bluuebunny/crossref_metadata_2025_split huggingface dataset:
Role of supplier engagement to reduce Scope 3 emissions in circular supply chains
Authors: Butt Atif Saleem , Alghababsheh Mohmmad , Sindhwani Rahul , Gwalani Hema 
Published: October 2024

AbstractPurchasing firms/buyers committed to driving environmental change in their supply chains must address emissions from all three scopes, particularly Scope 3 emissions. Hence, supplier engagement has emerged as a critical strategy for achieving net‐zero emissions. However, studies about how purchasing firms engage with suppliers and how such engagement mitigates Scope 3 emissions are relatively scant. This study fills this important gap in supply chain management literature. The study employs a multiple‐case study approach. Overall, 42 semi‐structured interviews with senior managers from four purchasing and four supplying firms are undertaken. The results unveil six of the best strategies that purchasing firms have deployed to effectively engage suppliers and bring them on track to reduce Scope 3 emissions. These include effective communication, building trust, providing support and guidance, using suppliers' data effectively, refining engagement programs through consistent feedback, and developing supplier incentive programs. The study offers both theoretical insights and practical implications. For instance, it suggests that effective engagement with suppliers will help suppliers mitigate Scope 3 emissions, and buyers can also overcome conflicting targets to reduce Scope 3 emission targets in procurement. The paper concludes with a discussion of limitations and suggestions for future research.
Amide Synthesis from Decarboxylative Coupling of Isocyanates and Carboxylic Acids
Authors: Wang R. , Liu W. H. 
Published: October 2024

AbstractIsocyanates are versatile electrophiles that can react with a wide range of nucleophiles to afford important organic structures. Although the reactions between isocyanates and alcohols, amines and organometallic reagents have been well established, the synthesis of amides through the decarboxylative condensation of carboxylic acids and isocyanates is less appreciated. In this review, the synthesis of isocyanates and its application on amide synthesis through the condensation with carboxylic acids are summarized and discussed. It is our hope that this review will attract more attention to this less mentioned transformation and inspire new developments in the fields of organic synthesis, polymer synthesis and chemical biology.
Different treatment modalities for underexpanded stents—Effectiveness and outcomes: A practical guide
Authors: Lupu Lior , Hashim Hayder D. , Haberman Dan , Chitturi Kalyan R. , Abusnina Waiel , Chaturvedi Abhishek , Satler Lowell F. , Waksman Ron , Ben‐Dor Itsik 
Published: October 2024

AbstractUnderexpanded stents are a dreaded complication of percutaneous coronary intervention (PCI) and are a major predictor of stent thrombosis and in‐stent restenosis. Lesion preparation and plaque modification before stent implantation are essential to prevent stent underexpansion and optimize the technical outcomes of PCI. Once stent underexpansion occurs, the treatment options are limited. New devices for the treatment of complex calcified lesions have emerged in the past few years, and experience has accumulated with their use in the treatment of underexpanded stents. This review aims to provide an evidence‐based, practical summary of the approach to stent underexpansion, with particular attention to the expected luminal gain, complication rates, and technical nuances of various treatment options. These modalities include the ultrahigh pressure OPN noncompliant balloon, excimer laser coronary angioplasty, rotational and orbital atherectomy, and intravascular lithotripsy. The data gathered for each of these modalities and our experience in treating this complex condition were used to formulate a treatment algorithm for such cases.
Gallbladder sludge and microlithiasis disappearance in a cystic fibrosis patient 1 year after triple combination therapy initiation
Authors: Tagliati Corrado , Veri Daniele , Pietra Andrea , Lanni Giuseppe , Battista Davide , Fogante Marco , Argalia Giulio , Lanza Cecilia , Pantano Stefano , Collini Francesca , Di Sabatino Maria , Ripani Pietro 
Published: October 2024

Key Clinical MessageGallstones, microlithiasis, gallbladder sludge, and micro‐gallbladder are frequently reported in cystic fibrosis patients, and modulators could modify gallbladder disease, probably reducing biliary secretions viscosity.
Designing Sustainable Copper‐Based Hybrid Framework Catalysts for One‐Pot Multicomponent Organic Reactions
Authors: Poojita  , Sharma Vishal , Singh Virender , Mandal Tapas Kumar , Paul Avijit Kumar 
Published: October 2024

