bluuebunny/crossref_metadata_2025_split huggingface dataset:
Single Molecule Conductance of Anthraquinone‐Based Molecular Wire: Effect of the Anchoring Group
Authors: Vavrek František , Gasior Jindřich , Šebera Jakub , Valášek Michal , Mészáros Gábor , Hromadová Magdaléna 
Published: December 2024

AbstractFunctional molecular electronics require molecular design that provides integrity and stability. In this work, we explored two types of single molecule devices differing in anchoring to the conducting leads. Single molecule conductance was measured by STM break junction method and the molecular conductor was composed of the redox active anthraquinone center (switching element) containing either 4‐pyridyl or p‐phenylene thioacetate anchoring groups. The experimental results were supported by quantum chemical charge transport calculations. Molecular junctions containing 4‐pyridyl anchors displayed two stable configurations with conductance values of 4.9 nS and 20 pS, respectively. Molecules anchored via p‐phenylene thioacetate groups led to one main junction configuration with conductance of 0.1 nS. Junctions employing 4‐pyridyl anchoring groups had higher junction formation probability, which in combination with lower conductance makes them better candidates for switching purposes.
Exploring the Duality of Perceptions: Insights into Uncertainties, Aversion and Appreciation Towards Algorithmic HRM
Authors: Tandon Anushree , Dhir Amandeep , Malik Ashish , Budhwar Pawan , Kaur Puneet 
Published: December 2024

ABSTRACTThe human resource management (HRM) function has witnessed the rapid integration of algorithms into incumbent processes; however, significant employee resistance and aversion to algorithmic decision‐making have also been reported. Research on algorithmic HRM practices indicates an underlying duality of perceptual responses by HRM professionals towards this technology. We seek to understand how HRM professionals experience algorithmic HRM use and determine if there are bright sides to its organizational integration. We undertake a qualitative, open‐ended study based on written responses to open‐ended questions from 58 respondents in the United Kingdom and the United States of America. The data were thematically analyzed using grounded theory, which revealed four themes representing HRM professionals' overarching perspectives on why algorithmic HRM precipitates aversion or appreciation. The first two themes highlight HRM professionals' perceived subjective uncertainty regarding algorithmic HRM and its perceived negative effects on the organization. The third theme acknowledges the positive effect of algorithmic HRM, and the final theme discusses three critical coping strategies (embrace, avoid, and collaborate) that HRM professionals adopt to counteract their experienced fears. Our findings suggest that HRM professionals adopt a cautiously fearful rather than a wholly adverse outlook towards algorithmic HRM, wherein aversion and appreciation appear to emerge simultaneously. We contend this existence of a duality of perceptual responses to algorithmic HRM may be a precursor to setting a harmonious collaboration between humans and algorithms in the HRM domain, contingent on appropriate levels of oversight and governance. Implications for theory and managerial practice are also discussed.
CustOmized versus standard fundal‐height measuREments for the detection of small‐for‐gestational age fetuses in low‐risk women (CORE study): A randomized controlled trial
Authors: Ahmed Farhat ul Ain , Hanook Sharoon , Ismail Fatima , Shah Fatima , Arsalan Maaz , Lopez Garcia‐Tinajero Maria F. , Martinez‐Egea Judit , Figueras Francesc 
Published: December 2024

