bluuebunny/crossref_metadata_2025_split huggingface dataset:
Role of Dark States and Stokes Shift Simulations for Tetraphenylpyrazine Compared to Other Donor‐Acceptor Photosensitizers
Authors: Hernández‐Rodríguez Javier , Daría Alberto Martín Santa , Alquegui Marina Soledad , González‐Sánchez Lola , Gómez Sandra 
Published: August 2024

AbstractAn excellent agreement for simulated and measured absorption and emission spectra is found for four donor‐acceptor aromatic molecules (tetraphenylpyrazine, tetraphenylethene, distirylanthracene and hexaphenylsilole) whose derivatives serve as solid state photosensitizers. After comparing several hybrid TDDFT functionals, EOM‐CCSD, and experiments, the best agreement was found with TD‐B3LYP and double zeta basis sets (6‐31G** and def2‐SVP) for one molecule in gas phase. A full characterisation of twelve to twenty electronic excited states was performed in every system. Symmetry‐forbidden bands are found in the absorption spectra by sampling fifty to hundred geometries from a Wigner distribution. The density of states in the region 2–6 eV was also analysed, showing a very packed region of excited states and suggesting that dark electronic states may play a role in the dynamics of some of the photoexcited systems. Further calculations were done with QM/xTB at geometries extracted from previously published X‐ray data to evaluate the influence of the environment on the excitations of the four aggregated molecular crystals.
Comparing in Person to Telehealth Delivery of a Family Violence Intervention
Authors: Stover Carla Smith , Holland Margaret L. , Martin Ellen , Modanesi Edoardo , Fish Meghan Clough , Beebe Rebecca 
Published: August 2024

ABSTRACTThere is increasing evidence that therapy and intervention services delivered by telehealth are effective at reducing a variety of mental health symptoms. Limited studies have indicated online services can reduce intimate partner violence (IPV), but none have tested in‐person compared to telehealth‐delivered interventions for men who have used IPV. Clinical outcome data from 311 parents (192 fathers and 119 linked coparent mothers) engaged in the Fathers for Change (F4C) intervention following referral by child protective services for IPV were examined to determine if in‐person delivery of the intervention differed in terms of client treatment engagement and retention or outcomes. Parents who enrolled during a 1‐year period prior to the COVID pandemic received their F4C therapy in person, while those who enrolled during the pandemic received their intake and most of their sessions via telehealth delivery. Parents reported significantly greater symptoms of depression, anxiety, and stress prior to treatment if they enrolled prior to COVID than if they enrolled during the pandemic. There were few differences in completion rates or outcomes based on in‐person compared to telehealth delivery. Fathers were slightly more likely to complete treatment and attended a significantly higher percentage of their sessions when it was delivered by telehealth during COVID. Fathers reported significantly lower stress scores posttreatment when they received COVID telehealth delivery compared to prior to COVID in‐person delivery of F4C. These findings suggest that telehealth may be an appropriate and viable option for the delivery of IPV interventions for families.
The Impact of Mental Imagery Instructions on Patients' and Therapists' Positive Affect and Strength‐Based Behaviours Within Psychotherapy Sessions: A Randomized Controlled Process Study
Authors: Schürmann‐Vengels Jan , Flückiger Christoph , Reyer Emilia , Odyniec Patrizia , Willutzki Ulrike 
Published: August 2024

