bluuebunny/crossref_metadata_2025_split huggingface dataset:
Iron(II) Complexes of P3‐Chain Ligands: Structural Diversity
Authors: Holczbauer Tamás , Gál Dalma , Rohonczy János , Matern Eberhard , Sattler Ewald , Bombicz Petra , Kelemen Zsolt , Kovács Ilona 
Published: October 2023

AbstractIron(II) complexes containing ligands with a R2P−P−PR2 unit were synthesized by metathesis reactions. With R=tBu, a mixture of two isomers is formed; in one of them, the terminal phosphorus binds to the Fe center (ylidic structure), while in the other one, the central P atom is linked to Fe. Starting from differently functionalized parent triphosphanes and corresponding functionalized Fe complexes, the ratio of isomers does not change. The outcome of the reaction and therefore the binding modes of the triphosphane ligands in the resulting compounds can be influenced by the size of the substituents. In the case of R=iPr a chelate complex is formed (both terminal P atoms are linked to the Fe center). Applying the mixed‐substituted triphosphane, the ylidic structure of the resulting complex is preferred. The new compounds were characterized by NMR spectroscopy in solution and single‐crystal X‐ray diffraction in solid‐state. The synthetic work was supported by DFT calculations.
The Moon‐Forming Impact and the Autotrophic Origin of Life
Authors: Mrnjavac Natalia , Wimmer Jessica L. E. , Brabender Max , Schwander Loraine , Martin William F. 
Published: October 2023

AbstractThe Moon‐forming impact vaporized part of Earth's mantle, and turned the rest into a magma ocean, from which carbon dioxide degassed into the atmosphere, where it stayed until water rained out to form the oceans. The rain dissolved CO2 and made it available to react with transition metal catalysts in the Earth's crust so as to ultimately generate the organic compounds that form the backbone of microbial metabolism. The Moon‐forming impact was key in building a planet with the capacity to generate life in that it converted carbon on Earth into a homogeneous and accessible substrate for organic synthesis. Today all ecosystems, without exception, depend upon primary producers, organisms that fix CO2. According to theories of autotrophic origin, it has always been that way, because autotrophic theories posit that the first forms of life generated all the molecules needed to build a cell from CO2, forging a direct line of continuity between Earth's initial CO2‐rich atmosphere and the first microorganisms. By modern accounts these were chemolithoautotrophic archaea and bacteria that initially colonized the crust and still inhabit that environment today.
Facilitating the Molecular Diagnosis of Rare Genetic Disorders Through Facial Phenotypic Scores
Authors: Hsieh Tzung‐Chien , Lesmann Hellen , Krawitz Peter M. 
Published: October 2023

AbstractWith recent advances in computer vision, many applications based on artificial intelligence have been developed to facilitate the diagnosis of rare genetic disorders through the analysis of patients’ two‐dimensional frontal images. Some of these have been implemented on online platforms with user‐friendly interfaces and provide facial analysis services, such as Face2Gene. However, users cannot run the facial analysis processes in house because the training data and the trained models are unavailable. This article therefore provides an introduction, designed for users with programming backgrounds, to the use of the open‐source GestaltMatcher approach to run facial analysis in their local environment. The Basic Protocol provides detailed instructions for applying for access to the trained models and then performing facial analysis to obtain a prediction score for each of the 595 genes in the GestaltMatcher Database. The prediction results can then be used to narrow down the search space of disease‐causing mutations or further connect with a variant‐prioritization pipeline. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol: Using the open‐source GestaltMatcher approach to perform facial analysis
Bayesian areal disaggregation regression to predict wildlife distribution and relative density with low‐resolution data
Authors: Murphy Kilian J. , Ciuti Simone , Burkitt Tim , Morera‐Pujol Virginia 
Published: October 2023

