as a guest within the MOF cavities. Transition metal polyimines have now been non‐covalently incorporated within the cavities of a large number of MOFs with the RuII‐polyimine being the most widely examined guest complex. Previous studies have demonstrated that the nature of the cavity modulates the Ru‐polyimine photophysics. Here, an IrIII(terpyridine)(phenylpyridine)Cl complex has been encapsulated within the Zn‐polyhedral MOF, USF‐2. Unlike the Ru‐polyimines, the excited state photophysics associated with the encapsulated Ir polyimine shows very little change in either the steady state emission and emission lifetime. The slight decrease in emission lifetime is attributed to energy transfer between encapsulated Ir complexes. These results indicate that transition metal polyimines that exhibit excited state structural changes demonstrate the largest perturbations upon confinement.
Kinetic and Product Study of the S‐oxidation vs HAT Chemoselectivity in Reactions Promoted by Nonheme Iron(IV)‐oxo Complex/NHPI Mediator System
Authors: Di Berto Mancini Marika , Bernardini Marianna , Emanuel Birzu Beniamin , De Santis Arianna , Di Stefano Stefano , Frateloreto Federico , Khaksar Daria , Lapi Andrea , Olivo Giorgio , Lanzalunga Osvaldo 
Published: June 2023

AbstractThe chemoselectivity between S‐oxidation and hydrogen atom transfer (HAT) from C−H bonds has been investigated in the oxidations of a series of aryl sulfides, alkyl aromatic compounds and benzylic alcohols promoted by the iron(IV)‐oxo complex [(N4Py)FeIV(O)]2+ (N4Py: N,N‐bis(2‐pyridylmethyl)‐N‐bis(2‐pyridyl)‐methylamine) either alone or in the presence of the N‐hydroxyphthalimide (NHPI) mediator via kinetic and product studies. Kinetic analyses indicate a generally higher reactivity of [(N4Py)FeIV(O)]2+ for S‐oxidation process while HAT is favored in the reactions promoted by phthalimide‐N‐oxyl radical (PINO) deriving from NHPI oxidation. Product analysis in intermolecular competitive oxidations confirms the kinetic results with sulfoxides obtained as major products in the oxidation promoted by [(N4Py)FeIV(O)]2+. Conversely, when NHPI is employed as a mediator, significant differences in terms of chemoselectivity are observed, and HAT‐derived products are obtained in higher yields which translate into an inversion of selectivity in the case of the substrates containing activated C−H bonds like diphenylmethane, triphenylmethane and benzylic alcohols. A similar change of chemoselectivity is also observed in the oxidation of aromatic substrates containing both a sulfur atom and α to OH benzylic C−H bonds, with the sulfoxide product more abundant in the absence of NHPI and carbonyl products prevailing with the [(N4Py)FeIV(O)]2+/NHPI system.
Metal‐Free and NBS‐Mediated Direct Thiol‐Disulfide Exchange Reaction to Access Unsymmetrical Disulfides
Authors: Yang Ke , Hu Qingyue , Li Qin , Liu Junxiang , Li Zheng‐Yi , Li Bijin , Sun Xiaoqiang 
Published: June 2023

AbstractA metal‐free and N‐Bromosuccinimide (NBS)‐mediated direct thiol‐disulfide exchange reaction at room temperature is developed. A variety of unsymmetrical disulfides have been prepared with good to excellent yields. Efficient late‐stage modification of amino acids and drugs demonstrates the utility of this strategy. In addition, easy to operate, broad substrate scope and good functional group tolerance further demonstrate that this reaction provides an essential complementary route to access unsymmetrical disulfides.
Bipolar electrochemical deposition of HKUST‐1 on carbon and its loading with polypyrrole for supercapacitor electrodes
Authors: Patterson Nigel , Ignaszak Anna 
Published: June 2023

