bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of Bifunctional Catalysts for the Cycloaddition of CO2 to Epoxides through an Epoxide‐Driven Strategy
Authors: Kaewsai Suthida , Del Gobbo Silvano , D'Elia Valerio
Published: February 2024

The design of molecular scaffolds bearing multiple functional groups for the activation and ring‐opening of epoxides is a crucial challenge for the synthesis of efficient homogeneous and heterogeneous catalysts that are used for the cycloaddition reaction of CO2 to epoxides. Traditional approaches to prepare such multifunctional catalysts often imply multistep synthetic procedures and expensive building blocks. In this work we show that bifunctional catalysts for the cycloaddition of CO2 to epoxides bearing a Lewis acid metal and a quaternary ammonium halide group can be prepared in just two steps starting from an opportunely designed epoxide precursor by using inexpensive substrates. Such a readily accessible catalyst was applied for the cycloaddition of CO2 to a series of epoxides under atmospheric conditions generally leading to quantitative substrate conversion and high carbonate selectivities. Importantly, we also show that the epoxide‐driven concept developed for the preparation of the molecular catalyst, could be applied to prepare recyclable heterogeneous systems for the target cycloaddition reaction.
Tuning synergy between nickel and iron in Ruddlesden–Popper perovskites through controllable crystal dimensionalities towards enhanced oxygen‐evolving activity and stability
Authors: Zhang Haijuan , Guan Daqin , Gu Yuxing , Xu Hengyue , Wang Chunchang , Shao Zongping , Guo Youmin
Published: February 2024

Ni–Fe‐based oxides are among the most promising catalysts developed to date for the bottleneck oxygen evolution reaction (OER) in water electrolysis. However, understanding and mastering the synergy of Ni and Fe remain challenging. Herein, we report that the synergy between Ni and Fe can be tailored by crystal dimensionality of Ni, Fe‐contained Ruddlesden–Popper (RP)‐type perovskites (La0.125Sr0.875)n+1(Ni0.25Fe0.75)nO3n+1 (n = 1, 2, 3), where the material with n = 3 shows the best OER performance in alkaline media. Soft X‐ray absorption spectroscopy spectra before and after OER reveal that the material with n = 3 shows enhanced Ni/Fe–O covalency to boost the electron transfer as compared to those with n = 1 and n = 2. Further experimental investigations demonstrate that the Fe ion is the active site and the Ni ion is the stable site in this system, where such unique synergy reaches the optimum at n = 3. Besides, as n increases, the proportion of unstable rock‐salt layers accordingly decreases and the leaching of ions (especially Sr2+) into the electrolyte is suppressed, which induces a decrease in the leaching of active Fe ions, ultimately leading to enhanced stability. This work provides a new avenue for rational catalyst design through the dimensional strategy.
Self‐supported VO2 on polydopamine‐derived pyroprotein‐based fibers for ultrastable and flexible aqueous zinc‐ion batteries
Authors: Yeon Jeong Seok , Park Sul Ki , Kim Shinik , Mohite Santosh V. , Il Kim Won , Jang Gun , Jang Hyun‐Seok , Bae Jiyoung , Lee Sang Moon , Hong Won G. , Kim Byung Hoon , Kim Yeonho , Park Ho Seok
Published: February 2024

A conventional electrode composite for rechargeable zinc‐ion batteries (ZIBs) includes a binder for strong adhesion between the electrode material and the current collector. However, the introduction of a binder leads to electrochemical inactivity and low electrical conductivity, resulting in the decay of the capacity and a low rate capability. We present a binder‐ and conducting agent‐free VO2 composite electrode using in situ polymerization of dopamine on a flexible current collector of pyroprotein‐based fibers. The as‐fabricated composite electrode was used as a substrate for the direct growth of VO2 as a self‐supported form on polydopamine‐derived pyroprotein‐based fibers (pp‐fibers@VO2(B)). It has a high conductivity and flexible nature as a current collector and moderate binding without conventional binders and conducting agents for the VO2(B) cathode. In addition, their electrochemical mechanism was elucidated. Their energy storage is induced by Zn2+/H+ coinsertion during discharging, which can be confirmed by the lattice expansion, the formation of by‐products including Znx(OTf)y(OH)2x−y·nH2O, and the reduction of V4+ to V3+. Furthermore, the assembled Zn//pp‐fibers@VO2(B) pouch cells have excellent flexibility and stable electrochemical performance under various bending states, showing application possibilities for portable and wearable power sources.
Gaucher Disease: A Glance from a Medicinal Chemistry Perspective
Authors: Prencipe Filippo , Barzan Chiara , Savian Chiara , Spalluto Giampiero , Carosati Emanuele , De Amici Marco , Mosconi Giorgio , Gianferrara Teresa , Federico Stephanie , Da Ros Tatiana
Published: February 2024

