bluuebunny/crossref_metadata_2025 huggingface dataset:
Something old, something borrowed: Admixture and adaptation in human evolution
Authors: Dannemann Michael , Racimo Fernando
Published: March 2018

Almost a decade ago, the sequencing of ancient DNA from archaic humans - Neanderthals and Denisovans - revealed that modern and archaic humans interbred at least twice during the Pleistocene. The field of human paleogenomics has now turned its attention towards understanding the nature of this genetic legacy in the gene pool of present-day humans. What exactly did modern humans obtain from interbreeding with Neanderthals and Denisovans? Were introgressed genetic material beneficial, neutral or maladaptive? Can differences in phenotypes among present-day human populations be explained by archaic human introgression? These questions are of prime importance for our understanding of recent human evolution, but will require careful computational modeling and extensive functional assays before they can be answered in full. Here, we review the recent literature characterizing introgressed DNA and the likely biological consequences for their modern human carriers. We focus particularly on archaic human haplotypes that were beneficial to modern humans as they expanded across the globe, and on ways to understand how populations harboring these haplotypes evolved over time.
Marine environmental heterogeneity detected from the sky helps to estimate biodiversity hotspots across the food web.
Authors: Soccodato Alice , Kaschner Kristin , Garilao Cristina , Alvain Severine , D'Ovidio Francesco
Published: March 2018

Here we demonstrate how to globally detect regions of high plankton diversity (the lower levels of the trophic chain) and also higher level consumers' diversity using satellite information of 'fluid dynamical niches' characterized by spatially and temporally different dominant plankton communities. The higher the spectral variability, the higher is the species community diversity, occupying different niches, regardless of the taxonomic group under consideration. Spectral heterogeneity is expected to be related to environmental heterogeneity and therefore is used as a powerful proxy of biodiversity. We calculate a diversity proxy using the PHYSAT algorithm on ocean color data as the heterogeneity of the water masses that it detects already integrate, in an explicit or implicit manner, the main information about the pigment, the size and the extruded compounds of the plankton and the biological meaningful physic-chemical characteristics of the water masses where the community develops. This study overcomes the classic problems of fragmented and heterogeneous information, combining biological and environmental context at different scales and making use of large-scale biodiversity databases combined with niche/trophic models and species distribution models (i.e. AQUAMAPS, ECCO2-Darwin, Seapodym). Biodiversity hotspots of consumers result significantly positively related with the remote sensed diversity of primary producers, top predators included.
Has Dreissena polymorpha, an older immigrant in a coastal Baltic lagoon, responded to appearance of a new non-indigenous dreissenid?
Authors: Wawrzyniak-Wydrowska Brygida , Skrzypacz Anna , Wozniczka Adam , Radziejewska Teresa
Published: March 2018

Although a non-indigenous species, Dreissena polymorpha (zebra mussel) has constituted a constant and abundant component of the Szczecin Lagoon biota. A congeneric dreissenid, D. rostriformis bugensis (quagga), was first recorded in the north of the Lagoon in 2014, already in abundance. In summer 2015, the quagga dominated over the zebra mussel in abundance and biomass. Quagga individuals there were much larger than those of D. polymorpha, while elsewhere in the Lagoon the zebra mussel still dominated the dreissenid assemblages. In summer 2016, the population structure of D. r. bugensis was substantially modified and its abundance was greatly reduced. D. polymorpha became the dominant again. In terms of biomass, after the initial domination, D. r. bugensis biomass declined substantially. The zebra mussel, although represented mostly by small individuals, has become a biomass dominant too on account of its high abundance. As of mid-2016, there has been no clear peak (evidencing the appearance of juveniles) in the quagga size distribution. The recent dreissenid samples show a large share of empty quagga shells, an effect not observed earlier. Therefore, it is plausible that the older immigrant, so far at least, has outcompeted the newcomer.
Topoisomerase VI senses and exploits both DNA crossings and bends to facilitate strand passage
Authors: Wendorff Timothy J , Berger James M
Published: March 2018