AbstractObjectiveTo compare the proportion of small‐for‐gestational age (SGA) infants detected by routine care versus a growth assessment protocol using customized fundal‐height charts in low‐risk pregnancies of a developing country.MethodsAn open label randomized controlled trial was conducted at the Fatima Memorial Hospital (NUR International University, Pakistan). Low‐risk pregnant women were randomly allocated to routine care (Mcdonald's rule for fundal height measurements followed by referral for scan with discrepancy of 3 cm from gestational age and a contingency third trimester scan) or the growth assessment protocol (GAP) developed by the Perinatal Institute (UK), which consists of the use of gestation‐related optimal weight (GROW) customized charts, alongside management protocols for suspected SGA fetuses, audit tools and training. The primary prespecified outcome was the detection of SGA (defined as a birthweight <10th centile).ResultsOf the 2535 eligible women, 1884 (74%) were randomized (942 to standard care and 942 to GAP). After loss‐to‐follow‐up, 1755 women were analyzed (874 in the standard measurement group and 881 in the GAP group). The detection rate of SGA infants was higher in the GAP group (83.2% [95% CI: 74.4%–89.9%] vs. 29% [95% CI: 20.4%–38.9%], P < 0.001), at the cost of an increased false positive rate (10.4% [95% CI: 8.3%–12.7%] vs. 1.4% [95% CI: 0.7%–2.5%], P < 0.001). The diagnostic odds ratio (positive likelihood ratio/negative likelihood ratio) was 42.6 (95% CI: 24.1–75.4) in the GAP group and 28.3 (95% CI:13.6–59.1) in the standard care group.ConclusionIn low‐risk pregnant women of a developing country, a growth assessment protocol based on customized fundal‐height charts is superior to standard measurements for the antenatal detection of SGA in newborns.
Native tissue repair of the female pelvic floor: A four‐level surgical concept
Authors: Otcenasek Michal , Borycka Katarzyna , Herman Hynek 
Published: December 2024

AbstractThis review describes our experience with native tissue repair of the visceral pelvic fascia, the perineum, and anal sphincters in women. We propose that complex repair of the pelvic floor should consider vaginal support in all three anatomical Delancey's levels, together with more caudal structures—the external and internal anal sphincters. Original illustrations were created to facilitate the understanding of the complex anatomy of common multi‐level defects. As the integrity of connective tissue adds to various aspects of the delicate function of the female pelvic floor, it is complete and as perfect as possible repair is a common goal of both gynecologists and colorectal specialists.
Neonatal outcomes between trial of labor and cesarean delivery for extreme preterm infants
Authors: Gilboa Itamar , Gabbai Daniel , Yogev Yariv , Attali Emmanuel , Zaltz Noa , Herzlich Jacky , Hiersch Liran , Lavie Michael 
Published: December 2024

AbstractObjectiveTo compare adverse neonatal outcomes between trial of vaginal delivery and upfront cesarean delivery for singleton infants born at 24 to 28 weeks of gestation.MethodsThis is a retrospective cohort study that was conducted at a university‐affiliated tertiary medical center between 2011 and 2022, involving singleton pregnancies delivered between 240/7 and 276/7 weeks of gestation. Participants were divided into two groups based on their intended mode of delivery: a trial of labor (TOL) group and an upfront cesarean delivery (CD) group. The primary outcome was defined as neonatal death. The secondary outcome was defined as any of the following: intraventricular hemorrhage, necrotizing enterocolitis, bronchopulmonary dysplasia, neonatal sepsis, periventricular leukomalacia, disseminated intravascular coagulation, umbilical cord arterial PH <7.1, or use of postpartum mechanical ventilation. Analyses were performed using an intention‐to‐treat approach.ResultsOverall, 199 patients were enrolled, with 64 in the TOL group and 135 in the upfront CD group. Neonatal deaths occurred in 48 cases (24.2%) across the entire cohort, with no significant difference between the TOL (18.8%) and upfront CD (26.7%) groups (P = 0.223). Rates of other composite adverse outcome were comparable between the groups (26.6% vs. 31.9%, P = 0.448), respectively. A sub‐analysis comparing patients with pre‐existing contraindications for vaginal delivery, without maternal or fetal indications for delivery, to those in the TOL group who experienced spontaneous onset of labor showed no differences in primary or secondary outcomes between the groups.ConclusionWe found no difference in adverse neonatal outcomes between TOL and upfront CD for singletons born at 24–28 weeks gestation.
Legal challenges in expanding the provider base for abortion in Asia
Authors: Jain Dipika 
Published: December 2024