Rare diseases are particular pathological conditions affecting a limited number of people and few drugs are known to be effective as therapeutic treatment. Gaucher disease, caused by a deficiency of the lysosomal enzyme glucocerebrosidase, belongs to this class of disorders, and it is considered the most common among the Lysosomal Storage Diseases. The two main therapeutic approaches are the Enzyme Replacement Therapy (ERT) and the Substrate Reduction Therapy (SRT). ERT, consisting in replacing the defective enzyme by administering a recombinant enzyme, is effective in alleviating the visceral symptoms, hallmarks of the most common subtype of the disease whereas it has no effects when symptoms involve CNS, since the recombinant protein is unable to significantly cross the Blood Brain Barrier. The SRT strategy involves inhibiting glucosylceramide synthase (GCS), the enzyme responsible for the production of the associated storage molecule. The rational design of new inhibitors of GCS has been hampered by the lack of either the crystal structure of the enzyme or an in‐silico model of the active site which could provide important information regarding the interactions of potential inhibitors with the target, but, despite this, interesting results have been obtained and are herein reviewed.
Current Small Molecule–Based Medicinal Chemistry Approaches for Neurodegeneration Therapeutics
Authors: Sanghai Nitesh , Vuong Billy , Burak Berk Ahmet , Afridi Muhammad Shaharyar K. , Tranmer Geoffrey K.
Published: February 2024

Neurodegenerative diseases (NDDs) like Alzheimer's disease (AD), Parkinson's disease (PD), and Amyotrophic lateral sclerosis (ALS) possess multifactorial aetiologies. In recent years, our understanding of the biochemical and molecular pathways across NDDs has increased, however, new advances in small molecule–based therapeutic strategies targeting NDDs are obscure and scarce. Moreover, NDDs have been studied for more than five decades, however, there is a paucity of drugs that can treat NDDs. Further, the highly lipoidal blood–brain barrier (BBB) limits the uptake of many therapeutic molecules into the brain and is a complicating factor in the development of new agents to treat neurodegeneration. Considering the highly complex nature of NDDs, the association of multiple risk factors, and the challenges to overcome the BBB junction, medicinal chemists have developed small organic molecule–based novel approaches to target NDDs over the last few decades, such as designing lipophilic molecules and applying prodrug strategies. Attempts have been made to utilize a multitarget approach to modulate different biochemical molecular pathways involved in NDDs, in addition to, medicinal chemists making better decisions in identifying optimized drug candidates for the central nervous system (CNS) by using web–based computational tools. To increase the clinical success of these drug candidates, an in vitro assay modeling the BBB has been utilized by medicinal chemists in the pre–clinical phase as a further screening measure of small organic molecules. Herein, we examine some of the intriguing strategies taken by medicinal chemists to design small organic molecules to combat NDDs, with the intention of increasing our awareness of neurodegenerative therapeutics.
Oligodeoxynucleotide Synthesis Under Non‐Nucleophilic Deprotection Conditions
Authors: Fang Shiyue , Chillar Komal , Yin Yipeng , Apostle Alexander , Eriyagama Dhananjani N. A. M. , Shahsavari Shahien , Halami Bhaskar , Yuan Yinan
Published: February 2024

This protocol describes a method for the incorporation of sensitive functional groups into oligodeoxynucleotides (ODNs). The nucleophile‐sensitive epigenetic N4‐acetyldeoxycytosine (4acC) DNA modification is used as an example, but other sensitive groups can also be incorporated, e.g., alkyl halide, α‐haloamide, alkyl ester, aryl ester, thioester, and chloropurine groups, all of which are unstable under the basic and nucleophilic deprotection and cleavage conditions used in standard ODN synthesis methods. The method uses a 1,3‐dithian‐2‐yl‐methoxycarbonyl (Dmoc) group that carries a methyl group at the carbon of the methoxy moiety (meDmoc) for the protection of exo‐amines of nucleobases. The growing ODN is anchored to a solid support via a Dmoc linker. With these protecting and linking strategies, ODN deprotection and cleavage are achieved without using any strong bases and nucleophiles. Instead, they can be carried out under nearly neutral non‐nucleophilic oxidative conditions. To increase the length of ODNs that can be synthesized using the meDmoc method, the protocol also describes the synthesis of a PEGylated Dmoc (pDmoc) phosphoramidite. With some of the nucleotides being incorporated with pDmoc‐CE phosphoramidite, the growing ODN on the solid support carries PEG moieties and becomes more soluble, thus enabling longer ODN synthesis. The ODN synthesis method described in this protocol is expected to make many sensitive ODNs that are difficult to synthesize accessible to researchers in multiple areas, such as epigenetics, nanopore sequencing, nucleic acid‐protein interactions, antisense drug development, DNA alkylation carcinogenesis, and DNA nanotechnology. © 2024 Wiley Periodicals LLC.

Basic Protocol: Sensitive ODN synthesis

Support Protocol 1: Synthesis of meDmoc‐CE phosphoramidites

Support Protocol 2: Synthesis of a pDmoc‐CE phosphoramidite
Offloading and adherence through technological advancements: Modern approaches for better foot care in diabetes
Authors: Bus Sicco A. , Reeves Neil D. , Armstrong David G. , Najafi Bijan
Published: February 2024

Objective

This manuscript aims to provide a review and synthesis of contemporary advancements in footwear, sensor technology for remote monitoring, and digital health, with a focus on improving offloading and measuring and enhancing adherence to offloading in diabetic foot care.