Type II topoisomerases manage DNA supercoiling and aid chromosome segregation using a complex, ATP-dependent duplex strand passage mechanism. Type IIB topoisomerases and their homologs support both archaeal/plant viability and meiotic recombination. Topo VI, a prototypical type IIB topoisomerase, comprises two Top6A and two Top6B protomers; how these subunits cooperate to engage two DNA segments and link ATP turnover to DNA transport is poorly understood. Using multiple biochemical approaches, we show that Top6B, which harbors the ATPase activity of topo VI, recognizes and exploits the DNA crossings present in supercoiled DNA to stimulate subunit dimerization by ATP. Top6B self-association in turn induces extensive DNA bending, which is needed to support duplex cleavage by Top6A. Our observations explain how topo VI tightly coordinates DNA crossover recognition and ATP binding with strand scission, providing useful insights into the operation of type IIB topoisomerases and related meiotic recombination and GHKL ATPase machineries.
Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme
Authors: Zhang Zhening , Liang Wenguang G , Bailey Lucas J , Tan Yong Zi , Wei Hui , Wang Andrew , Farcasanu Mara , Woods Virgil A , McCord Lauren A , Lee David , Shang Weifeng , Deprez-Poulain Rebecca , Deprez Benoit , Liu David R , Koide Akiko , Koide Shohei , Kossiakoff Anthony A , Li Sheng , Carragher Bridget , Potter Clinton S , Tang Wei-Jen
Published: March 2018

Insulin degrading enzyme (IDE) plays key roles in degrading peptides vital in type two diabetes, Alzheimer's, inflammation, and other human diseases. However, the process through which IDE recognizes peptides that tend to form amyloid fibrils remained unsolved. We used cryoEM to understand both the apo- and insulin-bound dimeric IDE states, revealing that IDE displays a large opening between the homologous ~55 kDa N- and C-terminal halves to allow selective substrate capture based on size and charge complementarity. We also used cryoEM, X-ray crystallography, SAXS, and HDX-MS to elucidate the molecular basis of how amyloidogenic peptides stabilize the disordered IDE catalytic cleft, thereby inducing selective degradation by substrate-assisted catalysis. Furthermore, our insulin-bound IDE structures explain how IDE processively degrades insulin by stochastically cutting either chain without breaking disulfide bonds. Together, our studies provide a mechanism for how IDE selectively degrades amyloidogenic peptides and offers structural insights for developing IDE-based therapies.
Multi-view light-sheet imaging and tracking with the MaMuT software reveals the cell lineage of a direct developing arthropod limb
Authors: Wolff Carsten , Tinevez Jean-Yves , Pietzsch Tobias , Stamataki Evangelia , Harich Benjamin , Guignard Léo , Preibisch Stephan , Shorte Spencer , Keller Philipp J , Tomancak Pavel , Pavlopoulos Anastasios
Published: March 2018

During development, coordinated cell behaviors orchestrate tissue and organ morphogenesis. Detailed descriptions of cell lineages and behaviors provide a powerful framework to elucidate the mechanisms of morphogenesis. To study the cellular basis of limb development, we imaged transgenic fluorescently-labeled embryos from the crustacean Parhyale hawaiensis with multi-view light-sheet microscopy at high spatiotemporal resolution over several days of embryogenesis. The cell lineage of outgrowing thoracic limbs was reconstructed at single-cell resolution with new software called Massive Multi-view Tracker (MaMuT). In silico clonal analyses suggested that the early limb primordium becomes subdivided into anterior-posterior and dorsal-ventral compartments whose boundaries intersect at the distal tip of the growing limb. Limb-bud formation is associated with spatial modulation of cell proliferation, while limb elongation is also driven by preferential orientation of cell divisions along the proximal-distal growth axis. Cellular reconstructions were predictive of the expression patterns of limb development genes including the BMP morphogen Decapentaplegic.
Oligodendrocytes control potassium accumulation in white matter and seizure susceptibility
Authors: Larson Valerie A , Mironova Yevgeniya , Vanderpool Kimberly G , Waisman Ari , Rash John E , Agarwal Amit , Bergles Dwight E
Published: March 2018