ABSTRACTObjectiveIncreased attention has recently been paid to the well‐being and flourishing of patients in psychotherapy. This study investigated the occurrence of positive affect (PA) and strength‐based behaviours within psychotherapy sessions contrasting positive versus neutral imagery instructions.MethodsThis is a secondary analysis of a randomized controlled trial. Seventy‐eight sessions of cognitive behavioural therapy involving 26 patients (69.23% female; Mage = 40.31) treated by 13 therapists were selected. PA and strength‐based behaviours of patients and therapists were coded on a minute‐by‐minute basis with the Resource‐Oriented Microprocess Analysis. Each session started with a brief mental imagery instruction. Data were analysed using multilevel modelling.ResultsMild levels of PA were very common, whereas stronger expressions were occasional, especially at the beginning and end of sessions. Strength‐based behaviours were employed in one‐fifth of the videos analysed. Therapists in the positive imagery instruction showed more strength‐based behaviours in the beginning phase of sessions, p < 0.05. The two imagery instructions significantly differed in the session trajectories of PA, p < 0.05. A quadratic trend with higher initial values and a sharper decline in PA were found in the positive instruction, whereas the neutral instruction showed a flatter trend.ConclusionPatients and therapists experience PA and discuss strengths in psychotherapy sessions despite patients' distress. The positive imagery instructions potentially induced a positive focus at baseline for therapists but had a negligible effect on the subsequent session progression.Trial RegistrationClinicalTrials.gov identifier: NCT03767101 (registered December 6, 2018).
High‐Selective Separation Recovery of Ni, Co, and Mn from the Spent LIBs Via Acid Dissolution and Multistage Oxidation Precipitation
Authors: Ma Wenjun , Liang Zhiyuan , Liu Yidi , Zhang Xu , Zhao Qinxin 
Published: August 2024

AbstractFor recovering Ni, Co, and Mn from lithium‐ion batteries, traditional chemical precipitation methods demonstrate low selectivity and significantly contribute to environmental pollution. This study proposes a separation recovery technique for transition metals, specifically Ni, Co, and Mn, from spent LIBs, involving “acid dissolution” and “multistage oxidation precipitation”. More than 98 % of transition metals can be extracted from spent LIBs using a low acid concentration (0.5 M) without reducing agents. The feasibility of separating different metals via multistage oxidation precipitation, based on their different electrode potentials for oxidizing Me2+ (Me=Mn/Co/Ni), was confirmed. The combination of oxidizing agent S2O82− and the precipitant OH− was universally applied to the fractional precipitation of Mn, Co, and Ni respectively. About 99 % of Mn, 97.06 % Co, and 96.62 % Ni could be precipitated sequentially by changing the concentrations of S2O82− and the pH value of solution. XRD, XPS, XRF, ICP‐MS and other methods were employed to elucidate the mechanism behind the multistage oxidation precipitation of target metal compounds, exploiting the differential electrode potentials for oxidizing Me2+ ions. This technique surpasses traditional solvent extraction in cost‐effectiveness and selectivity, showing promise for large‐scale industrial applications in recovering Mn, Co, and Ni.
Speech markers of depression dimensions across cognitive status
Authors: Soleimani Laili , Ouyang Yuxia , Cho Sunghye , Kia Arash , Beeri Michal Schnaider , Lin Hung‐Mo , Ravona‐Springer Ramit , Ramsingh Nadia , Liberman Mark Y , Grossman Murray , Nevler Naomi 
Published: August 2024

AbstractIntroductionDepression and its components significantly impact dementia prediction and severity, necessitating reliable objective measures for quantification.MethodsWe investigated associations between emotion‐based speech measures (valence, arousal, and dominance) during picture descriptions and depression dimensions derived from the geriatric depression scale (GDS, dysphoria, withdrawal‐apathy‐vigor (WAV), anxiety, hopelessness, and subjective memory complaint).ResultsHigher WAV was associated with more negative valence (estimate = ‐0.133, p = 0.030). While interactions of apolipoprotein E (APOE) 4 status with depression dimensions on emotional valence did not reach significance, there was a trend for more negative valence with higher dysphoria in those with at least one APOE4 allele (estimate = –0.404, p = 0.0846). Associations were similar irrespective of dementia severity.DiscussionOur study underscores the potential utility of speech biomarkers in characterizing depression dimensions. In future research, using emotionally charged stimuli may enhance emotional measure elicitation. The role of APOE on the interaction of speech markers and depression dimensions warrants further exploration with greater sample sizes.Highlights
Participants reporting higher apathy used more negative words to describe a neutral picture.
Those with higher dysphoria and at least one APOE4 allele also tended to use more negative words.
Our results suggest the potential use of speech biomarkers in characterizing depression dimensions.
The Influence of OCT3 and MATE2 Genetic Polymorphisms in Poor Response to Metformin in Type 2 Diabetes Mellitus
Authors: Naem Alaa Abd Al‐Hussain , Al‐Terehi Mona N. , Ghafil Fadhaa Abdulameer , Ataya Farid S. , Batiha Gaber El‐Saber , Alexiou Athanasios , Papadakis Marios , Welson Nermeen N. , Hadi Najah R. 
Published: August 2024