Methods

A narrative literature review was conducted by sourcing peer‐reviewed articles, clinical studies, and technological innovations. This paper includes a review of various strategies, from specifically designed footwear, smart insoles and boots to using digital health interventions, which aim to offload plantar pressure and help prevent and manage wounds more effectively by improving the adherence to such offloading.

Results

In‐house specially made footwear, sensor technologies remotely measuring pressure and weight‐bearing activity, exemplified for example, through applications like smart insoles and SmartBoot, and other digital health technologies, show promise in improving offloading and changing patient behaviour towards improving adherence to offloading and facilitating personalised care. This paper introduces the concept of gamification and emotive visual indicators as novel methods to enhance patient engagement. It further discusses the transformative role of digital health technologies in the modern era.

Conclusions

The integration of technology with footwear and offloading devices offers unparallelled opportunities for improving diabetic foot disease management not only through better offloading but also through improved adherence to offloading. These advancements allow healthcare providers to personalise treatment plans more effectively, thereby promising a major improvement in patient outcomes in diabetic foot ulcer healing and prevention.
Temporal variations of the multifaceted biodiversity and assembly mechanisms in lake fish assemblages
Authors: Liang Zhice , Guo Chuanbo , Gozlan Rodolphe Elie , Park Young‐Seuk , Wen Feng , Kuang Chenyi , Ma Yuxing , Liu Jiashou , Jackson Donald A.
Published: February 2024

Understanding long‐term changes in fish diversity and community assembly rules is crucial for freshwater conservation. Growing evidence indicates that studying functional and phylogenetic diversity beyond purely taxonomic considerations can provide different but complementary information on community assembly. Here, the taxonomic, functional, and phylogenetic β‐diversity of fish communities, as well as the community assembly mechanisms, were explored in five impounded lakes of the China's South‐to‐North Water Diversion Project (SNWDP) from the 1980s to the 2010s. We found that (1) there was an obvious trend of species homogenization in the five impounded lakes, but the long‐term transformations of different dimensional β‐diversity were divergent; (2) water quality and land use variables have greater impacts on multidimensional β‐diversity; and (3) community assembly process in taxonomic and functional dimensions were dominated by random process in both periods, while shifting from limiting similarity to habitat filtering in the phylogenetic dimension. These results highlight that functional and phylogenetic diversity are important additional ecological indices for assessing the patterns of fish diversity in lakes.
Stir‐cast Al2024‐based composite reinforced with boron carbide and graphene particles: Mechanical and dry sliding wear characteristics
Authors: Vinod Kumar R. , Reddappa H. N. , Chandrashekar A. , Paruti Basavaraju
Published: February 2024

Because of its improved formability, lower production costs, and mechanical properties, aluminum metal matrix composite is the highly intriguing engineering material. It can meet the needs of modern engineering applications used in the automotive, military, aerospace, and marine industries. Hybridization of reinforcement is adopted to develop tailor‐made properties of composites for specific application. In this study, Al‐B4C‐Gr hybrid composites were produced with varying graphene content (0.25, 0.50, 0.75, and 1 wt.%) and keeping boron carbide (10 wt.%) as constant, the effect of graphene proportion on the mechanical properties of produced composites was evaluated. It has been observed that increasing the Gr reinforcement particles in the synthesized composites improves the mechanical characteristics of the composites, such as raising the tensile strength to 215 Mpa and the hardness to 110 HV due to the presence and proper distribution of reinforcement in the matrix. When compared to the base alloy, the tensile strength and hardness of Al10B4C0.75Gr composites rose by 27.174% and 67.290%, respectively. The dry sliding wear behavior of Al‐10 wt.% B4C‐wt.%Gr hybrid composites confirms that graphene and B4C particles in the matrix increase the wear resistance of the produced MMCs. The each parameter such as sliding distance, sliding velocity and load has its influence toward the better wear resistance of the developed composites and were discussed.
Improved Thermal Management of Lithium‐Ion Battery Module through Microtexturing of Serpentine Cooling Channels
Authors: Dubey Dwijendra , Mishra Ashutosh , Shriyan Hithesh Chandrakant , Pratap Tej , Pandey Ramesh
Published: February 2024

Elevated battery temperature and its heterogeneity are responsible for many battery‐related problems such as short lifespan and thermal runaway. For longer life and safe functionality of lithium‐ion battery (LIB), both the average battery temperature and temperature heterogeneity must be controlled. The present work analyzes a modified cooling channel design that can control both the average battery temperature and its heterogeneity. The design adopts microtexturing approach for the heat transfer augmentation of the serpentine cooling channels. First, the transient thermal analysis of different geometry of microtextures, viz., microchannels (MCs) and microdimples (MDs), is carried out on an aluminum slab. The rectangular MCs and square MDs are found to be the most efficient among the other considered microtexture geometries. Further, the modified design is employed for a 19‐cell battery pack to analyze the thermal performance, pressure drop, and coolant pump power requirements. A decrease in maximum temperature difference (MTD) by 6.03 % and 3.72% is observed for 380 MCs (rectangular) and 960 MDs (squared), respectively. While MDs improve the temperature homogeneity within the LIBs, the coolant pump power requirement and pressure drop (by ≈15.42%) are higher for it compared to the MC‐based design for a given MTD.
An ADO‐OFDM with integrated precoding, companding and optimized power allocation methods for high‐speed data transmission in visible light communication
Authors: S. Swaminathan , N. R. Raajan
Published: February 2024