AbstractThe recent breakthroughs in heterogeneous catalysis emphasize the need for novel materials capable of driving organic transformations. The present study explores two copper phosphonate hybrid framework materials, 2D Cu3[(Hhedp)2(C4H4N2)].2H2O (Cu(II)Pyz‐P) and 3D Cu3[(H3hedp)2(C4H4N2)4(SO4)].2H2O (Cu(I/II)Pyz‐P), as single crystals isolated via hydrothermal synthetic strategy using H4hedp (1‐hydroxyethane 1,1‐diphosphonic acid) and N‐donor secondary ligand (Pyrazine; C4H4N2). Cu(II)Pyz‐P contains exclusively +2 oxidation state of copper, while Cu(I/II)Pyz‐P is characterized by a mixed oxidation state, where copper +2 phosphonate is embedded within the network formed by copper +1 state. Moreover, magnetic study elucidates the distinct oxidation states of both compounds by showing deviations from each other. The aforementioned compounds are exceedingly effective for catalyzing multicomponent reactions, that is, A3 coupling reaction and click reaction. Cu(I/II)Pyz‐P ensures the regioselective synthesis of triazole with high purity, while A3 coupling reaction is facilitated by both the compounds. Solvent‐ and additive‐free efficient multicomponent reactions are explored for the first time in the copper phosphonate hybrid framework structures. The present study reveals the promise of copper‐based hybrid phosphonate frameworks as durable and efficient catalysts for organic synthesis, providing cost‐effective and sustainable ways for advanced catalytic transformations.
Tuning Sb Atoms on Cu‐Based Catalysts for Electrochemical Conversion of CO2 to Syngas
Authors: Li Ke , Sun Jifei , Liu Shuang , Xu Jingwen , Shen Chunyue , Jiang Taoli , Yuan Yuan , Chuai Mingyan , Xu Yan , Liu Zaichun , Chen Wei 
Published: October 2024

AbstractThe electrochemical CO2RR into syngas provides an attractive way to produce raw materials for synthesizing various value‐added chemicals. However, a wide range of tunable syngas ratio of CO/H2 is hard to achieve during the electrochemical CO2 conversion process. Herein, we propose a facile electrodeposition method for the preparation of Sb modified Cu‐based catalysts with a high activity for the ratio‐tunable production of syngas. The Cu10Sb1 catalyst reaches a high FE of 71% for CO at a potential of −1.09 V versus RHE with the tunable CO/H2 ratio of syngas from ∼0.6 to ∼7.8 at the applied potentials from −0.78 V to −1.09 V. Theoretical calculations reveal the tuning effect of Sb atoms on Cu‐based catalyst for the electrochemical conversion of CO2 to syngas, in which the formation of CO on Sb modified Cu‐based catalyst possesses lower energy barrier in potential‐limiting steps during CO2RR. Meanwhile, the robust charge interaction between COOH* species and the surface of Sb modified Cu‐based catalyst enhances the activity of COOH* species, thus improving FE and current density for conversion into syngas products. This work brings a new strategy for the synthesis of low‐cost syngas catalyst and the tuning effect of metal atom on Cu‐based catalyst for CO2RR.
Micro Heat Exchanger: Design, Operation and Economics
Authors: Sohrabi Somayeh , Hajshahvaladi Leila , Ahmadzadeh Hamidreza , Ojagh Seyed Mohammad Amin , Heidarpoor Farnaz , Dana Farnaz , Sohrabi Ehsan , Moraveji Mostafa Keshavarz 
Published: October 2024

AbstractWhere precision is paramount in managing temperature and fluid dynamics, micro heat exchangers (MHXs) emerge as indispensable tools. This review investigates the significance of MHX technology, offering readers a comprehensive roapmap from conceptualization to market application. We dissect the nuances of material selection, shedding light on cutting‐edge advancements poised to revolutionize MHX efficiency. Furthermore, we explore how the geometry of MHX influences heat transfer dynamics and pressure drop, providing insights into enhancing the overall effectiveness. We delve into the various types of control instrumentation, offering a detailed analysis of their applicability. Beyond the technical prowess, the economic landscape plays a pivotal role in the adoption of MHX technology.
Challenges in implementation of molecular classification in early stage endometrial cancer—An NRG Oncology cooperative group mixed‐methods study
Authors: Wilson Elise M. , Huang Ruizhi , Jones Kristen D. , Hagemann Ian S. , Temkin Sarah M. , McAlpine Jessica N. , Powell Matthew A. , Kepper Maura M. , Hagemann Andrea R. 
Published: October 2024