The inwardly rectifying K+ channel Kir4.1 is broadly expressed by CNS glia and deficits in Kir4.1 lead to seizures and myelin vacuolization. However, the role of oligodendrocyte Kir4.1 channels in controlling myelination and K+ clearance in white matter has not been defined. Here, we show that selective deletion of Kir4.1 from oligodendrocyte progenitors (OPCs) or mature oligodendrocytes did not impair their development or disrupt the structure of myelin. However, mice lacking oligodendrocyte Kir4.1 channels exhibited profound functional impairments, including slower clearance of extracellular K+ and delayed recovery of axons from repetitive stimulation in white matter, as well as spontaneous seizures, a lower seizure threshold, and activity-dependent motor deficits. These results indicate that Kir4.1 channels in oligodendrocytes play an important role in extracellular K+ homeostasis in white matter, and that selective loss of this channel from oligodendrocytes is sufficient to impair K+ clearance and promote seizures.
A revision ofHaematodesLaporte andWeiserianumBernhauer (Coleoptera: Staphylinidae: Staphylininae: Xanthopygina)
Authors: Brunke Adam J. , Chatzimanolis Stylianos
Published: March 2018

The species of poorly known but charismatic generaHaematodesLaporte, 1835 andWeiserianumBernhauer, 1927 are revised.Weiserianumsyn. nov.is considered a junior synonym ofHaematodes, withHaematodes kuntzeni(Scheerpeltz, 1936)comb. nov.Weiserianum woltersiBernhauer, 1927syn. nov.is treated as a synonym ofHaematodes tenuipesKraatz, 1858.Haematodes myterossp. nov., is described from Paraguay and Brazil. As the type series ofHaematodes bicolorLaporte, 1835 is considered lost, a neotype, selected from the original type locality is designated. We also designate a lectotype forH. tenuipesKraatz, 1858 to stabilize nomenclature for this species, which is similar toH. myteros. As far as known,Haematodesis restricted to the southern Neotropical region and may be nest parasites withinAcromyrmexandAttaant nests as are species of the related genusScariphaeus, but no direct observations are yet available. We provide a key to the four known species ofHaematodesand illustrate their diagnostic features.
Cardiovascular Risks With SGLT2 Inhibitors in Clinical Practice Among Patients With Type 2 Diabetes
Authors: Su Hsuan-Yu , Yang Chen-Yi , Lee Yu-Hsuan , Su Pei-Fang , Liu Yi-Chia , Ou Huang-Tz
Published: October 2024

Importance

Cardiovascular disease (CVD) can be recurrent during type 2 diabetes (T2D) progression in this aging population. The effectiveness of sodium-glucose cotransporter 2 inhibitor (SGLT2i) therapy on total (ie, first and subsequent) CVD among patients with T2D in clinical practice remains uncertain.

Objective

To analyze the comparative association of SGLT2i vs dipeptidyl peptidase 4 inhibitor (DPP4i) therapy with total CVD among patients with T2D in clinical practice.

Design, Setting, and Participants

This retrospective cohort study used electronic medical records at the National Cheng Kung University Hospital, a leading medical center in Taiwan, from 2015 through 2021. Adult patients with T2D who initiated first use of the study drugs from 2016 through 2019, with up to 6 years of follow-up, were identified.

Main Outcomes and Measures

The primary outcomes included total composite CVD events and individual CVD subtypes (ie, atrial fibrillation, coronary heart disease, heart failure, stroke, myocardial infarction, and transient ischemic attack). A shared frailty model analysis was used to assess the association of treatment with repeat CVD events. Data from patients at high risk for CVD recurrence were further analyzed. Data were analyzed from September 1, 2022, to December 31, 2023.

Results

Overall, 8384 patients with T2D were identified (mean [SD] age, 63.7 [12.4] years; 4645 [55.4%] male). A total of 1632 propensity score–matched pairs of SGLT2i (mean [SD] age, 57.8 [12.0] years; 673 [41.2%] female and 959 [58.8%] male) and DPP4i (mean [SD] age, 58.2 [12.9] years; 655 [40.1%] female and 977 [59.9%] male) users were included. SGLT2i was associated with reduced total CVD risk vs DPP4i therapy (hazard ratio [HR], 0.82 [95% CI, 0.69-0.98]) but not the first CVD event (with the use of SGLT2i therapy were more prominent for patients at high risk of CVD (ie, HR, 0.70 [95% CI, 0.62-0.80] for individuals with estimated glomerular filtration rate lower than 60 mL/min/1.73 m2; HR, 0.70 [95% CI, 0.64-0.78]; for individuals having any diabetes-related complications; and HR, 0.72 [95% CI, 0.65-0.80] for individuals with a history of CVD) compared with the overall cohort. Among patients at high risk of CVD, greater reduced total CVD burden associated with SGLT2i therapy was observed for women vs men (eg, HR, 0.59 [95% CI, 0.49-0.72] in the subgroup with CVD history).