Visible light communications (VLC) has received a lot of attention in recent studies because of its benefits over radio‐frequency (RF) communications. It is a short‐range optical wireless communication system that uses light‐emitting diodes (LEDs) as transmitters. Optical orthogonal frequency division multiplexing (OFDM) is an auspicious technology for VLC high‐speed data transfer. The use of OFDM in a VLC system raises the system's peak‐to‐average power ratio (PAPR). The intrinsic non‐linearity of LED is a key concern in an asymmetrically clipped DC‐biased optical OFDM (ADO‐OFDM) system due to its high PAPR. Also, conventional ADO‐OFDM modulation scheme cannot be used for accommodating different demands of services in downlink multiple access due to the restriction of direct current biased optical OFDM (DCO‐OFDM) and asymmetrically clipped optical (ACO‐OFDM) transmission on odd and even subcarriers. To tackle this issue, a modified ADO‐OFDM (MADO‐OFDM) is proposed that adjusts the numbers of subcarriers required for the transmission of ACO‐OFDM and DCO‐OFDM adaptively based on the requests of services in downlink multiple access. Also, the proposed MADO‐OFDM is integrated with a discrete Hartley Matrix transform (DisHMT) precoder and Generalized Piecewise Linear Compander (GPLD) to provide high‐speed data transmission with less PAPR. In addition, the power is allocated to the proposed MADO‐OFDM system optimally by maximizing the channel capacity based on the Aquila optimizer algorithm. The simulation results reveal that the suggested system's PAPR is reduced by 2.4 dB and 0.8 dB, respectively, compared to conventional ADO and hybrid ADO‐OFDM. It also confirms that the suggested generalized PLC can greatly increase BER without affecting the PAPR performance.
Acrylamide in food products: Formation, technological strategies for mitigation, and future outlook
Authors: Pandiselvam Ravi , Süfer Özge , Özaslan Zeynep Tuğba , Gowda NA Nanje , Pulivarthi Manoj Kumar , Charles Anto Pradeep Raja , Ramesh Bharathi , Ramniwas Seema , Rustagi Sarvesh , Jafari Zahra , Jeevarathinam G.
Published: February 2024

This review examines various methods of reducing acrylamide levels in processed foods, focusing on thermal and nonthermal methods. Acrylamide, which is mainly formed by the Maillard reaction, poses a health risk and therefore requires the implementation of successful mitigation strategies. The processes by which acrylamide is formed, particularly at temperatures above 120°C, such as frying, roasting, and cooking (however, the practical temperature in the inner of foods does not exceed 120°C), serve as a basis for understanding intervention methods. The effectiveness of thermal technologies, including optimization of time and temperature as well as pretreatment and posttreatment techniques, will be studied in detail. In addition, vacuum‐based technologies such as baking, predrying, frying, deep‐frying, and impregnation are examined to shed light on their underlying mechanisms. Advanced thermal techniques such as microwaves and irradiation will be investigated to evaluate their effectiveness in reducing acrylamide. Furthermore, nonthermal methods, including pulsed electric fields, ultrasound treatments, and novel combinations such as pulsed electric fields and blanching, are being investigated. Various enzymatic interventions with asparaginase and glucose oxidase as well as yeast treatments and fermentations offer a wide range of intervention possibilities. The use of additives/coatings and plant extracts, such as edible coatings, polyphenols, and specific ingredient formulations, has shown promise for acrylamide reduction. This paper highlights the commercial implications, future prospects, and barriers to implementation of these methods. By examining different approaches, this comprehensive analysis emphasizes the importance of using different strategies to successfully reduce acrylamide levels in processed foods and provides guidance to the food industry to improve product safety and quality.
Effective Communication of Energy Science and Technology
Authors: Engel‐Cox Jill , Jeromin Kerrin
Published: February 2024

Although research, development, and deployment of advanced energy technologies are essential for the clean energy transition, communication about these technologies is equally important to their success. Energy is part of everyday life; therefore, changes in energy systems should be accepted by communities and industries. Yet details about energy generation, transmission, and environmental impacts are complex. The combination of commonality and complexity requires communications to use visualization, localization, narrative, and understandable terminology to reach a range of stakeholders. Collaboration between technology experts and communications professionals builds integrity and accessibility of energy information that enables community‐based solutions for energy.
Application of joint commission international standard combined with 6S management mode in the management of emergency medical equipment
Authors: He Jing , Cang Yanhong , Wei Chunhong , Wang Hui , Xu Yan , Han Yan
Published: February 2024

Objective

The medical instruments used in the emergency department have a wide coverage and prominent importance. The study was aimed to observe the effect of joint commission international (JCI) standard combined with 6S management mode in emergency medical equipment.

