bluuebunny/crossref_metadata_2025_split huggingface dataset:
M-Ionic: prediction of metal-ion-binding sites from sequence using residue embeddings
Authors: Shenoy Aditi , Kalakoti Yogesh , Sundar Durai , Elofsson Arne 
Published: January 2024

Abstract

Motivation
Understanding metal–protein interaction can provide structural and functional insights into cellular processes. As the number of protein sequences increases, developing fast yet precise computational approaches to predict and annotate metal-binding sites becomes imperative. Quick and resource-efficient pre-trained protein language model (pLM) embeddings have successfully predicted binding sites from protein sequences despite not using structural or evolutionary features (multiple sequence alignments). Using residue-level embeddings from the pLMs, we have developed a sequence-based method (M-Ionic) to identify metal-binding proteins and predict residues involved in metal binding.

Results
On independent validation of recent proteins, M-Ionic reports an area under the curve (AUROC) of 0.83 (recall = 84.6%) in distinguishing metal binding from non-binding proteins compared to AUROC of 0.74 (recall = 61.8%) of the next best method. In addition to comparable performance to the state-of-the-art method for identifying metal-binding residues (Ca2+, Mg2+, Mn2+, Zn2+), M-Ionic provides binding probabilities for six additional ions (i.e. Cu2+, Po43−, So42−, Fe2+, Fe3+, Co2+). We show that the pLM embedding of a single residue contains sufficient information about its neighbours to predict its binding properties.

Availability and implementation
M-Ionic can be used on your protein of interest using a Google Colab Notebook (https://bit.ly/40FrRbK). The GitHub repository (https://github.com/TeamSundar/m-ionic) contains all code and data.
Shared Minds, Shared Feedback: tracing the influence of parental feedback on shared neural patterns
Authors: Zhang Juan , Wang Yihui , Mao Yidi , Leong Chantat , Yuan Zhen 
Published: January 2024

Abstract
Parental feedback affects children in multiple ways. However, little is known about how children, family, and feedback types affect parental feedback neural mechanisms. The current study used functional near-infrared spectroscopy-based hyperscanning to observe 47 mother–daughter pairs’s (mean age of mothers: 35.95 ± 3.99 yr old; mean age of daughters: 6.97 ± 0.75 yr old) brain synchronization in a jigsaw game under various conditions. Between parental negative feedback and praise conditions, mother–daughter brain in supramarginal gyrus, left dorsolateral prefrontal cortex, right inferior frontal gyrus, and right primary somatic (S1) differed. When criticized, conformity family-communication-patterned families had much worse brain synchronization in S1, left dorsolateral prefrontal cortex, and right Wernicke’s region than conversational families. Resilient children had better mother–child supramarginal gyrus synchronicity under negative feedback. This study supports the importance of studying children’s neurological development in nurturing environments to assess their psychological development.
A new approach for solving global optimization and engineering problems based on modified sea horse optimizer
Authors: Hashim Fatma A , Mostafa Reham R , Khurma Ruba Abu , Qaddoura Raneem , Castillo Pedro A 
Published: January 2024