AbstractUsing bipolar electrochemistry, carbon paper (CP) is asymmetrically coated with copper metal. Subsequent anodic electrodissolution in a solution containing trimesic acid linkers results in HKUST‐1 depositing on the carbon surface. The CP‐MOF (metal organic framework) composite is then soaked in a pyrrole/isopropanol solution for several hours before undergoing oxygen/Cu‐induced polymerization to fill the pores. Variations in the concentration and soaking time were investigated. X‐ray diffraction shows the successful synthesis of HKUST‐1 before and after pyrrole treatment. Scanning electron microscopy and optical microscopy suggest that the polymer is formed within HKUST‐1 rather than as a coating. Further characterization by Fourier transform infrared, X‐ray photoelectron spectroscopy, gas adsorption, and thermogravimetric analysis/differential thermal analysis were also carried out. Capacitance was found to increase with the concentration of pyrrole used to load HKUST‐1. Higher concentrations also lead to more leaching of copper. Differential pulse voltammetry (DPV), galvanostatic charge discharge, and electrochemical impedance spectroscopy electrochemically studied the redox peaks, capacitance retention, and resistivity of the electrodes.
AOP Report: Aryl Hydrocarbon Receptor Activation Leads to Early–Life Stage Mortality via Sox9 Repression-Induced Craniofacial and Cardiac Malformations
Authors: Shankar Prarthana , Villeneuve Daniel L. 
Published: June 2023

Abstract
The aryl hydrocarbon receptors (Ahrs) are evolutionarily conserved ligand-dependent transcription factors that are activated by structurally diverse endogenous compounds as well as environmental chemicals such as polycyclic aromatic hydrocarbons and halogenated aromatic hydrocarbons. Activation of the Ahr leads to several transcriptional changes that can cause developmental toxicity resulting in mortality. Evidence was assembled and evaluated for two novel adverse outcome pathways (AOPs) which describe how Ahr activation (molecular initiating event) can lead to early–life stage mortality (adverse outcome), via either SOX9-mediated craniofacial malformations (AOP 455) or cardiovascular toxicity (AOP 456). Using a key event relationship (KER)-by-KER approach, we collected evidence using both a narrative search and a systematic review based on detailed search terms. Weight of evidence for each KER was assessed to inform overall confidence of the AOPs. The AOPs link to previous descriptions of Ahr activation and connect them to two novel key events (KEs), increase in slincR expression, a newly characterized long noncoding RNA with regulatory functions, and suppression of SOX9, a critical transcription factor implicated in chondrogenesis and cardiac development. In general, confidence levels for KERs ranged between medium and strong, with few inconsistencies, as well as several opportunities for future research identified. While the majority of KEs have only been demonstrated in zebrafish with 2,3,7,8-tetrachlorodibenzo-p-dioxin as an Ahr activator, evidence suggests that the two AOPs likely apply to most vertebrates and many Ahr-activating chemicals. Addition of the AOPs into the AOP-Wiki (https://aopwiki.org/) helps expand the growing Ahr-related AOP network to 19 individual AOPs, of which six are endorsed or in progress and the remaining 13 relatively underdeveloped. Environ Toxicol Chem 2023;42:2063–2077. © 2023 SETAC. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.
Uptake of Pharmaceuticals by Crops: A Systematic Review and Meta-analysis
Authors: Sleight Harriet , Boxall Alistair B. A. , Toet Sylvia 
Published: June 2023

Abstract
Studies on the uptake of pharmaceuticals from soils into crops were first conducted in the 2000s. Since then a wealth of such data has been generated, but to the best of our knowledge, these studies have not been systematically reviewed. We present a quantitative, systematic review of empirical data on the uptake of pharmaceuticals into crops. We developed a custom-made relational database on plant uptake of pharmaceuticals that contained details of the experimental design and associated results from 150 articles, spanning 173 pharmaceuticals, 78 study crops, and 8048 unique measurements. Analysis of the data in the database showed clear trends in experimental design, with lettuce being the most studied crop and carbamazepine and sulfamethoxazole being the most studied pharmaceuticals. Pharmaceutical properties were found to create the greatest range in uptake concentrations of any single variable studied. Uptake concentrations were also found to vary between crops, with relatively high uptake concentrations identified in cress, lettuce, rice, and courgette crops. An understanding of the influence of soil properties on pharmaceutical uptake was limited by a lack of information on key soil properties across the published literature. The data comparisons were inhibited by differences in quality of the different studies. Moving forward, a framework for best practice in this field is needed to maximize the value and further applications of the data produced. Environ Toxicol Chem 2023;42:2091–2104. © 2023 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Analysis of Selenium in Fish Tissue: An Interlaboratory Study on Weight Constraints
Authors: Ashby Liz J. , Mill Kate E. C. , Arnold Mariah C. , Van Geest Jordana L. , de Bruyn Adrian M. H. 
Published: June 2023