ABSTRACTBackgroundThe response of patients with Type 2 diabetes mellitus (T2DM) to metformin may be a variation because of genetic differences in solute carrier (SLC) transporter proteins and other effect factors, which have an important effect on how metformin is processed in the body and its efficiency for glycaemic control.AimThis study was conducted to investigate the impact of certain genetic variants of the organic cation transporter genes OCT3 (SLC22A3 rs12194182 and rs8187722) and MATE2 (SLC47A2 rs12943590) and their association with glycaemic parameters in patients with T2DM who respond poorly to metformin.Patients and MethodsThis cross‐sectional study involved 150 Iraqi cases with T2DM who were prescribed a daily dose of (1000 mg/day) metformin for a minimum of 3 months. Various parameters included are as follows: demographic data, glycaemic parameters and three SNPs: rs12943590 variant of SLC47A2, rs12194182 and rs8187722 variant of SLC22A3 using the standard PCR‐sequencing technique.ResultsThirty‐nine patients (26.17%) were responders, whereas 111 patients (73.82%) could not respond to metformin treatment. Upon analysing the genotypes of the rs12943590 variants of SLC47A2, rs12194182 and rs8187722 SNPs of SLC22A3, the present findings revealed a nonsignificant association of genetic variations in all SNPs with metformin response. SLC47A2 (rs12943590) showed nonsignificant associations of the GG, AA and AG genotyping; SLC22A3 (rs12194182) showed nonsignificant associations of the TT, TC and CC genotyping; and SLC22A3 (rs8187722) showed nonsignificant associations of the AA, CC and AC genotyping between two groups.ConclusionVariations in genes SLC22A3 and SLC47A2 did not have a significant role in the response of patients with T2DM to metformin (1000 mg/day).
Vaccinia virus F1L blocks the ribotoxic stress response to subvert ZAKα‐dependent NLRP1 inflammasome activation
Authors: Szymanska Inga , Bauernfried Stefan , Komar Tobias , Hornung Veit 
Published: August 2024

AbstractInflammasomes are essential for host defense, recognizing foreign or stress signals to trigger immune responses, including maturation of IL‐1 family cytokines and pyroptosis. Here, NLRP1 is emerging as an important sensor of viral infection in barrier tissues. NLRP1 is activated by various stimuli, including viral double‐stranded (ds) RNA, ribotoxic stress, and inhibition of dipeptidyl peptidases 8 and 9 (DPP8/9). However, certain viruses, most notably the vaccinia virus, have evolved strategies to subvert inflammasome activation or effector functions. Using the modified vaccinia virus Ankara (MVA) as a model, we investigated how the vaccinia virus inhibits inflammasome activation. We confirmed that the early gene F1L plays a critical role in inhibiting NLRP1 inflammasome activation. Interestingly, it blocks dsRNA and ribotoxic stress‐dependent NLRP1 activation without affecting its DPP9‐inhibition‐mediated activation. Complementation and loss‐of‐function experiments demonstrated the sufficiency and necessity of F1L in blocking NLRP1 activation. Furthermore, we found that F1L‐deficient, but not wild‐type MVA, induced ZAKα activation. Indeed, an F1L‐deficient virus was found to disrupt protein translation more prominently than an unmodified virus, suggesting that F1L acts in part upstream of ZAKα. These findings underscore the inhibitory role of F1L on NLRP1 inflammasome activation and provide insight into viral evasion of host defenses and the intricate mechanisms of inflammasome activation.
Template mapping method for plane quadrilateral mesh generation with controllable density transitions
Authors: Li Yize , Hu Qingyuan , Cheng Gengdong 
Published: August 2024