Abstract
Sea horse optimizer (SHO) is a noteworthy metaheuristic algorithm that emulates various intelligent behaviors exhibited by sea horses, encompassing feeding patterns, male reproductive strategies, and intricate movement patterns. To mimic the nuanced locomotion of sea horses, SHO integrates the logarithmic helical equation and Levy flight, effectively incorporating both random movements with substantial step sizes and refined local exploitation. Additionally, the utilization of Brownian motion facilitates a more comprehensive exploration of the search space. This study introduces a robust and high-performance variant of the SHO algorithm named modified sea horse optimizer (mSHO). The enhancement primarily focuses on bolstering SHO’s exploitation capabilities by replacing its original method with an innovative local search strategy encompassing three distinct steps: a neighborhood-based local search, a global non-neighbor-based search, and a method involving circumnavigation of the existing search region. These techniques improve mSHO algorithm’s search capabilities, allowing it to navigate the search space and converge toward optimal solutions efficiently. To evaluate the efficacy of the mSHO algorithm, comprehensive assessments are conducted across both the CEC2020 benchmark functions and nine distinct engineering problems. A meticulous comparison is drawn against nine metaheuristic algorithms to validate the achieved outcomes. Statistical tests, including Wilcoxon’s rank-sum and Friedman’s tests, are aptly applied to discern noteworthy differences among the compared algorithms. Empirical findings consistently underscore the exceptional performance of mSHO across diverse benchmark functions, reinforcing its prowess in solving complex optimization problems. Furthermore, the robustness of mSHO endures even as the dimensions of optimization challenges expand, signifying its unwavering efficacy in navigating complex search spaces. The comprehensive results distinctly establish the supremacy and efficiency of the mSHO method as an exemplary tool for tackling an array of optimization quandaries. The results show that the proposed mSHO algorithm has a total rank of 1 for CEC2020 test functions. In contrast, the mSHO achieved the best value for the engineering problems, recording a value of 0.012 665, 2993.634, 0.01 266, 1.724 967, 263.8915, 0.032 255, 58 507.14, 1.339 956, and 0.23 524 for the pressure vessel design, speed reducer design, tension/compression spring, welded beam design, three-bar truss engineering design, industrial refrigeration system, multi-product batch plant, cantilever beam problem, and multiple disc clutch brake problems, respectively. Source codes of mSHO are publicly available at https://www.mathworks.com/matlabcentral/fileexchange/135882-improved-sea-horse-algorithm.
Lower extremity necrotizing fasciitis with iliopsoas abscess secondary to perforated colon cancer: a diagnosis not to miss
Authors: Lahham Elias E , Alsahouri Mohammad I , Ghweir Abdalrazeq A , Alsalah Qusai A , AlQadi Mohammad , Sarhan Nader 
Published: January 2024

AbstractNecrotizing fasciitis (NF) is a life-threatening soft tissue infection, typically caused by preexisting conditions such as trauma, complicated intraabdominal infections, or even small wounds. However, it is very rare for NF to occur as a result of perforated colon cancer (CC). Diagnosis primarily relies on clinical findings, imaging, and laboratory tests. Early diagnosis and treatment are crucial for patient survival. In this study, we present a case of an 82-year-old female a known case of CC diagnosed 1 month ago. She presented with hip pain persisting for 10 days duration, along with skin changes over the proximal anterolateral aspect of the thigh. The patient was diagnosed with NF associated with an iliopsoas abscess caused by perforated CC that was managed with surgical debridement, left hemicolectomy, and end colostomy along with broad-spectrum antibiotics.
An extremely rare case of multiple small bowel intussusceptions in a 20-year-old female
Authors: Kelly Elaine , Murphy Amy E , Byrne James , Haidaran Ahmed 
Published: January 2024

Abstract
Intussusception, which is characterized by the invagination of one portion of the gastrointestinal tract into an adjacent segment, is an uncommon cause of abdominal pain in adults. Given that it is typically associated with identifiable pathological abnormalities, intussusception can pose a diagnostic challenge in adults due to its rarity and nonspecific symptomatology. This report presents a unique case of multiple small bowel intussusceptions in a 20-year-old female, which emphasizes the importance of clinical suspicion and advanced imaging for an accurate diagnosis.
Laparotomy closure using a surgical spoon
Authors: Bait Almal Tarek , AlDkhail Mohammad , Alharbi Norah , Abusulayman Lina 
Published: January 2024

Abstract
This study introduces the novel use of a surgical spoon in the closure of midline laparotomy and compares it to known instruments such as the malleable ribbon retractor and the fish glassman viscera retainer. The surgical spoon was implemented in multiple cases at King Faisal Specialist Hospital & Research center, to help close laparotomy incisions, specifically in hyperthermic intraperitoneal chemotherapy surgeries. Unlike currently available retainers, the spoon’s concave shape protects underlying viscera and guides the needle, during closure.
Prepubescent Electronic Cigarette Exposure Affects Sexual Motivation and Puberty in Female But Not Male Long-Evans Rats
Authors: Gale Amanda , Kelly Megan , Belfield Jasmine B , Williams Natalie , Fisher Mila , Guarraci Fay A , Stokes Jennifer A 
Published: January 2024

Abstract

Introduction
A method for delivering vaporized nicotine to animals has been developed using e-cigarette devices. The present experiment was designed to measure the effects of e-cigarette nicotine on pubertal onset and development of reproductive behavior in female and male Long-Evans rats.