AbstractFor species of conservation concern and human–wildlife conflict, it is imperative that spatial population data be available to design adaptive‐management strategies and be prepared to meet challenges such as land use and climate change, disease outbreaks, and invasive species spread. This can be difficult, perhaps impossible, if spatially explicit wildlife data are not available. Low‐resolution areal counts, however, are common in wildlife monitoring, that is, the number of animals reported for a region, usually corresponding to administrative subdivisions, for example, region, province, county, departments, or cantons. Bayesian areal disaggregation regression is a solution to exploit areal counts and provide conservation biologists with high‐resolution species distribution predictive models. This method originated in epidemiology but lacks experimentation in ecology. It provides a plethora of applications to change the way we collect and analyze data for wildlife populations. Based on high‐resolution environmental rasters, the disaggregation method disaggregates the number of individuals observed in a region and distributes them at the pixel level (e.g., 5 × 5 km or finer resolution), thereby converting low‐resolution data into a high‐resolution distribution and indices of relative density. In our demonstrative study, we disaggregated areal count data from hunting bag returns to disentangle the changing distribution and population dynamics of three deer species (red, sika, and fallow) in Ireland from 2000 to 2018. We show an application of the Bayesian areal disaggregation regression method and document marked increases in relative population density and extensive range expansion for each of the three deer species across Ireland. We challenged our disaggregated model predictions by correlating them with independent deer surveys carried out in field sites and alternative deer distribution models built using presence‐only and presence–absence data. Finding a high correlation with both independent data sets, we highlighted the ability of Bayesian areal disaggregation regression to accurately capture fine‐scale spatial patterns of animal distribution. This study uncovers new scenarios for wildlife managers and conservation biologists to reliably use regional count data disregarded so far in species distribution modeling. Thus, it represents a step forward in our ability to monitor wildlife population and meet challenges in our changing world.
Coastal archaeological site visibility problems and underwater prospects in the Northern Lake Superior Basin
Authors: Boyd Matthew 
Published: October 2023

AbstractThe early to middle Holocene was marked by considerable variability in lake levels in the Lake Superior Basin due to a combination of meltwater runoff, isostatic adjustment, shifting glacial margins, and climate change. These processes likely had a large impact on the preservation and visibility of coastal archaeological sites dating from the Early Period (Paleoindian) to the Middle Period (Shield Archaic). Of particular interest is the brief interval after 9300 cal. B.P. when ancestral Lake Superior dropped to its lowest level (Houghton) and human populations may have made incursions deeper into the basin. Elsewhere in the Upper Great Lakes, this period is associated with offshore archaeological sites submerged by rising water levels later in the Holocene. New geological data from the Thunder Bay, ON, region yield exceptional insight into the paleohydrology of the Houghton phase and, hence, the underwater archaeological prospects of this low water phase in the northern Lake Superior Basin. These data indicate that the lake reached its lowest level by at least ~9100 cal. B.P. but was highly unstable, at least initially, due to a combination of climate and meltwater runoff. Early underwater sites may be confined to two short, hydrologically closed, lowstands between ~9100 and 8700 cal. B.P. and would have been impacted by at least one lake transgression. Such sites, however, may still hold better potential for organic preservation and the visibility of large cultural features compared to their terrestrial counterparts. Coastal sites occupied when the lake was hydrologically closed may be especially well‐preserved due to rapid inundation before the gradual, and generally erosional, Nipissing transgression occurred.
Legalization and retail availability of recreational marijuana and adolescent use in schools
Authors: Cil Gulcan , Winters Ken C. , Austin Sean C. , Kittelman Angus , Smolkowski Keith , Westling Erika , Seeley John R. 
Published: October 2023

AbstractLegalization of use and retail sales of recreational marijuana in U.S. states and the associated potential increase in access to marijuana and normalization of its use by adults could lead to increased use by adolescents. Studies have found that states with legal recreational marijuana have higher rates of adolescent use and frequency of use compared to states without legal use. We examined changes in student office discipline referrals (ODRs) for substance use offenses in Oregon middle and high schools before and after the legalization of recreational marijuana relative to comparison schools in other states. We found that rates of substance use related ODRs in middle schools increased by 0.14 per 100 students (30% of the mean) with legalization relative to comparison schools. This increase was moderated by the presence of a marijuana outlet within one mile of the school. We found no statistically discernible changes in high school ODRs. Marijuana use in adolescence has been linked to negative health and social consequences, including academic problems, mental health issues, and impaired driving. Potential adverse impact on adolescents and investments in school‐based prevention programs could be important considerations for policymakers and public health officials when evaluating marijuana legalization.
Binding of Protein D/E to the Surface of Rat Epididymal Sperm Before Ejaculation and After Deposition in the Female Reproductive Tract
Authors: TUBBS CHRISTOPHER E. , HALL JOSEPH C. , SCOTT ROBERT O. , CLARK VICTOR P. , HERMON TONIA L. , BAZEMORE‐WALKER CARTHENE 
Published: October 2023