Conclusions and Relevance

In this cohort study of patients with T2D, the use of SGLT2is vs DPP4is was associated with reduced total cardiovascular burden, suggesting that long-term use of this therapy may optimize treatment benefit among patients with chronic CVD. The SGLT2i-associated benefit among patients with high risk of CVD encourages the prioritization of SGLT2i use for these vulnerable individuals.
(4+3) Cycloadditions of Allylic and Related Cations
Authors: Harmata Michael , Tu Jianzhuo , Clark Madison M.
Published: October 2024

The reaction of allylic cations with 1,3‐dienes is formally equivalent to the Diels–Alder reaction but leads to seven‐membered rings. An allylic cation contains 2 pi electrons, and is thus precisely analogous to an alkene and, like the latter, can function as a dienophile. The substituent at the central carbon of the allylic cation serves to terminate the reaction. Most often, this substituent is an oxyanion or a silyl ether, but other groups have been used. These (4+3) cycloadditions can proceed via mechanisms that range from stepwise to concerted. Diastereoselectivity, regioselectivity, and enantioselectivity have all been achieved, though there are still opportunities for the development of new reactions in this area. Asymmetric catalysis and enzymatic catalysis of such reactions is in its infancy. More recent advances center on cations that are related to benzylic cations but involve electron rich heterocycles such as furans, indoles, thiophenes and related structures. This chapter covers advances in (4+3) cycloadditions of allylic and related cations from 1997 to 2017, with supplemental references added to bring the work up to date through 2023. It illustrates both the growth in technical progress and theoretical understanding of this reaction during that time.
Adopting Buffer Layer for Improving Signal‐to‐Noise Ratio of Broadband Photomultiplication Type Organic Photodetectors
Authors: Yang Kaixuan , Zhao Xingchao , Wang Bingzhe , Ma Xiaoling , Lu Lifang , Wang Jian , Xing Guichuan , Zhang Fujun
Published: October 2024

The photomultiplication type organic photodetectors (PM‐OPDs) are prepared with structure of ITO/PNDIT‐F3N/F8BT/Y6‐1O:P3HT (100:3, wt/wt)/Al, containing hole traps formed with P3HT surrounded by Y6‐1O in active layers. The PM‐OPDs exhibit external quantum efficiency (EQE)>100% in the spectral response range from 310 to 910 nm, resulting from electron tunneling injection assisted by trapped hole near ITO electrode. The incorporation of F8BT buffer layers can induce the markedly decreased dark current density (JD) due to the large electron injection barrier. The light current density (JL) of PM‐OPDs exhibits slightly decreased by inserting F8BT buffer layers due to the enhanced electron tunneling injection assisted by the more trapped holes near ITO electrode. The signal‐to‐noise ratio (SNR) of PM‐OPDs achieves over 40‐fold increment by inserting appropriate thickness of F8BT buffer layers, resulting from the markedly decreased JD and reasonably high JL. The optimal PM‐OPDs exhibit excellent photodetection capability with EQE of 4200% at 360 nm and 6600% at 850 nm, associated with the specific detectivity of 3.9 × 1011 Jones at 360 nm and 9.7 × 1011 Jones at 850 nm.
Multilayer Bionic Tunable Strain Sensor with Mutually Non‐Interfering Conductive Networks for Machine Learning‐Assisted Gesture Recognition
Authors: Gao Liang , Yang Jie , Zhao Yi , Zhao Xinxin , Zhou Kangkang , Zhai Wei , Zheng Guoqiang , Dai Kun , Liu Chuntai , Shen Changyu
Published: October 2024