Aim and Methods
Rats received daily 10-min sessions of electronic-cigarette vaporized nicotine (5% Virginia Tobacco JUUL Pods) or room air in a whole-body exposure chamber (postnatal day 28–31). Pubertal onset was monitored daily (ie, vaginal opening in females, preputial separation in males). Two weeks later, rats were tested for sexual motivation using the partner-preference paradigm, whereby subjects were given the opportunity to approach either a sexual partner or a same-sex social partner. Four weeks later, partner preference was assessed again, 10 min after rats were re-exposed to their same prepubertal treatment.

Results
We found that prepubescent electronic-cigarette vaporized nicotine disrupted puberty and sexual motivation in female but not male rats. In vaped females, vaginal opening was delayed and less time was spent with the male stimulus compared to room-air controls. In contrast, no effect of e-cigarette vapor was observed on pubertal onset or on any measures of sexual behavior in male rats. No effects were observed in either female or male rats on the second partner-preference test.

Conclusions
Prepubescent vaporized nicotine affected the development of reproductive physiology and behavior in female rats but not in male rats, whereas an additional acute exposure to nicotine vapor had no effect in either female or male adult rats.

Implications
Given the prevalence of increasingly younger users, more animal research is needed to explore the effects of e-cigarette smoking on multiple developmental systems including reproductive physiology and behavior. This model could be useful in exploring multiple behavioral and physiological endpoints in both sexes. Adjustments to the duration of exposure and control conditions will be necessary for future experiments to best model human use.
Effect of Bedaquiline and Delamanid Pharmacokinetics on Sputum Culture Conversion and Adverse Events in Drug-Resistant Tuberculosis
Authors: Bhatnagar Anuj K. , Hemanthkumar Agibothu Kupparam , Muthu Vijayalakshmi Mariappan , Vohra Vikram , Padmapriyadarsini Chandrasekaran , Ramesh Paranchi Murugesan , Taneja Gaurav , Chavan Vijay Nathu , Jeyadeepa Bharathi , Bhui Namrata Kaur , Solanki Rajesh 
Published: January 2024

Background:
Pharmacokinetic studies of bedaquiline and delamanid in patients with pre-extensively drug-resistant tuberculosis (pre-XDR TB) will help in the optimization of these drugs for both culture conversion and adverse events.

Methods:
A prospective cohort of 165 adult patients (56% male with mean [SD] age 29 [9.7] years) with pre-XDR TB was treated with bedaquiline, delamanid, clofazimine, and linezolid for 24 weeks at 5 sites in India. Bedaquiline was administered at 400 mg daily for 2 weeks followed by 200 mg thrice weekly for 22 weeks, whereas delamanid was administered at 100 mg twice daily. In 23 consenting participants at 8 and 16 weeks of treatment, blood was collected at 0, 2, 4, 5, 6, 8, 12, and 24 hours postdosing for an intense pharmacokinetic study. Pharmacokinetic parameters were correlated with sputum culture conversion and adverse events.

Results:
The mean (SD) age and weight of patients were 30 (10) years and 54 kg, respectively. The median minimum concentration (Cmin) and time–concentration curve (AUC) for bedaquiline, respectively, were 0.6 mcg/mL and 27 mcg/mL·h at week 8 and 0.8 mcg/mL and 36 mcg/mL·h at week 16, suggesting drug accumulation over time. The median Cmin and AUC of delamanid, respectively, were 0.17 mcg/mL and 5.1 mcg/mL·h at week 8 and 0.20 mcg/mL and 7.5 mcg/mL·h at week 16. Delay in sputum conversion was observed in patients with drug concentrations lower than the targeted concentration. At weeks 8 and 16, 13 adverse events were observed. Adverse events were resolved through symptomatic treatment. Body mass index was found to be significantly associated with drug-exposure parameters.