Methods

Medical equipment and nursing staff in the emergency department of our hospital were the subjects of the research. We compared the management status (standard placement, good cleaning, good maintenance, complete records) of medical equipment after the application of JCI standard combined with 6S management mode was compared with that before the application. Working time associated with medical equipment, equipment repair ratio, nurses' satisfaction with medical equipment use and management were also compared.

Results

After the application of JCI standard combined with 6S management mode, the proportion of instances meeting standards for placement, cleaning, maintenance, and record‐keeping was higher than before the application (p < 0.05), the time of instrument acquisition was significantly lower than before the application (p < 0.001), the proportion of instrument repair was lower than before application (p < 0.05), and the proportion of nurses satisfied with the use and management of the instrument was higher than before (p < 0.05). There was no statistical difference in instrument cleaning time, instrument maintenance time and environmental management time after the application of JCI standard combined with 6S management mode compared with before application (p > 0.05).

Conclusion

JCI standard combined with 6S management mode can standardize the use of emergency medical instruments, reduce the risk of instrument damage, increase work efficiency, improve nurses' satisfaction with medical instrument management, and are therefore worthy of clinical application.
How receptor tyrosine kinase‐like orphan receptor 1 meets its partners in chronic lymphocytic leukemia
Authors: Mouawad Nayla , Ruggeri Edoardo , Capasso Guido , Martinello Leonardo , Visentin Andrea , Frezzato Federica , Trentin Livio
Published: February 2024

Chronic lymphocytic leukemia (CLL) is the most common leukemia in western societies, recognized by clinical and molecular heterogeneity. Despite the success of targeted therapies, acquired resistance remains a challenge for relapsed and refractory CLL, as a consequence of mutations in the target or the upregulation of other survival pathways leading to the progression of the disease. Research on proteins that can trigger such pathways may define novel therapies for a successful outcome in CLL such as the receptor tyrosine kinase‐like orphan receptor 1 (ROR1). ROR1 is a signaling receptor for Wnt5a, with an important role during embryogenesis. The aberrant expression on CLL cells and several types of tumors, is involved in cell proliferation, survival, migration as well as drug resistance. Antibody‐based immunotherapies and small‐molecule compounds emerged to target ROR1 in preclinical and clinical studies. Efforts have been made to identify new prognostic markers having predictive value to refine and increase the detection and management of CLL. ROR1 can be considered as an attractive target for CLL diagnosis, prognosis, and treatment. It can be clinically effective alone and/or in combination with current approved agents. In this review, we summarize the scientific achievements in targeting ROR1 for CLL diagnosis, prognosis, and treatment.
From humanitarian crisis to employment crisis: The lives and livelihoods of South Sudanese refugee health workers in Uganda
Authors: Palmer Jennifer , Sokiri Stephen , Char Jacob Nhial Bol , Vivian Amuna , Ferris Denise , Venner Georgia , Dak John Jal
Published: February 2024

Despite the many benefits of refugee health workers for health systems, they commonly face challenges integrating into host country workforces. The Global Code of Practice on International Recruitment of Health Personnel, which should monitor and protect migrant health workers, offers little guidance for refugees and research is needed to inform strategy. Based on interviews with 34 refugee health workers and 10 leaders across two settlements supporting populations fleeing the humanitarian crisis in South Sudan since 2013, we describe the governance and social dynamics affecting South Sudanese refugee health worker employment in Uganda. Refugees in Uganda legally have the right to work but face an employment crisis. Refugee health workers report that systemic discrimination, competition from underemployed domestic workers, unclear work permit rules and expensive credentialling processes exclude them from meaningful work in public health facilities and good jobs in the humanitarian response. This pushes them into unchallenging roles in private clinics, poorly remunerated positions on village health teams or out of the health sector altogether. Health system strengthening initiatives in Uganda to integrate humanitarian and government services and to deter the domestic workforce from emigration have overlooked the potential contributions of refugee health workers and the employment crisis they face. More effort is needed to increase fairness in public sector recruitment practices for refugee health workers, support credentialling, training opportunities for professional and non‐professional cadres, job placements, and to draw attention to the public benefits of refugee health worker employment alongside higher spending on human resources for health.
An introduction to Criteria for Reporting and Evaluating Exposure Datasets (CREED) for use in environmental assessments
Authors: Merrington Graham , Nowell Lisa H. , Peck Charles
Published: February 2024