ABSTRACTThe objectives of the present investigation were to study the interaction of protein D/E with the surface of rat epididymal spermatozoa and to assess its topology on the spermatozoa surface before and after deposition in the female reproductive tract. Protein D/E, a member of the cysteine‐rich secretory protein (CRISP‐1) family, has been proposed to be involved in sperm‐egg membrane fusion. In vitro competitive photoactivated cross‐linking experiments followed by sodium dodecyl sulfate‐polyacrylamide gel electrophoresis and Western blot analysis revealed that protein D/E molecules specifically interact with two surface proteins exhibiting an Mr ∼120.0 kd and ∼130.0 kd, respectively, on the sperm surface. In vitro treatment of epididymal spermatozoa with phosphatidylinositol specific‐phospholipase C revealed the release of protein D/E molecules over the head region but not the tail region of spermatozoa. Indirect immunofluorescence experiments using polyclonal antibodies generated against a highly purified protein D/E preparation demonstrated that protein D/E molecules were bound to the surface of spermatozoa recovered from the epididymal and female reproductive tracts, even after 7 hours. These results indicate that protein D/E molecules interact with specific membrane proteins, and is subsequently covalently bound to the surface of spermatozoa via a glycosyl‐phosphatidyl inositol linkage. In addition, protein D/E molecules remain covalently bound to spermatozoa after deposition in the female reproductive tract, an observation that is consistent with the proposed physiological function of the protein in the fertilization process.
Partial Characterization of Antigenic Sperm Proteins in Foxes (Vulpes vulpes)
Authors: VERDIER YANN , ROUET NELLY , ARTOIS MARC , BOUÉ FRANCK 
Published: October 2023

ABSTRACTThe aim of this work was to identify antigenic proteins on fox spermatozoa. Fox spermatozoa proteins were injected into 3 female rabbits and into 3 male and 3 female foxes. In rabbits, a rapid humoral response was observed. Using rabbit sera for Western blotting, 23 fox sperm protein bands were recognized between 10 and 110 kd. In foxes, the time course of antibody response was studied in the same manner. The number of recognized bands was maximal on day 75 for 2 foxes, on day 90 for 3 foxes, and on day 120 for 1 fox. Western blot patterns varied from one fox to another. On the whole, 25 protein bands between 10 and 110 kd were recognized. Using fluorescein isothiocyanate (FITC) labeling on fox spermatozoa with rabbit and fox sera, we showed that several antigens recognized by the antisera were located at or near the surface of the spermatozoa. By two‐dimensional electrophoresis and gel‐purification, we have selected 6 highly antigenic proteins with molecular weights of 11.4, 14.7, 16.4, 16.4, 16.8, and 16.9 kd, and isoelectric points of 6.0, 6.0, 6.2, 5.5, 5.3, and 5.8, respectively, and one antigenic protein at 97 kd with an isoelectric point of 4.3 to 4.6. The results of this study can be used to characterize these 7 antigens selected more precisely by microsequencing or mass spectrometry.
Associations between childhood adversity, psychiatric symptoms, and self‐esteem outcomes in adolescents and young adults: An experience sampling study
Authors: Mazereel Victor , Vansteelandt Kristof , Menne‐Lothmann Claudia , Decoster Jeroen , Derom Catherine , Thiery Evert , Rutten Bart P. F. , Jacobs Nele , van Os Jim , Wichers Marieke , De Hert Marc , Vancampfort Davy , van Winkel Ruud 
Published: October 2023