AbstractBackgroundProfessional guidelines recommend molecular profiling for mismatch repair (MMR), p53, and polymerase epsilon (POLE) status in endometrial cancer (EC). However, adoption in the United States has not been documented, and barriers to the implementation of testing have not been described.MethodsIn this mixed‐methods study, implementation science frameworks were used to develop a quantitative survey. Gynecologic oncologists, medical oncologists, radiation oncologists, and pathologists affiliated with NRG Oncology programs were contacted through snowball sampling and were surveyed during 2022–2023. A subset of respondents was interviewed. Statistical and thematic analyses were performed.ResultsAt least 403 NRG Oncology‐affiliated providers were contacted for the survey, and 107 (26.6%) responded. Greater than 90% of respondents perceived POLE, MMR, and p53 status as important for clinical care. MMR and p53 tests were perceived as easy to obtain, but only 24.2% of respondents reported that POLE testing was moderately or very easy to obtain. Respondents from academic sites reported better access to molecular classification and perceived greater importance of molecular classification compared with respondents from community sites. In thematic analysis of 13 qualitative interviews, cost concerns were reported as large barriers to testing. Interviewees reported a desire for prospective data to guide treatment selection based on classification results.ConclusionsAlthough integrating molecular classification into standard pathologic reporting is recommended, and clinicians perceive molecular profiling in early stage EC as important, survey respondents noted significant implementation barriers. Implementation challenges that differ between community oncology and academic practice settings were identified. Strategies to improve equitable access to molecular classification of early stage EC are needed.
Converting Second‐Order Saddle Points to Transition States: New Principles for the Design of 4π Photoswitches
Authors: Mirzanejad Amir , Muechler Lukas 
Published: October 2024

AbstractMolecular photoswitches have demonstrated potential for storing solar energy at the molecular level, with power densities comparable to commercial batteries and hydroelectric energy storage. However, development of efficient photoswitches is hindered by limitations in cyclability and optical properties of existing materials. We here demonstrate that certain limitations in photoswitches based on electrocyclizations stem from the issue of controlling competition between Woodward‐Hoffmann allowed and forbidden pathways. Our approach moves beyond the traditional view of activation barriers and reveals that second‐order saddle points are crucial in dictating the competition between disrotatory and conrotatory pathways. These insights suggest new opportunities to manipulate the competition between these pathways through geometric constraints, fundamentally altering the connectivity of the potential energy surface. Our study also emphasizes the necessity of multi‐reference methods and the need to conduct higher‐dimensional explorations for competing pathways beyond photoswitch design.
Alkylcyanation of Unactivated Alkenes with Protic C(sp3)−H Feedstocks via Radical‐Initiated Intramolecular Cyano Group Migration Enabled by Photoredox/Brønsted Base Dual Catalysis
Authors: Hong Yang , Deng Hong‐Ping 
Published: October 2024

AbstractCyanofunctionalization of alkenes via radical‐initiated cyano migration was a straightforward pathway to access alkyl nitriles. Herein, By the synergistic merger of photoredox catalysis and Brønsted base catalysis, a mild protocol of alkylcyanation of unactivated alkenes with protic C(sp3)−H feedstocks via intramolecular 1,4‐cyano group migration was reported. This method was enabled in an atom‐, and step‐economy manner, delivering a series of γ‐cyanoester derivatives in moderate to excellent yields.
Evolution of aberrant brain‐wide spatiotemporal dynamics of resting‐state networks in a Huntington's disease mouse model
Authors: Vasilkovska Tamara , Verschuuren Marlies , Pustina Dorian , van den Berg Monica , Van Audekerke Johan , Pintelon Isabel , Cachope Roger , De Vos Winnok H. , Van der Linden Annemie , Adhikari Mohit H. , Verhoye Marleen 
Published: October 2024