AbstractIn Asia as elsewhere, strict regulations on who is authorized to provide abortion services and to prescribe or dispense medical abortion adversely impact access, especially for marginalized persons and residents in remote areas. The WHO's 2022 Abortion Care Guideline provides an important framework for states to formulate and implement policies to serve sexual and reproductive rights of access to abortion services. The Guideline calls for decriminalization of abortion services to increase authorization to provide abortion services and to promote self‐managed medical abortion. This review examines the legal and policy frameworks of Bangladesh, India, Indonesia, Malaysia, and Nepal against the WHO Guideline. Legal and policy reforms successfully introduced in Bangladesh and Nepal to grow the provider base allow healthcare systems to expand safe abortion. This review outlines further challenges where the WHO Guideline on decriminalization and availability of medical abortion is disregarded and advocates a reproductive justice approach promoting egalitarian access to services even among the most marginalized.
Genomic features of lichen‐associated black fungi
Authors: Keller Victoria , Calchera Anjuli , Otte Jürgen , Schmitt Imke 
Published: December 2024

AbstractLichens are mutualistic associations consisting of a primary fungal host, and one to few primary phototrophic symbiont(s), usually a green alga and/or a cyanobacterium. They form complex thallus structures, which provide unique and stable habitats for many other microorganisms. Frequently isolated from lichens are the so‐called black fungi, or black yeasts, which are mainly characterized by melanized cell walls and extremophilic lifestyles. It is presently unclear in which ways these fungi interact with other members of the lichen symbiosis. Genomic resources of lichen‐associated black fungi are needed to better understand the physiological potential of these fungi and shed light on the complexity of the lichen consortium. Here, we present high‐quality genomes of 14 black fungal lineages, isolated from lichens of the rock‐dwelling genus Umbilicaria. Nine of the lineages belong to the Eurotiomycetes (Chaetothyriales), four to the Dothideomycetes, and one to the Arthoniomycetes, representing the first genome of a black fungus in this class. The PacBio‐based assemblies are highly contiguous (5–42 contigs per genome, mean coverage of 79–502, N50 of 1.0–7.3 mega‐base‐pair (Mb), Benchmarking Universal Single‐Copy Orthologs (BUSCO) completeness generally ≥95.4%). Most contigs are flanked by a telomere sequence, suggesting we achieved near chromosome‐level assemblies. Genome sizes range between 26 and 44 Mb. Transcriptome‐based annotations yielded ~11,000–18,000 genes per genome. We analyzed genome content with respect to repetitive elements, biosynthetic genes, and effector genes. Each genome contained a polyketide synthase gene related to the dihydroxynaphthalene‐melanin pathway. This research provides insights into genome content and metabolic potential of these relatively unknown, but frequently encountered lichen associates.
Additive CHARMM Force Field for Pterins and Folates
Authors: Balduzzi Elsa , Yin Wenlu , Lambry Jean‐Christophe , Myllykallio Hannu , Aleksandrov Alexey 
Published: December 2024

ABSTRACTFolates comprise a crucial class of biologically active compounds related to folic acid, playing a vital role in numerous enzymatic reactions. One‐carbon metabolism, facilitated by the folate cofactor, supports numerous physiological processes, including biosynthesis, amino acid homeostasis, epigenetic maintenance, and redox defense. Folates share a common pterin heterocyclic ring structure capable of undergoing redox reactions and existing in various protonation states. This study aimed to derive molecular mechanics (MM) parameters compatible with the CHARMM36 all‐atom additive force field for pterins and biologically important folates, including pterin, biopterin, and folic acid. Three redox forms were considered: oxidized, dihydrofolate, and tetrahydrofolate states. Across all protonation states, a total of 18 folates were parameterized. Partial charges were derived using the CHARMM force field parametrization protocol, based on targeting reference quantum mechanics monohydrate interactions, electrostatic potential, and dipole moment. Bonded terms were parameterized using one‐dimensional adiabatic potential energy surface scans, and two‐dimensional scans to parametrize in‐ring torsions associated with the puckering states of dihydropterin and tetrahydropterin. The quality of the model was demonstrated through simulations of three protein complexes using optimized and initial parameters. These simulations underscored the significantly enhanced performance of the folate model developed in this study compared to the initial model without optimization in reproducing structural properties of folate–protein complexes. Overall, the presented MM model will be valuable for modeling folates in various redox states and serve as a starting point for parameterizing other folate derivatives.
Optimization and kinetic study of nitrate removal from aqueous solution using tea waste
Authors: Xuan Liew Lih , Yeong Yin Fong 
Published: December 2024