AbstractObjectivesSelf‐esteem and self‐esteem stability are important factors during adolescence and young adulthood that can be negatively impacted by childhood adversity and psychiatric symptoms. We examined whether childhood adversity and psychiatric symptoms are associated with decreased global self‐esteem as well as increased self‐esteem instability as measured with experience sampling method. In addition, we examined if childhood adversity moderates the association between psychiatric symptoms and self‐esteem outcomes.MethodsOur study consisted of 788 adolescents and young adults who were part of a twin pair. The twin structure was not of interest to the current study. Mean age was 16.8 (SD = 2.38, range: 14−25), 42% was male. We used a multilevel modeling approach to examine our hypotheses to account for the presence of twins in the data set.ResultsChildhood adversity and psychiatric symptoms were negatively associated with global self‐esteem (respectively standardized β = −.18, SE = 0.04, p < .0001 and standardized β = −.45, SE = 0.04, p < .0001), with a larger effect for psychiatric symptoms. Similarly, both were associated with increased self‐esteem instability (respectively standardized β = .076, SE = 0.025, p = .002 and standardized β = .11, SE = 0.021, p < .0001). In addition, interactions between childhood adversity and psychiatric symptoms on both global self‐esteem (standardized β = .06, SE = 0.01, p < .0001) and self‐esteem instability (standardized β = −.002, SE = 0.0006, p = .001) were found, showing that the negative association of psychiatric symptoms with self‐esteem outcomes is less pronounced in young people with higher levels of childhood adversity, or formulated differently, is more pronounced in young people with little or no exposure to childhood adversity.ConclusionGlobal self‐esteem and self‐esteem instability in young people are influenced by both current psychiatric symptomatology and exposure to childhood adversity. Those with more psychiatric symptoms show worse self‐esteem and higher self‐esteem instability, which is moderated by childhood adversity. For young people with high childhood adversity levels lower self‐esteem and higher self‐esteem instability are less influenced by reductions in psychiatric symptoms.
Microtubule acetylation induced by oxidative stress regulates subcellular distribution of lysosomal vesicles for amyloid‐beta secretion
Authors: Jeong Jangho , Kim Ok‐Hyeon , Shim Jaeyeoung , Keum Seula , Hwang Ye Eun , Song Seongeun , Kim Jung‐Woong , Choi Jee‐Hye , Lee Hyun Jung , Rhee Sangmyung 
Published: October 2023

AbstractExcessive production and accumulation of amyloid‐beta (Aβ) in the brain are one of the hallmarks of Alzheimer's disease (AD). Although oxidative stress is known to trigger and promote the progression of AD, the molecular relationship between oxidative stress and Aβ production is not yet fully understood. In this study, we demonstrate that microtubule acetylation induced by oxidative stress plays a critical role in Aβ production and secretion by altering the subcellular distribution of Aβ precursor protein (APP)‐containing lysosomal vesicles. Under oxidative stress, both H4‐APPSwe/Ind and HEK293T‐APPSwe/Ind cell lines showed increased microtubule acetylation and Aβ secretion. Knockdown (KD) of alpha‐tubulin N‐acetyltransferase 1 (ATAT1) by using a lentiviral shRNA not only inhibited the generation of intermediate APP fragments, such as β‐CTF and AICD, but also suppressed Aβ secretion. Oxidative stress promoted the dispersion of LAMP1‐positive vesicles to the periphery of the cell through microtubule acetylation, leading to the formation of neutralized lysosomal vesicles (NLVs), which was inhibited by ATAT1 KD. Treatment of the cells with the dynein ATPase inhibitor EHNA or downregulation of LIS1, a regulator of dynein‐mediated intracellular transport, increased the peripheral localization of NLVs and promoted Aβ secretion, whereas KD of ADP ribosylation factor like GTPase 8B showed the opposite result. ATAT1 KD in the hippocampal region of the 5×FAD AD mouse model also showed significant reductions in Aβ plaque accumulation and memory loss. Taken together, these findings suggest that oxidative stress–induced microtubule acetylation promotes the peripheral localization of lysosomal vesicles to form NLVs, thereby enhancing Aβ secretion.
Convenient and facile theoretical design strategy to amplify NLO response of N‐doped‐indolo[3,2,1‐jk]carbazole push–pullA‐π‐D‐π‐A switches
Authors: Hassan Abrar U , Li Yuchuan 
Published: October 2023