AbstractIn this article, we integrate the template method and the mapping method to propose a new approach for generating quadrilateral meshes with controllable density transitions for planar geometric models. This method first recursively generates pseudo‐midlines of the geometric model and uses them to divide the geometric model into large quadrilateral regions. Then, based on a nonuniform rational B‐spline surface, we design several mesh generation templates and further map these templates to large quadrilaterals to achieve controllable density transitions. Finally, the method includes a mesh smoothing method to improve mesh quality. This approach can quickly generate high‐quality quadrilateral meshes with controllable density transitions. The effectiveness of the technique is demonstrated by several test cases within the framework of the open‐source Gmsh code.
High‐performance supercapacitors using nanostructured polyaniline‐based carbon: Effect of electrolytes
Authors: Madhushani K.A.U. , Perera A.A.P.R. , Lin Wang , Sultana Jolaikha , Mishra Sanjay R. , Perez Felio , Gupta Ram K. 
Published: August 2024

AbstractDeveloping high‐performance materials for electrochemical energy storage devices such as batteries, and supercapacitors is a significant topic in material chemistry‐based research. The high consumption and limited availability of numerous materials used in energy devices lead to the development of alternative, effective, and cost‐effective materials exhibiting superior electrochemical chemical performance. A porous activated carbon, derived from polyaniline (PANI) synthesized through chemical oxidative polymerization, can be considered a viable solution in this context. In this study, the electrochemical window of the nitrogen‐doped porous activated carbon was enhanced through a combined synthesis process involving the carbonization and activation of PANI nanotubes with KOH. Moreover, alternations in surface area and porosity were evaluated using BET analysis for the samples having PANI to KOH ratios 1:0.5, 1:1, and 1:2. The results revealed a significant improvement in surface area and pore volume, increasing from 18 to 3535 m2/g from pure PANI to chemically treated samples. Among those materials, the PANI to KOH ratio of 1:1 exhibited the highest surface area of 3535 m2/g and the highest pore volume of 0.7131 cm3/g. Subsequently, the electrochemical performance of all materials was evaluated using a three‐electrode cell system and a symmetrical coin‐cell device. Electrodes fabricated with PANI to KOH ratio of 1:1 by weight showed better electrochemical performance in an aqueous electrolyte (6 M KOH) in both systems. This material exhibited the highest capacitance of 378 F/g (at 0.5 A/g) in the three‐electrode system and 143 F/g (at 0.5 A/g) in the SCCD. The SCCD achieved a maximum energy density of 23 Wh/kg with a power density of 544 W/kg. Additionally, these supercapacitors provided a good Coulombic efficiency of about 99% with capacitance retention of 97% at 7 A/g current density after 10 000 charge–discharge cycles. Further, this study expanded by investigating variations of electrochemical performance across various electrolytes, including aqueous, organic, and ionic liquids in coin‐cell supercapacitors. The findings reveal promising results, suggesting potential commercial applications for this facile approach to synthesize nitrogen‐doped activated carbon, especially for supercapacitors with aqueous electrolytes.
Fusing foresight and futures thinking for a new transformative evaluation paradigm
Authors: Thompson Coon Rose , Vataja Katri , Parkkonen Pinja 
Published: August 2024

AbstractThis paper explores the role and potential of foresight in evaluation practice in an increasingly uncertain and complex world. Evaluation designs, which have primarily focused on assessing past and present performance, are becoming less adequate for guiding organizations and strategies toward desired futures. Consequently, there is a pressing need for evaluations to adopt a more future‐focused approach. This article argues for the integration of foresight and futures thinking into evaluation methodologies to support transformative change and tackle the systemic challenges of our time. By drawing on an evaluation case study from the Finnish Innovation Fund Sitra, we demonstrate how applied foresight methods, including Horizon Scanning and a modified Delphi method, enhanced the evaluation process. These methods enabled a forward‐looking perspective essential for informing strategic decision‐making and programming. Specifically, the application of foresight methods in Sitra's evaluation supported assessing the relevance and timeliness of strategic choices, provided options for future programming, and deepened the understanding of complexities around ecological reconstruction and the operational environment. The paper contributes to the evolving discourse and practices on transformative evaluation by offering practical insights into the use of foresight methods, ultimately advocating for a paradigm shift toward more dynamic and future‐oriented evaluation practice.
Southern Ocean sea ice, icebergs, and meteorological data from maritime sources for the period 1929 to 1940
Authors: Divine Dmitry V. , Divina Svetlana , Bjørge Ole Edvard , Isaksson Elisabeth , Jølle Harald Dag , Stokkeland Ivar , Vasquez Guzman Mariela , Wilkinson Sally , Wilkinson Clive 
Published: August 2024