Conclusions:
Bedaquiline and delamanid when co-administered exhibit plasma drug levels within the targeted concentrations, showing an exposure–response relationship.
The brainstem’s red nucleus was evolutionarily upgraded to support goal-directed action
Authors: Krimmel Samuel R. , Laumann Timothy O. , Chauvin Roselyne J. , Hershey Tamara , Roland Jarod L. , Shimony Joshua S. , Willie Jon T. , Norris Scott A. , Marek Scott , Van Andrew N. , Monk Julia , Scheidter Kristen M. , Whiting Forrest , Ramirez-Perez Nadeshka , Metoki Athanasia , Wang Anxu , Kay Benjamin P. , Nahman-Averbuch Hadas , Fair Damien A. , Lynch Charles J. , Raichle Marcus E. , Gordon Evan M. , Dosenbach Nico U.F. 
Published: January 2024

AbstractThe red nucleus is a large brainstem structure that coordinates limb movement for locomotion in quadrupedal animals (Basile et al., 2021). The humans red nucleus has a different pattern of anatomical connectivity compared to quadrupeds, suggesting a unique purpose (Hatschek, 1907). Previously the function of the human red nucleus remained unclear at least partly due to methodological limitations with brainstem functional neuroimaging (Sclocco et al., 2018). Here, we used our most advanced resting-state functional connectivity (RSFC) based precision functional mapping (PFM) in highly sampled individuals (n = 5) and large group-averaged datasets (combinedN∼ 45,000), to precisely examine red nucleus functional connectivity.Notably, red nucleus functional connectivity to motor-effector networks (somatomotor hand, foot, and mouth) was minimal. Instead, red nucleus functional connectivity along the central sulcus was specific to regions of the recently discovered somato-cognitive action network (SCAN; (Gordon et al., 2023)). Outside of primary motor cortex, red nucleus connectivity was strongest to the cingulo-opercular (CON) and salience networks, involved in action/cognitive control (Dosenbach et al., 2007; Newbold et al., 2021) and reward/motivated behavior (Seeley, 2019), respectively. Functional connectivity to these two networks was organized into discrete dorsal-medial and ventral-lateral zones. Red nucleus functional connectivity to the thalamus recapitulated known structural connectivity of the dento-rubral thalamic tract (DRTT) and could prove clinically useful in functionally targeting the ventral intermediate (VIM) nucleus. In total, our results indicate that far from being a ‘motor’ structure, the red nucleus is better understood as a brainstem nucleus for implementing goal-directed behavior, integrating behavioral valence and action plans.
Shopping experience and consumer loyalty towards organic food stores: evaluating the moderating role of gender
Authors: Bhat Ishfaq Hussain , Gupta Shilpi , Parray Shakir Hussain , Sharma Dhiraj , Ali Faizan , Itoo Rais Ahmad 
Published: January 2024

PurposeThis study delves into the complex realm of consumer behavior by exploring the impact of distinct shopping motives, encompassing status, value and gratification, on store satisfaction within the domain of organic food retail. Moreover, it seeks to decipher the influence of perceptual disparities between male and female patrons on the intricate nexus between shopping experience and consumer loyalty within organic food stores.Design/methodology/approachA comprehensive dataset comprising responses from 400 participants was gathered and subjected to confirmatory analysis and structural equation modeling. These analytical tools were employed to dissect the data, validate the underlying research framework and unveil critical insights.FindingsThe empirical analysis, facilitated by structural equation modeling, substantiates that organic food stores prioritize the organic attribute, primarily centered on healthiness, often to the detriment of broader conceptual and social aspects. This validates the interplay between shopping experience dimensions, customer contentment, loyalty and the intent to revisit. Gender, as a moderator, exerts a discernible influence on these relationships, highlighting distinct shopping behaviors among male and female consumers when gauging the influence of shopping experience dimensions within organic food retail establishments.Practical implicationsThe implications of this research resonate deeply within the organic food retail landscape. The insights garnered provide valuable guidance to organic food retailers aiming to enhance their store ambiance and allure, thereby fostering sustained customer satisfaction. This, in turn, augments the propensity for customer loyalty and repeat patronage, a particularly pressing concern in today's fiercely competitive retail milieu. Furthermore, the study carries significant ramifications for organic food producers and governmental entities, outlining a framework for augmenting the value proposition of organic foods in alignment with customer experiential paradigms.Originality/valueIn a milieu characterized by the emergence of novel product categories and industry entrants, the study fills a critical void by investigating customer satisfaction within the broader retail food sector, with specific focus on organic food stores. Moreover, the research embarks on a pioneering exploration of the prospective trajectory of organic food stores in the Indian context, employing a marketing lens and grounded in the theory of needs satisfaction.
How do purchase preferences moderate the impact of time and price sensitivity on the purchase intention of customers on online-to-offline (O2O) delivery platforms?
Authors: Cao Yijie , Wang Jun 
Published: January 2024