AbstractBackgroundHuntington's disease (HD) is marked by irreversible loss of neuronal function for which currently no availability for disease‐modifying treatment exists. Advances in the understanding of disease progression can aid biomarker development, which in turn can accelerate therapeutic discovery.MethodsWe characterised the progression of altered dynamics of whole‐brain network states in the zQ175DN mouse model of HD using a dynamic functional connectivity (FC) approach to resting‐state fMRI and identified quasi‐periodic patterns (QPPs) of brain activity constituting the most prominent resting‐state networks.ResultsThe occurrence of the normative QPPs, as observed in healthy controls, was reduced in the HD model as the phenotype progressed. This uncovered progressive cessation of synchronous brain activity with phenotypic progression, which is not observed with the conventional static FC approaches. To better understand the potential underlying cause of the observed changes in these brain states, we further assessed how mutant huntingtin (mHTT) protein deposition affects astrocytes and pericytes – one of the most important effectors of neurovascular coupling, along phenotypic progression. Increased cell‐type dependent mHTT deposition was observed at the age of onset of motor anomalies, in the caudate putamen, somatosensory and motor cortex, regions that are prominently involved in HD pathology as seen in humans.ConclusionOur findings provide meaningful insights into the development and progression of altered functional brain dynamics in this HD model and open new avenues in assessing the dynamics of whole brain states, through QPPs, in clinical HD research.Highlights
Hyperactivity in the LCN‐linked regions within short QPPs observed before motor impairment onset.
DMLN QPP presents a progressive decrease in DMLN activity and occurrence along HD‐like phenotype development.
Breakdown of the LCN DMLN state flux at motor onset leads to a subsequent absence of the LCN DMLN QPP at an advanced HD‐like stage.
Fight, retreat, repeat: The male–male agonistic behavior in the wood‐feeding cockroach, Panesthia angustipennis spadica (Dictyoptera: Blattodea: Blaberidae)
Authors: Osaki Haruka , Nakazono Tomohiro , Yabe Kiyotaka , Takata Mamoru , Mikaelyan Aram 
Published: October 2024

AbstractCompetition is one of the most critical factors affecting animal behaviors. Aggressive interactions are central to acquiring resources or mating partners. Agonistic behavior is more common among males than females. Although laboratory observations of these behaviors give detailed descriptions under controlled conditions, field observations without human intervention are required because those supply information that provides insights into their function. In this paper, we report on the field observation and auxiliary laboratory experiments of male–male agonistic behavior of a wood‐feeding cockroach, Panesthia angustipennis, and discuss its strategy. In the field, a male pushed the opponent with the horn on the pronotum out of a gap between two logs, under which a female was. After pushing, the male repeatedly returned to a place close to the female, even if it did not subdue the opponent entirely. It suggests that the male–male agonistic behavior in P. angustipennis has both attack and avoidance. The bout was repeated as the ejected male reapproached the male. In contrast, the inferior male often escaped in the laboratory recording after field observation. Keeping the fighting experience for several days may contribute to the males avoiding a “losing battle.” This study significantly enhances our understanding of the mating strategy of P. angustipennis through male–male agonistic behavior and provides possibilities for its cognitive aspects from the fighting experience.
Association between clinician team segregation, receipt of cardiovascular care and outcomes in valvular heart diseases
Authors: Bolakale‐Rufai Ikeoluwapo Kendra , Knapp Shannon M. , Bisono Janina Quintero , Johnson Adedoyin , Moore Wanda , Yankah Ekow , Yee Ryan , Trabue Dalancee , Nallamothu Brahmajee , Hollingsworth John M. , Watty Stephen , Williamson Francesca , Pool Natalie , Hebdon Megan , Ezema Nneamaka , Capers Quinn , Blount Courtland , Kimbrough Nia , Johnson Denee , Evans Jalynn , Foree Brandi , Holman Anastacia , Lightbourne Karen , Brown David , Edmonds Brownsyne Tucker , Breathett Khadijah 
Published: October 2024