AbstractMaritime historical documentary sources of weather and state of sea surface including sea ice can aid in filling a known climate knowledge gap for the Southern Ocean and Antarctica for the first half of the 20th century. This study presents a data set of marine climate, sea ice and icebergs recovered from a collection of logbooks from mainly Norwegian whaling factory ships that operated in the Southern Ocean during 1929–1940. The data set comprises some 8000 weather and 4000 sea ice/open sea records from austral summers of the study period. This paper further discusses the structure and content of most common Norwegian maritime documentary sources of the period along with the practices of logging information relevant for the study, such as time keeping, positioning and making weather observations. An emphasis was made on recovery of notes on sea ice and icebergs and their interpretation in terms of WMO categories of sea ice concentration. Data, including ship‐related metadata from all individual documents are homogenized and structured to a common machine‐readable format that simplifies its ingestion into relevant climate data depositories.
Student led community health checks in regional Victoria: A mixed methods study
Authors: Porter Joanne , Coombs Nicole , Barbagallo Michael 
Published: August 2024

AbstractIssue AddressedInequitable health care access can be addressed by using community outreach programs. A collaborative, codesigned student‐led pop‐up health check clinic was conducted in three low‐socioeconomic regional communities in Victoria, Australia. Supervised undergraduate nursing students conducted free health checks, practiced assessment and communication skills, and provided health education.MethodsA mixed‐method approach was used to evaluate the impact, outcome, and processes used to deliver health checks in three different community settings. Data included post‐check surveys and follow‐up interviews with community participants, which were analysed using descriptive statistics and thematic analysis.ResultsA total of 166 surveys were collected and 30 interviews conducted from community participants located in three different communities. Participants were very satisfied with the information provided in the clinics and the delivery process. Further analysis also identified three major themes: (1) Defining a need, (2) Reaching the Community, and (3) Health promotion benefits.ConclusionsCommunity outreach programs are effective in reaching vulnerable populations, improving community access to risk screening, reducing demands, supporting existing services, and providing excellent training opportunities for the future health care workforce within communities.So What?Further planning and financial investment are required to support community outreach programs that provide disease prevention and risk screening. More investment is needed in promoting outreach services within vulnerable populations, where social determinants contribute to poor health outcomes and access to health care is limited. Collaborative programs such as student‐led pop‐up clinics, are one way outreach can make a difference to community health.
Sitagliptin synergizes 5‐fluorouracil efficacy in colon cancer cells through MDR1‐mediated flux impairment and down regulation of NFκB2 and p‐AKT survival proteins
Authors: Eisa Asmaa , Hanafy Shaden M. , Khalil Hany , Elshal Mohamed F. 
Published: August 2024

Abstract5‐fluorouracil (5‐FU) is an inexpensive treatment for colon cancer; however, its efficacy is limited by chemoresistance. This study investigates the combination therapy approach of 5‐FU with Sitagliptin (Sita), a diabetic drug with potential cancer‐modulating effects. The combination was evaluated in vitro and in silico, focusing on the effects of Sita and 5‐FU on colon cancer cells. The results showed that the addition of Sita significantly decreased the IC50 of 5‐FU compared to 5‐Fu monotherapy. The study also found that Sita and 5‐FU interact synergistically, with a combination index below 1. Sita successfully lowered the 5‐FU dosage reduction index, decreasing the expression of MDR1 mRNA and p‐AKT and NFκB2 subunits p100/p52 protein. Molecular docking analyses confirmed Sita's antagonistic action on MDR1 and thymidylate synthase proteins. The study concludes that sitagliptin can target MDR1, increase apoptosis, and significantly reduce the expression of p‐AKT and NFκB2 cell‐survival proteins. These effects sensitize colon cancer cells to 5‐FU. Repurposing sitagliptin may enhance the anticancer effects of 5‐FU at lower dosages.