Abstract
Environmental monitoring programs that target fish tissues for selenium (Se) analysis present unique sampling and analytical challenges. Selenium monitoring programs ideally focus on egg/ovary sampling but frequently sample multiple tissues with varying lipid content, often target small-bodied fish species because of their small home ranges, and require reporting in units of dry weight. In addition, there is a growing impetus for nonlethal tissue sampling in fish monitoring. As a result, Se monitoring programs often generate low-weight tissue samples of varying lipid content, which challenges analytical laboratories to quantify tissue Se concentrations accurately, precisely, and at desired detection limits. The objective of the present study was to stress-test some conventional analytical techniques used by commercial laboratories in terms of their ability to maintain data quality objectives (DQOs) in the face of sample weight constraints. Four laboratories analyzed blind a suite of identical samples, and data were compared against a priori DQOs for accuracy, precision, and sensitivity. Data quality tended to decrease with decreasing sample weight, particularly when samples were less than the minimum weights requested by the participating laboratories; however, effects of sample weight on data quality were not consistent among laboratories or tissue types. The present study has implications for accurately describing regulatory compliance in Se monitoring programs, highlighting some important considerations for achieving high data quality from low-weight samples. Environ Toxicol Chem 2023;42:2119–2129. © 2023 SETAC
Does an apple a day keep away diseases? Evidence and mechanism of action
Authors: Zhang Yue , Zeng Miao , Zhang Xiaolu , Yu Qun , Zeng Wenyun , Yu Bin , Gan Jiali , Zhang Shiwu , Jiang Xijuan 
Published: June 2023

AbstractApples and their products exemplify the recently reemphasized link between dietary fruit intake and the alleviation of human disease. Their consumption does indeed improve human health due to their high phytochemical content. To identify potentially relevant articles from clinical trials, some epidemiological studies and meta‐analyses, and in vitro and in vivo studies (cell cultures and animal models), PubMed was searched from January 1, 2012, to May 15, 2022. This review summarized the potential effects of apple and apple products (juices, puree, pomace, dried apples, extracts rich in apple bioactives and single apple bioactives) on health. Apples and apple products have protective effects against cardiovascular diseases, cancer, as well as mild cognitive impairment and promote hair growth, healing of burn wounds, improve the oral environment, prevent niacin‐induced skin flushing, promote the relief of UV‐induced skin pigmentation, and improve the symptoms of atopic dermatitis as well as cedar hay fever among others. These effects are associated with various mechanisms, such as vascular endothelial protection, blood lipids lowering, anti‐inflammatory, antioxidant, antiapoptotic, anti‐invasion, and antimetastatic effects. Meanwhile, it has provided an important reference for the application and development of medicine, nutrition, and other fields.
Within‐network brain connectivity during a social optimism task is related to personal optimism and optimism for in‐group members
Authors: Moser Dominik Andreas , Dricu Mihai , Kotikalapudi Raviteja , Doucet Gaelle Eve , Aue Tatjana 
Published: June 2023

AbstractOptimism bias is the tendency to believe desirable events are more likely to happen than undesirable ones. People often display optimistic biases for themselves (personal optimism), but also for members of groups they like or identify with (social optimism). However, the neural bases of and connections between these two concepts are poorly understood. The present study hence used both questionnaires and a social optimism task performed during magnetic resonance imaging to investigate how network connectivity associates with personal and social optimism biases. Using sparse canonical correlation analysis, we found that a behavioral dimension that included both in‐group optimism bias and personal optimism bias was positively associated with a dimension of network connectivity. This dimension comprised two networks with positive weights (dorsal precuneus‐related default mode network and dorsal sensorimotor network), and three with negative weights (including parts of the salience and central executive networks). Our findings indicate that connectivity in networks adjacent to the temporoparietal junction favors propagation of both personal and social optimism biases. Meanwhile, low connectivity in more frontal networks associated with more complex cognition may also further such propagation.
The effect of aminophylline on the recovery profile after hysterectomy: A randomized controlled double‐blinded study
Authors: Mirsadeghi Misa Naghdipour , Biazar Gelareh , Soltanipour Soheil , Rad Reyhaneh Shahrokhi , Madani Zahra Hamidi , Nikbin Laya 
Published: June 2023