AbstractBACKGROUNDNitrate contamination in groundwater poses significant risks to public health and the environment worldwide. This study explores the optimized use of tea waste, a byproduct of tea extraction and consumption, as an adsorbent for the removal of nitrate from aqueous solutions.RESULTSScanning electron microscopy and Brunauer–Emmett–Teller (BET) analysis revealed that tea waste has irregular cluster cavities and visible pore formations, indicating numerous active sites for nitrate adsorption. The specific surface area, total pore volume, and pore diameter were found to be 2.4914 m2 g−1, 0.0036 cm3 g−1, and 9.8077 nm, respectively. A total of 20 adsorption experiments were conducted based on conditions recommended by a statistical tool using Design‐Expert 13.0 software. The data showed a strong fit to a quadratic model, with a significant P‐value of 0.0109 and a high determination coefficient (R2 = 0.9327). Using response surface methodology, the study achieved a maximum nitrate removal efficiency of 84.49% under optimal conditions, which included an initial nitrate concentration of 50 mg L−1, an adsorbent weight of 0.706 g, and a contact time of 15 min. Further analysis of adsorption isotherms and kinetics revealed that the Freundlich isotherm (R2 = 0.9556) and the pseudo‐second‐order kinetic model (R2 = 0.9454) best described the experimental data.CONCLUSIONThese findings indicate that tea waste is an effective and sustainable adsorbent for mitigating nitrate contamination in aqueous solutions, offering a promising approach to address water quality challenges globally. © 2024 Society of Chemical Industry (SCI).
Development of the Dutch translational knowledge agenda for inherited metabolic diseases
Authors: Hieltjes I. J. , van der Lee J. H. , Groenendijk M. C. , van Haaften G. , van Hasselt P. M. , Lunsing R. J. , van Prooijen G. J. J. , de Ruiter E. M. , van Spronsen F. J. , Verhoeven‐Duif N. M. , de Vreugd A. , Wagenmakers M. , Zweers H. , Dekker H. , Waterham H. R. , van Karnebeek C. D. , Wanders R. J. A. , Wevers R. A. 
Published: December 2024

AbstractBackgroundInherited metabolic diseases (IMDs) may have considerable implications for patients and their families. Despite their individual rarity, covering a spectrum of over 1800 distinct diseases, the diseases collectively exert a significant impact, with often lifelong disabilities. The United for Metabolic Diseases consortium was established to catalyze research with translation into the best possible care.AimTo generate a translational knowledge agenda, which identifies and prioritizes research questions, directly relevant to patient care or for IMD patients and their families.Methods and ResultsFollowing a process established by the Knowledge Institute of the Dutch Association of Medical Specialists, we generated a comprehensive translational knowledge agenda for IMDs. A multidisciplinary steering committee, composed of 12 diverse metabolic experts collected research questions through an online questionnaire using snowballing. The 462 proposed questions were categorized and prioritized during a meeting attended by 22 representatives of all stakeholder groups. The resulting top 10 research questions cover multiple themes, i.e. prediction of disease progression, development of novel tools, mechanistic insights, improved diagnostics, therapeutic integration of multi‐omics techniques, assessment of impact on daily life, expanding treatment avenues, optimal study designs, effect of lifestyle interventions, and data utilization using FAIR principles.DiscussionThis collective endeavor reflects the collaborative spirit needed for rare disease research. This knowledge agenda will guide funding directions and applications but will also boost interdisciplinary collaboration to push the field of IMDs research forward in a renewed UMD consortium. Patient engagement, transparency, and a comprehensive approach make this knowledge agenda a pivotal step toward addressing the pressing research needs and priorities in this domain.
Estimates of HIV Incidence, Prevalence, and Mortality in China 2018
Authors: Chen Fangfang , Li Dongmin , Tang Houlin , Ge Lin , Cui Yan , Li Peilong , Cai Chang , Qin Qianqian , Jin Yichen , Qu Shuquan , Liu Zhongfu , Shao Yiming , Wu Zunyou , Han Mengjie , Lv Fan 
Published: December 2024