AbstractAimsRacial disparities exist in clinical outcomes for valvular heart disease (VHD). It is unknown whether clinician segregation contributes to these disparities. Among an adequately insured population, we evaluated the relationship between clinician segregation in a hospital and receipt of care by a cardiologist according to patient race. We also evaluated the association between clinician segregation, race and care by a cardiologist on 30‐day readmission and 1‐year survival.Methods and resultsUsing Optum's Clinformatics® Data Mart Database (CDM, US commercial and Medicare beneficiaries) from 2010 to 2018, we identified patients with a primary diagnosis of VHD. Hospitals were categorized into low, medium and high segregation groups (SG), according to clinician segregation index (SI). SI can range from 0–1 (0: the ratio of Black to White patients is the same for all clinicians; 1: each clinician treats only Black or only White patients). Outcomes were analysed using generalized linear mixed effect models. Among 8649 patients [median age 75 (67–82), 45.4% female, 16.1% Black, 83.9% White], odds of care from a cardiologist did not vary across race for all SGs [Low SG adjusted odds ratio (aOR): 0.79 (95% CI: 0.58–1.08), P = 0.14; Medium SG aOR: 0.86 (95% CI: 0.60–1.25), P = 0.43; High SG aOR: 1.07 (95% CI: 0.68–1.69), P = 0.76]. Among those that received care from a cardiologist, there was no difference in the 30‐day readmission between Black and White patients across SGs [Low SG aOR: 1.05 (95% CI: 0.83–1.31), P = 0.70; Medium SG aOR: 1.22 (95% CI: 0.92–1.61), P = 0.17; High SG aOR: 0.81 (95% CI: 0.57–1.17), P = 0.27]. Among patients that did not receive care from a cardiologist, Black patients in low SG had higher odds of 30‐day readmission compared to White patients [aOR: 2.74 (95%CI:1.38–5.43), P < 0.01]. Odds of 1‐year survival were similar across race for all SG irrespective of receipt of care from a cardiologist [seen by a cardiologist: Low SG aOR: 1.13 (95% CI: 0.86–1.48), P = 0.38; Medium SG aOR: 0.83 (95% CI: 0.59–1.17), P = 0.29; High SG aOR: 1.01 (95% CI: 0.66–1.52), P = 0.98; not seen by a cardiologist: Low SG aOR: 0.56 (95% CI: 0.23–1.34), P = 0.19; Medium SG aOR: 0.81 (95% CI: 0.28–2.37), P = 0.70; High SG aOR: 0.63 (95% CI: 0.23–1.74), P = 0.37].ConclusionsAmong an insured population, race was not associated with care by a cardiologist for VHD or survival. Black patients not seen by cardiologists had higher odds of 30‐day readmission in low clinician SG.
Assembly of Thiazino[3,4‐a]Isoquinoline and Thiazepino[5,4‐a]Isoquinoline Frameworks from Isoquinolinium 1,4‐Zwitterionic Thiolates Through [5+1] and [5+2] Cycloaddition Reactions
Authors: Wang Ji‐Yun , Wang Yu‐Ting , Zou Xiao , Chen Xi , Yan Sheng‐Hu , Zhang Yue , Shen Jie‐Fa , Zuo Hang‐Dong 
Published: October 2024

AbstractTwo cycloaddition modes of isoquinolinium 1,4‐zwitterionic thiolates have been established. Upon choosing α‐bromo ketones as the counterpart, a range of isoquinoline‐fused thiazines can be attained with yields ranging from moderate to excellent through a formal [5+1] reaction pathway, exhibiting remarkable substrate adaptability and resilience to diverse functional groups. Additionally, a library of unprecedented thiazepino[5,4‐a]isoquinolines, a novel category of seven‐membered heterocycles, has been synthesized via a [5+2] pathway utilizing acetylenedicarboxylate as the reactive component. Notably, this reaction process stands out for its exceptional 100 % atomic utilization efficiency.
Gilding the Lily: Studies on the Effects of Successive Loading of Light Energy‐Storing Molecules with Norbornadiene Units
Authors: Schulte Robin , Schade Dustin , Paululat Thomas , Ihmels Heiko 
Published: October 2024

AbstractThe photochromic norbornadiene‐quadricyclane cycle has emerged as a promising basis for molecular solar thermal (MOST) energy storage. In this context, it has been established that multifunctional photoswitches with several norbornadiene units at one central aromatic core have favorable photochemical properties and storage capacities. Nevertheless, a maximum number of three norbornadiene units has been combined in one molecule, so far. In this work, scope and limits of this approach should be further assessed. Thus, exemplary polyfunctionalized derivatives have been synthesized by Suzuki‐Miyaura reactions, and their suitability for MOST applications was investigated. These compounds were converted into the corresponding quadricyclanes by direct UV irradiation (λex=315 nm) with moderate quantum yields, whereas the reaction is more efficient upon irradiation with λex=520 nm in the presence of photosensitizers. But these molecules showed low stabilities and short half‐lives of 1 to 2 days. Moreover, the photochemical reaction is hampered by the close vicinity of photoactive units. Therefore, it appears that in such assemblies, a maximum number of three norbornadiene units is the limit to keep the optimal balance of photochemical properties required for MOST applications.