Risks posed by environmental exposure to chemicals are routinely assessed to inform activities ranging from environmental status reporting to authorization and registration of chemicals for commercial uses. Environmental risk assessment generally relies on two key values generated from exposure data and ecotoxicity data. Data sets of measured concentrations of chemicals in environmental matrices, referred to here as exposure data, are widely used to support environmental risk management, decision-making, and reporting, such as for chemical screening, ecological or human health risk assessments, and establishment of guidelines. Practitioners have developed schemes to determine the suitability of ecotoxicity data for specific purposes, focused on evaluating reliability and relevance, but analogous schemes are not available for exposure data. Moreover, regulatory guidance arguably provides less resolution on reporting and evaluating exposure data sets compared to ecotoxicity data. The evaluation of exposure data sets is subject to limitations from variable or unreported data quality objectives and/or from differences in expert judgments, potentially introducing bias and leading to decisions based on flawed and/or inconsistent information. Exposure data sets should be evaluated for reliability and relevance prior to use in environmental assessments. This paper is the first of a four-paper series detailing the outcomes of a Society of Environmental Toxicology and Chemistry technical workshop that has developed Criteria for Reporting and Evaluating Exposure Datasets (CREED). The workshop participants developed practical, systematic criteria for consistent and transparent evaluation of the reliability (quality) and relevance (fitness for purpose) of exposure data. This guidance should apply to many different (unspecified) purposes of assessment. CREED can be used to evaluate existing data sets, but can also inform data generators interested in improving their data collection and reporting to maximize data utility to other users. This first paper details existing frameworks for the evaluation of exposure data sets and demonstrates the need for CREED, drawing from different regulatory assessments, and describes the technical workshop. Integr Environ Assess Manag 2024;20:975–980. © 2024 SETAC

Key Points

Frameworks for the evaluation reliability (quality) and relevance (fitness for purpose) of exposure data are not as well developed as frameworks for evaluating reliability and relevance. Not all exposure data are fit for all purposes, including secondary applications beyond the original intent. CREED provide a consistent, transparent, and practical approach for ensuring exposure data quality and fitness for purpose. CREED serve as guidance for data users, data generators, and database owners.
Effects of water quality on palladium-induced olfactory toxicity and bioaccumulation in rainbow trout (Oncorhynchus mykiss)
Authors: Simonis Carolyn , Zink Lauren , Johnston Sarah E. , Bogard Matthew , Pyle Gregory G.
Published: February 2024

Through emission processes, palladium (Pd) particulates from industrial sources are introduced into a range of ecosystems including freshwater environments. Despite this, research on Pd-induced bioaccumulation, uptake, and toxicity is limited for freshwater fishes. Unlike other metals, there are currently no regulations or protective guidelines to limit Pd release into aquatic systems, indicating a global absence of measures addressing its environmental impact. To assess the olfactory toxicity potential of Pd, the present study aimed to explore Pd accumulation in olfactory tissues, olfactory disruption, and oxidative stress in rainbow trout (Oncorhynchus mykiss) following waterborne Pd exposure. Olfactory sensitivity, measured by electro-olfactography, demonstrated that Pd inhibits multiple pathways of the olfactory system following 96 h of Pd exposure. In this study, the concentrations of Pd for inhibition of olfactory function by 20% (2.5 μg/L; IC20) and 50% (19 μg/L; IC50) were established. Rainbow trout were then exposed to IC20 and IC50 Pd concentrations in combination with varying exposure conditions, as changes in water quality alter the toxicity of metals. Independent to Pd, increased water hardness resulted in decreased olfactory perception owing to ion competition at the olfactory epithelium. No other environmental parameter in this study significantly influenced Pd-induced olfactory toxicity. Membrane-associated Pd was measured at the olfactory rosette and gill following exposure; however, this accumulation did not translate to oxidative stress as measured by the production of malondialdehyde. Our data suggest that Pd is toxic to rainbow trout via waterborne contamination near field-measured levels. This study further demonstrated Pd bioavailability and uptake at water-adjacent tissues, adding to our collective understanding of the toxicological profile of Pd. Taken together, our results provide novel insights into the olfactory toxicity in fish following Pd exposure. Integr Environ Assess Manag 2024;20:1407–1419. © 2024 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

Key Points

Palladium (Pd) inhibits multiple fish olfaction pathways.

Shifts in water quality did not alter Pd olfactory inhibition.
Effectiveness and continuation rates of the etonogestrel‐subdermal contraceptive implant versus short‐acting contraceptive methods offered at no cost in Campinas, Brazil
Authors: Laporte Montas , Marcelino Ana C. , da Cunha Pereira Paula , Espejo‐Arce Ximena , Juliato Cassia T. , Bahamondes Luis
Published: February 2024

Objectives

To compare the efficacy, reasons for discontinuation and continuation rates of the etonogestrel (ENG)‐subdermal contraceptive implant when offered at no cost, and the basis of free choice versus short‐acting reversible contraceptive (SARC) methods including combined oral contraceptives (COCs), once‐a‐month injectables, vaginal ring, and patch.

Methods

We conducted a prospective study at the University of Campinas, Brazil, involving women aged 18 to 40 years. They were counseled on various contraceptive methods before entering the study and followed up every 3 months for up to 24 months. Satisfaction was assessed using a Likert scale. Survival rates were estimated using the Kaplan–Meier test, and curve comparisons were performed using the log‐rank test.

Results

We enrolled 609 women including 358/609 women (58.8%) who chose the ENG‐implant and 251/609 (41.2%) who chose SARC methods. Contraceptive failure and all other reasons for discontinuation were significantly higher in SARC users compared to the ENG‐implant users (P < 0.001 and P = 0.002, respectively). The continuation rate was higher among ENG‐implant users (89.9% and 75.4%) compared to SARC methods users (27.2% and 15.9%) up to 1 and 2 years after study initiation, respectively. Satisfaction was high in both groups (>82%).