ABSTRACTA thorough and precise comprehension understanding of the HIV epidemic is crucial for effective HIV prevention and control. This study aimed to update the estimates of the overall HIV burden in China in 2018 and to assess the trends of HIV prevalence, incidence, and mortality from 1985 to 2018. The Estimation and Projection Package (EPP)/Spectrum software was utilized for estimation, a method highly recommended by UNAIDS. Data were collected from more than 1800 HIV sentinel surveillance sites, population‐based seroprevalence surveys, and HIV screening of antenatal clinics and pre‐marital medical check‐ups across the country. Assumptions about age and sex were used to adapt the parameters of disease progression, including CD4 progression rates and mortality rates for individuals on and off antiretroviral therapy (ART). Joinpoint (version 4.7.0.0) was used to analyze the trends of prevalence, incidence, mortality, and fatality rates from 1985 to 2018. In 2018, the total number of people living with HIV (PLWH) adults in China was estimated to be 1.23 million, corresponding to approximately 106.5/100 000 in the country. A total of 71.8% of adult PLWH were men. Over half of PLWH (58.6%) were infected through heterosexual contact, about one‐third (30.2%) through male‐to‐male transmission, 9.0% through IDU, and 2.3% due to former plasma donation. HIV incidence in adults reached its first small peak in 1992 with 52 400 new infections (95% confidence interval: 2700–920 000). After a brief period of rapid decline between 1992 and 1994, the annual number of new infections among adults increased again and remained relatively stable at 81 000 (95% uncertainty interval [UI]: 60 000–105 000) in 2018. In recent years, the number of new infections through blood donation has been eliminated, and the number of infections through injecting drug use has been kept low. Sexual contact became the predominant transmission route, while casual sexual contact became increasingly common. Overall, HIV mortality has been steadily increasing and has recently begun to decline during the period of 2012–2018. The number of deaths from HIV/AIDS in 2018 was approximately 35 000 (95% UI: 30 000–41 000). The number of estimated PLWH in China has exceeded one million, due to the ongoing occurrence of new infections and longer survival rates. HIV transmission through blood products has been eradicated. Casual sex has become a significant mode of transmission. It is recommended to enhance the implementation of strategies and measures for sexual communication in the general population and to bolster multidisciplinary research.
Quantifying the Evolution of Extreme Drought Under Climate Change and Its Impacts on Vegetation Productivity Over the Hai River Basin of China
Authors: Yao Tingting , Liu Suxia , Hu Shi , Mo Xingguo 
Published: December 2024

ABSTRACTThere has been increasing attention paid to the effects of drought, especially extreme drought, on vegetation productivity under climate change. However, there are still challenges in quantifying the variations and the adverse effect of extreme drought on vegetation productivity at a regional scale within the context of historical climate change. This study quantified changes in the characteristics of extreme droughts and their effects on vegetation productivity in the Hai River Basin (HRB) of China, using factual climate (with climate trends) and counterfactual climate (detrended) data from the ISIMIP3a project. Standardised Precipitation Evapotranspiration Index (SPEI) and Run theory were utilised to determine characteristic factors (drought frequency, duration, severity, intensity and peak) under climate change. By comparing factual and counterfactual forcing simulations, the detected changes in characteristic factors were attributed to climatic trends. The negative effects of extreme droughts on gross primary productivity (GPP) were quantified. Results showed that there were more serious extreme drought events that occurred in HRB from 1901 to 2019 under factual climate than those under counterfactual climate. The difference was exacerbated in the late stages (1980–2019) over most of the basin. A deceleration was found in the rising pattern of GPP over the last four decades, exacerbating the adverse effects of extreme droughts on GPP under climate change. Compared to those during 1982–2000, GPP experienced further losses related to extreme droughts during 2000–2018 at a rate of 2°gC°m−2°day−1. Furthermore, extreme drought‐related GPP losses were most pronounced in summer, indicating that vegetation was more sensitive to extreme droughts during this season. These findings enhance our understanding of historically observed trends of extreme drought and suggest that more strategies should be implemented to protect vegetation from the increasing trends of extreme drought.