AbstractBackground and AimsIn anesthesia practice, aminophylline is clinically used to treat bronchospasm. However, due to its antagonistic effect on adenosine, studies have recently focused on the drug's ability to enhance the recovery profile. The aim of this study was to investigate the hypothesis that the administration of aminophylline leads to better recovery after general anesthesia in hysterectomy.MethodsThis randomized controlled double‐blinded study, was conducted at Alzahra academic hospital in Guilan, Iran. During December 2022 to March 2023, 70 eligible women scheduled for elective abdominal hysterectomy were divided into two groups. Group A: received 3 mg/kg IV aminophylline diluted in 100 mL of normal saline and Group C: received 100 mL IV normal saline. The time to recovery of consciousness, tracheal extubation and discharge from post anesthesia care unit were recorded. In addition, heart rate, and mean arterial blood pressure were measured at 10 point times including; baseline (T0), immediately before the administration of aminophylline (T1), every 5 min until the end of the surgery(T2,T3,T4,T5,T6), and every 15 min in PACU(T7,T8,T9).ResultsThere was no significant difference in terms of demographic data between the study groups. Comparing the two groups, the time of ROC was shorter in Group A than group C; 5.95 ± 1.12 and 8.5 ± 1.77 for Groups A and C, respectively (p < 0.001). The extubation time was shorter in Group A than group C; 7.79 ± 1.48 and 10.55 ± 3.02, for Groups A and C, respectively (p < 0.001). In addition, the discharge time was also shorter in group A than Group C; 30.17 ± 5.24 and 37.57 ± 4.41 for Groups A and C, respectively (p < 0.001). Not serious side effects were reported among 71.4% of cases in Group A and 51.4% in Group C (p = 0.086).ConclusionAdministration of aminophylline at a dose of 3 mg/kg IV improves the recovery profile after abdominal hysterectomy without serious adverse effects.
A spatiotemporally explicit modeling approach for more realistic exposure and risk assessment of off-field soil organisms
Authors: Schad Thorsten , Bub Sascha , Wang Magnus , Holmes Christopher M. , Kleinmann Joachim , Hammel Klaus , Ernst Gregor , Preuss Thomas G. 
Published: June 2023

Abstract
Natural and seminatural habitats of soil living organisms in cultivated landscapes can be subject to unintended exposure by active substances of plant protection products (PPPs) used in adjacent fields. Spray-drift deposition and runoff are considered major exposure routes into such off-field areas. In this work, we develop a model (xOffFieldSoil) and associated scenarios to estimate exposure of off-field soil habitats. The modular model approach consists of components, each addressing a specific aspect of exposure processes, for example, PPP use, drift deposition, runoff generation and filtering, estimation of soil concentrations. The approach is spatiotemporally explicit and operates at scales ranging from local edge-of-field to large landscapes. The outcome can be aggregated and presented to the risk assessor in a way that addresses the dimensions and scales defined in specific protection goals (SPGs). The approach can be used to assess the effect of mitigation options, for example, field margins, in-field buffers, or drift-reducing technology. The presented provisional scenarios start with a schematic edge-of-field situation and extend to real-world landscapes of up to 5 km × 5 km. A case study was conducted for two active substances of different environmental fate characteristics. Results are presented as a collection of percentiles over time and space, as contour plots, and as maps. The results show that exposure patterns of off-field soil organisms are of a complex nature due to spatial and temporal variabilities combined with landscape structure and event-based processes. Our concepts and analysis demonstrate that more realistic exposure data can be meaningfully consolidated to serve in standard-tier risk assessments. The real-world landscape-scale scenarios indicate risk hot-spots that support the identification of efficient risk mitigation. As a next step, the spatiotemporally explicit exposure data can be directly coupled to ecological effect models (e.g., for earthworms or collembola) to conduct risk assessments at biological entity levels as required by SPGs. Integr Environ Assess Manag 2024;20:263–278. © 2023 Applied Analysis Solutions LLC and WSC Scientific GmbH and Bayer AG and The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC)
Observing and interpreting clinical process: Methods and findings from ‘Layered analysis’ of parent–infant psychotherapy
Authors: Baradon Tessa , Avdi Evrinomy , Sleed Michelle , Salomonsson Björn , Amiran Keren 
Published: June 2023