AbstractBACKGROUNDNonlinear optical (NLO) materials play a crucial role in various technological fields, making it important to develop strategies that enhance their properties. This research paper focuses on the design strategy to enhance the NLO response of indolo[3,2,1‐jk]carbazole‐based N‐doped fused‐ring electron acceptors as its five new A‐π‐D‐π‐A switches.RESULTSThe chromophores IC1–IC5 were studied for their electronic, NLO, charge transfer, UV–visible and natural bond orbital‐related features. Their energy levels were determined, with IC1 having the highest energy (3.12 eV) and IC5 the lowest energy (1.916 eV). Their corresponding maximum absorption wavelengths (λmax) were determined to range from 398 to 647 nm. Their electronegativity (x), chemical potential (μ), hardness (η), softness (σ) and electrophilicity of the chromophores were also analyzed, having values ranging from 3.00 to 3.47 eV, 47 to −3.0 eV, 0.25 to 1.39 eV, 0.36 to 2.04 eV and 3.23 to 23.81 eV, respectively. The η and σ values indicated the stability and reactivity of the chromophores, with IC1 having the lowest η and highest σ values. IC2 had the highest dipole moment (μtot) (9.23D) and hyperpolarizability (β0) of 10.323 × 10−11 esu, indicating its strong NLO response. Among all, chromophore IC1 demonstrated a robust stabilization energy by its (N1) → (C15–C17)π* transition.CONCLUSIONThe proposed theoretical design strategy successfully amplifies the NLO response of N‐doped‐indolo[3,2,1‐jk]carbazole switches to open up possibilities for the development of advanced NLO materials, paving the way for future applications in photonics, optoelectronics and other emerging technologies. © 2023 Society of Chemical Industry (SCI).
Large monochromatic components in hypergraphs with large minimum codegree
Authors: Bal Deepak , DeBiasio Louis 
Published: October 2023

AbstractA result of Gyárfás says that for every 3‐coloring of the edges of the complete graph , there is a monochromatic component of order at least , and this is best possible when 4 divides . Furthermore, for all and every ‐coloring of the edges of the complete ‐uniform hypergraph , there is a monochromatic component of order at least and this is best possible for all . Recently, Guggiari and Scott and independently Rahimi proved a strengthening of the graph case in the result above which says that the same conclusion holds if is replaced by any graph on vertices with minimum degree at least ; furthermore, this bound on the minimum degree is best possible. We prove a strengthening of the case in the result above which says that the same conclusion holds if is replaced by any ‐uniform hypergraph on vertices with minimum ‐degree at least ; furthermore, this bound on the ‐degree is best possible.
Altered Brain Function in Pediatric Patients With Complete Spinal Cord Injury: A Resting‐State Functional MRI Study
Authors: Wang Ling , Wang Shengqiang , Zheng Weimin , Yang Beining , Yang Yanhui , Chen Xin , Chen Qian , Li Xuejing , Hu Yongsheng , Du Jubao , Qin Wen , Lu Jie , Chen Nan 
Published: October 2023

BackgroundInjury to the spinal cord of children may cause potential brain reorganizations, affecting their rehabilitation. However, the specific functional alterations of children after complete spinal cord injury (CSCI) remain unclear.PurposeTo explore the specific functional changes in local brain and the relationship with clinical characteristics in pediatric CSCI patients, clarifying the impact of CSCI on brain function in developing children.Study TypeProspective.SubjectsThirty pediatric CSCI patients (7.83 ± 1.206 years) and 30 age‐, gender‐matched healthy children as controls (HCs) (8.77 ± 2.079 years).Field Strength/Sequence3.0 T/Resting‐state functional MRI (rs‐fMRI) using echo‐planar‐imaging (EPI) sequence.AssessmentAmplitude of low‐frequency fluctuation (ALFF), fractional ALFF (fALFF), and regional homogeneity (ReHo) were used to characterize regional neural function.Statistical TestsTwo‐sample t‐tests were used to compare the ALFF, fALFF, ReHo values of the brain between pediatric CSCI and HCs (voxel‐level FWE correction, P < 0.05). Spearman correlation analyses were performed to analyze the associations between the ALFF, fALFF, ReHo values in altered regions and the injury duration, sensory motor scores of pediatric CSCI patients (P < 0.05). Then receiver operating characteristic (ROC) analysis was conducted to identify possible sensitive imaging indicators for clinical therapy.ResultsCompared with HCs, pediatric CSCI showed significantly decreased ALFF in the right postcentral gyrus (S1), orbitofrontal cortex, and left superior temporal gyrus (STG), increased ALFF in bilateral caudate nucleus, thalamus, middle cingulate gyrus, and cerebellar lobules IV‐VI, and increased ReHo in left cerebellum Crus II and Brodmann area 21. The ALFF value in the right S1 negatively correlated with the pinprick and light touch sensory scores of pediatric CSCI. When the left STG was used as an imaging biomarker for pediatric CSCI, it achieved the highest area under the curve of 0.989.ConclusionsThese findings may provide potential neural mechanisms for sensory motor and cognitive‐emotional deficits in children after CSCI.Evidence Level2Technical EfficacyStage 5