PurposeThe purpose of this study is to test the impact of time and price sensitivity on consumer satisfaction and purchase intention on online-to-offline (O2O) takeout platforms and explore the moderating effect of purchase preference on time sensitivity and satisfaction, as well as price sensitivity and satisfaction, in order to guide market pricing.Design/methodology/approachA structural equation model (SEM) of customer purchase intention was constructed, and the relationships between the variables (time sensitivity, price sensitivity, satisfaction and purchase intention) were examined. The completed questionnaires of 349 respondents were collected from the Questionnaire Star platform in China. The research model and hypotheses were then tested. Analytic hierarchy procedure was used to determine the moderating effect of purchase preference. Finally, the study proposes a pricing strategy for customer-active selective services.FindingsSatisfaction positively influences purchase intention, and price sensitivity significantly increases satisfaction and further increases purchase intention; however, time sensitivity negatively affects satisfaction. Specifically, purchase preference has strongly moderated the relationship between time, price sensitivity and satisfaction. In addition, the findings show that when purchase preference is high, the effect of price sensitivity on satisfaction is stronger, suggesting the importance of purchase preference in strengthening purchase intentions. The research work recommends a pricing strategy involving value-added pricing primarily for time-sensitive customers, which can help build a high-end brand image and reduce price competition. Reduced pricing is mainly for price-sensitive customers, which is conducive to stimulating consumption within a specific time. This pricing strategy is important for adjusting market sensitivity and flexibility.Originality/valueThis research provides new ideas for related disciplines and guidance for the differentiated pricing and promotion of takeout platforms, as well as a theoretical basis for the diversified development of takeout platforms, improvement of personalized service quality and enhancement of customer stickiness. This study fills gaps in the existing literature on the moderating effect of purchase preference on time sensitivity and satisfaction and price sensitivity and satisfaction.
Gender diversity on corporate boards: importance of female traits/characteristics as perceived by university students
Authors: Lefley Frank , Trnková Gabriela , Vychová Helena 
Published: January 2024

PurposeThis study aims to contribute to the literature on board gender diversity by soliciting university students' views on several perceptions raised by academics concerning the suitability of women to serve on corporate boards. In particular, if the opinions of male students differ from those of female students, this showing any gender bias.Design/methodology/approachThe study is part of a much more comprehensive investigation into board gender diversity. It adopts a questionnaire approach, with this paper focussing on twelve research statements. Two hundred and ninety-six university students completed the questionnaires at a public university in the Czech Republic during March–April 2023. A pilot questionnaire was conducted in February 2023, resulting in minor changes being made. The data is analysed using SPSS and MedCalc® statistical software.FindingsWhilst, in some respects, it supports the literature in relation to the observations highlighted in the research statements concerning female traits/characteristics, there is unmistakable evidence of gender bias in the respondents' opinions regarding the qualities women can bring to corporate boards. Overall, this research shows a negative bias by male respondents towards the positive attributes females can bring to the boardroom. This bias may influence the selection of female directors in the future. This research suggests that the apparent discrimination against women is not just because they are female but from a perceived mismatch between inferred female characteristics and male stereotype leadership requirements. There is, however, no gender bias with respect to students' leadership aspirations.Practical implicationsThe findings of this research should help with policy-making decisions concerning the selection of future corporate board directors and help break down any negative gender selection bias. The paper adds to the discussion and debate about ethical issues related to business and broader society concerning gender diversity in senior management roles. It also adds to the political debate on the issue of legislative gender initiatives.Originality/valueThe research respondents' perceptions may well influence the decision-making process for the selection of future corporate directors. Whilst these current perceptions may, and invariably will, change over time, it is important to identify them at an early stage in the respondents' careers. This research gives a better understanding of the perceived qualities that women bring to corporate boards from an inexperienced perspective.