AbstractThis paper describes a method for investigating clinical process, Layered Analysis, which combines therapist countertransference reports and multi‐faceted microanalytic research approaches. Findings from the application of Layered Analysis to video‐recorded micro‐events of rupture and repair in four psychoanalytic parent–infant psychotherapy sessions are presented. Layered analysis showed that countertransference and observation are complementary perspectives, which enable concomitant study of interactive events, conscious internal experiences, as well as nonconscious and unconscious elements of therapeutic interaction. Interactional rupture and repair were found to constitute co‐constructed micro‐events that occurred fleetingly and often implicitly, and differed in the structure, coherence and flow of interactions and in the relationship between verbal and nonverbal communication. Furthermore, interactional ruptures were found to sometimes ‘get into’ the therapist and transiently disrupt their self‐organization, such that the therapist became a locus of disruption for the patient(s), actively contributing to the rupture, which thus became embedded in the therapeutic system. Interactive repair was found to be most often initiated by the therapist and to be underpinned by the therapist re‐establishing self‐regulation, through metabolizing embodied and verbal aspects of the rupture. Studying such processes can enhance our understanding of clinical process, inform therapist training and clinical supervision, and contribute to clinical outcomes.
Exposure to Multiple Air Pollutants and the Risk of Fractures: A Large Prospective Population-Based Study
Authors: Qi Wenhao , Mei Zhendong , Sun Zhonghan , Lin Chenhao , Lin Jinran , Li Jialin , Ji John S. , Zheng Yan 
Published: June 2023

ABSTRACT
Atmospheric chemistry studies suggest air pollution impedes ultraviolet B photons and thus reduces cutaneous vitamin D3 synthesis. Biological evidence shows that inhaled pollutants disrupt circulating 25-hydroxyvitamin D (25[OH]D) metabolism and ultimately impact bone health. The hypothesis is that higher air pollution concentrations are associated with a higher risk of fractures, mediated by lower circulating 25(OH)D. The study included participants of the UK Biobank who were free of fracture history at enrollment (2006 to 2010) and analyzed their environmental exposure data (2007 to 2010). Air pollution measurements included the annual averages of air particulate matter (PM2.5, PM2.5–10, and PM10), nitrogen oxides (NO2 and NOx), and a composite air pollution score. Multivariable Cox proportional hazard models were used to assess the associations of the individual pollutants and the score with fracture risks. Mediation analyses were conducted to assess the underlying role of serum 25(OH)D in such associations. Among 446,395 participants with a median of 8-year follow-up, 12,288 incident fractures were documented. Participants living in places with the highest quintile of air pollution score had a 15.3% increased risk of fractures (hazard ratio [95%CI]: 1.15[1.09,1.22]) compared to those in the lowest, and 5.49% of this association was mediated through serum 25(OH)D (pmediation &lt; 0.05). Pollutant-specific hazard of top-to-bottom quintiles was 16% for PM2.5, 4% for PM2.5–10, 5% for PM10, 20% for NO2, and 17% for NOx, with a 4% to 6% mediation effect of serum 25(OH)D concentrations. The associations of the air pollution score with fracture risks were weaker among female participants, those who drank less alcohol, and consumed more fresh fruit than their counterparts (pinteraction &lt; 0.05). © 2023 American Society for Bone and Mineral Research (ASBMR).
Abstract