Conclusions

The ENG‐implant showed higher contraceptive effectiveness and higher continuation rates than SARC methods up to 2 years after study initiation. Furthermore, users from both groups were highly satisfied with their contraceptive. The main reason for discontinuing use of the ENG‐implant was bothersome uterine bleeding, while for SARC methods it was for personal reasons.
Solid organ transplant residency research publication rates and characteristics associated with successful publication
Authors: Melaragno Jennifer I. , Kovac Danielle , Witek Stephanie , Harris Matt , Khalil Karen , Laub Melissa R. , Quan David , Lichvar Alicia B.
Published: February 2024

Introduction

Publication rates, characterization, and assessment for predictors of publication in post‐graduate year 2 (PGY2) solid organ transplant (SOT) are lacking.

Objectives

This study was conducted to determine the publication rate of PGY2 SOT pharmacy resident projects, understand practices surrounding resident research, and assess characteristics of published manuscripts.

Methods

An electronic survey of PGY2 SOT residency programs was distributed. Invitation for participation was sent by email to residency program directors (RPDs), and information related to the PGY2 SOT program, RPDs, research mentors/preceptors, residents, and each research project was gathered for residents graduating between 2016 and 2019. Characteristics influencing publication success were assessed with multivariate logistic regression modeling.

Results

Thirty‐eight RPD responses were analyzed (67.8% response rate). All PGY2 SOT programs were American Society of Health‐System Pharmacists (ASHP) accredited, 92% were at academic medical centers, and more than 80% were active over 6 years with a median of 10 (interquartile range [IQR] 5–13) graduated residents. In total, 35/97 (36.1%) of SOT PGY2 research projects were published, 22.7% intend to submit or have a manuscript under revision, and 39.2% will not pursue publication. Of published projects, 81% were in medical journals. Median impact factor was 2.9 (IQR 1.5–2.9). Programs active more than 10 years (odds ratio [OR] 4.0, 95% confidence interval [CI] 1.41–11.17, p = 0.009) and utilization of additional resources (OR 4.2, 95% CI 1.23–14.37, p = 0.022), including availability of a biostatistician/epidemiologist or pharmacy student, were independently predictive of publication. Fifty percent of RPDs rated their programs as either “effective” or “extremely effective” in enabling publication. Perceived barriers to publication, most often continuity of PGY2 SOT involvement after residency, were identified.

Conclusion

Overall, 36.1% of PGY2 SOT pharmacy resident research projects achieved publication over a 4‐year period at the time of the survey. Years of PGY2 SOT program activity and having additional resources were independently associated with publication.
In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches
Authors: Zhou Yiqing , Wang Ze , Huang Zejun , Li Weihua , Chen Yuanting , Yu Xinxin , Tang Yun , Liu Guixia
Published: February 2024

The accurate identification of chemicals with ocular toxicity is of paramount importance in health hazard assessment. In contemporary chemical toxicology, there is a growing emphasis on refining, reducing, and replacing animal testing in safety evaluations. Therefore, the development of robust computational tools is crucial for regulatory applications. The performance of predictive models is heavily reliant on the quality and quantity of data. In this investigation, we amalgamated the most extensive dataset (4901 compounds) sourced from governmental GHS‐compliant databases and literature to develop binary classification models of chemical ocular toxicity. We employed 12 molecular representations in conjunction with six machine learning algorithms and two deep learning algorithms to create a series of binary classification models. The findings indicated that the deep learning method GCN outperformed the machine learning models in cross‐validation, achieving an impressive AUC of 0.915. However, the top‐performing machine learning model (RF‐Descriptor) demonstrated excellent performance with an AUC of 0.869 on the test set and was therefore selected as the best model. To enhance model interpretability, we conducted the SHAP method and attention weights analysis. The two approaches offered visual depictions of the relevance of key descriptors and substructures in predicting ocular toxicity of chemicals. Thus, we successfully struck a delicate balance between data quality and model interpretability, rendering our model valuable for predicting and comprehending potential ocular‐toxic compounds in the early stages of drug discovery.
Protective effect of diindolylmethane‐enriched dietary cabbage against doxorubicin‐induced cardiotoxicity in mice
Authors: Natesh Jagadish , Mondal Priya , Penta Dhanamjai , Mukhlis Yahya , Haware Devendra Jaganath , Meeran Syed Musthapa
Published: February 2024

Chemotherapy with doxorubicin (Dox) can lead to cardiotoxic effects, presenting a major complication in cancer therapy. Diindolylmethane (DIM), derived from cruciferous vegetables like cabbage, exhibits numerous health benefits. However, its clinical application is limited because of low bioavailability and suboptimal natural concentrations in dietary sources. To address this limitation, we developed a processing methodology, specifically fermentation and boiling, to enhance DIM levels in cabbage. High‐performance liquid chromatography (HPLC) analysis revealed a threefold DIM increase in fermented cabbage and a substantial ninefold increase in fermented‐boiled cabbage compared to raw cabbage. To evaluate the clinical implications, we formulated a DIM‐enriched diet and administered it to mice undergoing Dox treatment. Our in vivo results revealed that Dox treatment led to cardiotoxicity, manifested by changes in body and heart weight, increased mortality, and severe myocardial tissue degeneration. Dietary administration of the DIM‐enriched diet enhanced antioxidant defenses and inhibited apoptosis in the cardiac tissue by interfering with mitoptosis and increasing antioxidant enzyme expression. Interestingly, we found that the DIM‐enriched diet inhibited the nuclear translocation of NF‐kB in cardiac tissue, thereby downregulating the expression of inflammatory mediators such as TNF‐α and IL‐6. Further, the DIM‐enriched diet significantly reduced serum cardiac injury markers elevated by Dox treatment. These results suggest that the DIM‐enriched cabbage diet can serve as a complementary dietary intervention for cancer patients undergoing chemotherapy. Further, our research highlights the role of plant‐based diets in reducing treatment side effects and improving the quality of life for cancer patients.
Subjective evaluation of home environment and levels of self‐reported depression in middle to old age: Results from the HCHS study
Authors: Ascone Leonie , Mascherek Anna , Weber Sandra , Fischer Djo , Augustin Jobst , Cheng Bastian , Thomalla Götz , Augustin Matthias , Zyriax Birgit‐Christiane , Gallinat Jürgen , Kühn Simone
Published: February 2024

Objectives

The immediate living environment might, like other lifestyle factors, be significantly related to mental well‐being. The current study addresses the question whether five relevant subjective home environment variables (i.e., protection from disturbing nightlight, daylight entering the home, safety at home, quality of window views, and noise disturbance) are associated with levels of self‐reported depression over and above well‐known sociodemographic and common lifestyle variables.

Methods

Data from the Hamburg City Health Study (HCHS) were analyzed. In N = 8757 with available PHQ‐9 depression data, multiple linear regression models were computed, with demographic data, lifestyle variables, and variables describing the subjective evaluation of the home environment.

Results

The model explained 15% of variance in depression levels, with ratings for the subjective evaluation of home environment accounting for 6%. Better protection from disturbing light at night, more daylight entering the home, feeling safer, and perceived quality of the window views, were all significantly associated with lower, while more annoyance by noise was associated with higher levels of self‐reported depression. Results did not differ if examining a sample of the youngest (middle‐aged participants: 46−50 years) versus oldest (70−78 years) participants within HCHS.

Conclusion

Beyond studying the role of lifestyle factors related to self‐reported depression, people's homes may be important for subclinical levels of depression in middle and older age, albeit the direction of effects or causality cannot be inferred from the present study. The development of a consensus and tools for a standardized home environment assessment is needed.
Assessment of salt tolerance in phytodesalination candidates: Two varieties of Fimbristylis—F. ferruginea and F. tenuicula
Authors: Manasathien Jinnawat , Khanema Piyanut
Published: February 2024

Phytodesalination, an environmentally sustainable solution for saline soil challenges, involves identifying salt‐tolerant plants. This study meticulously examined Fimbristylis ferruginea and Fimbristylis tenuicula near the underground salt dome in Khon Kaen, Thailand, revealing unique physicochemical soil properties, morphology, metabolomic responses, and ionic sequestration mechanisms. Despite F. ferruginea’s lower ECe (21.79 vs. 41.46 dS m−1 for F. tenuicula), it excelled in sodium sequestration (504.42 g kg DW−1 vs. 246.32 g kg DW−1). Fimbristylis ferruginea’s roots efficiently locked sodium, facilitated by cyanidin, pelargonidin, and proline—compatible solutes crucial under salinity stress. Conversely, F. tenuicula, within the same genus and environment, responded to salinity stress by elongating roots and stems, enhancing salt storage, and increasing chlorophyll a content. Bioconcentration factor and translocation factor calculations designated F. ferruginea for phytostabilization and F. tenuicula for phytoextraction. This research emphasizes the assessment of salt tolerance in two Fimbristylis species, serving as natural salt reservoirs with low‐cost implications. Remarkably, F. ferruginea dominated, storing up to 50% sodium in its biomass.
Integer flows on triangularly connected signed graphs
Authors: Li Liangchen , Li Chong , Luo Rong , Zhang Cun‐Quan
Published: February 2024

A triangle‐path in a graph is a sequence of distinct triangles in such that for any with , and if . A connected graph is triangularly connected if for any two nonparallel edges and there is a triangle‐path such that and . For ordinary graphs, Fan et al. characterize all triangularly connected graphs that admit nowhere‐zero 3‐flows or 4‐flows. Corollaries of this result include the integer flow of some families of ordinary graphs, such as locally connected graphs due to Lai and some types of products of graphs due to Imrich et al. In this paper, Fan's result for triangularly connected graphs is further extended to signed graphs. We proved that a flow‐admissible triangularly connected signed graph admits a nowhere‐zero 4‐flow if and only if it is not the wheel associated with a specific signature. Moreover, this result is sharp since there are infinitely many unbalanced triangularly connected signed graphs admitting a nowhere‐zero 4‐flow but no 3‐flow.