Flexible strain sensors capable of acquiring tiny mechanical signals and attaching to various irregular surfaces are becoming prevalent in physiological measurement, soft robotics, and human‐machine interaction. However, the advancement of flexible strain sensors is substantially impeded by the intrinsic compromise between sensitivity and the range of detectable signals. Inspired by the multilayer structure of nacre in nature, a carbon nanotubes (CNTs)/graphene (GR)/graphene (GR)/thermoplastic polyurethane (TPU) mat (CGGTM) is prepared by electrospinning and high‐pressure spraying technology. By designing a multilayer structure with mutually non‐interfering conductive networks, the resulting CGGTM possesses a low detection limit (0.05% strain), high sensitivity (gauge factor, GF > 152537), large detection range (up to 364% strain), fast response/recovery time (80 ms/100 ms), and excellent cyclic durability (up to 1000 cycles). Furthermore, the CGGTM also exhibits satisfactory triboelectric performances when assembled into a triboelectric nanogenerator (TENG, 3 × 3 cm2), including high triboelectric output (open‐circuit voltage Voc = 135.4 V, short‐circuit current Isc = 1.25 µA) and power density (88 mW m−2), enabling reliable power supply, self‐powered sensing, and pulse monitoring capability. Finally, CGGTM is successfully applied to the collection of biological signals and multi‐gesture motion recognition assisted by machine learning algorithms, which holds promise for intelligent interaction with gestures in the future.
All‐SnO2‐Based Conformal Electron Transport Layer for Efficient Perovskite Solar Cells
Authors: Huang Bin , Zheng Likai , Hu Ruixiong , Xuan Yimin
Published: October 2024

The fabrication of high‐performance perovskite solar cells on high‐haze fluorine‐doped tin oxide (FTO) substrates with superior light‐trapping capabilities necessitates a highly conformal electron transport layer at the bottom interface. Herein, a conformal low‐temperature processable all‐SnO2‐based electron transport layer (ETL) is successfully developed on high‐haze FTO by well‐anchoring a polyacrylic acid‐stabilized quantum dot‐SnO2 layer onto an atomic layer deposited SnO2 layer with a dense hydroxyl surface. The obtained ETL demonstrates excellent capabilities in simultaneously homogenizing the surface contact potential distribution, blocking hole transport, and suppressing non‐radiative recombination. Consequently, a champion device is achieved that delivers a remarkable power conversion efficiency (PCE) of up to 24.97%, with VOC × FF reaching 87.09% of the Shockley‐Queisser limit at a bandgap of 1.54 eV, which is the highest value among the ALD SnO2‐based PSCs. The homogeneous ETL further enabled the fabrication of a 1 cm2 PSC with a PCE of 23.18% and only a 10 mV loss in VOC compared to smaller‐area PSCs, showcasing its potential for large‐scale commercial applications.
Cathepsin K‐Positive Cell Lineage Promotes In Situ Dentin Formation Controlled by Nociceptive Sonic Hedgehog
Authors: Xu Ruoshi , Zhang Xiaohan , Lin Weimin , Wang Yushun , Zhang Danting , Jiang Shuang , Liu Linfeng , Wang Jiaying , Luo Xutao , Zhang Xiao , Jing Junjun , Yuan Quan , Zhou Chenchen
Published: October 2024

Oral diseases affect nearly half of the global population throughout their lifetime causing pain, as estimated by the World Health Organization. Preservation of vital pulp is the therapeutic core as well as a challenge to protect natural teeth. Current bottleneck lies in that the regenerative capacity of injured pulp is undetermined. In this study, we identified a lifelong lineage that is labelled by cathepsin K (Ctsk) contributing to the physiological, reactionary and reparative odontogenesis of mouse molars. Ctsk+ cell‐mediated dentin formation is regulated by nociceptive nerve‐derived Sonic Hedgehog (Shh), especially rapidly responsive to acute injury. Notably, exogenous Shh protein to the injury pulp can preserve Ctsk+ cell capacity of odontogenesis for the nearby crown pulp and even remote root apex growth, alleviating conventionally developmental arrest in youth pulpitis. Exposed to chronical attrition, aged pulp Ctsk+ cells still hold the capacity to respond to acute stimuli and promote reparative odontogenesis, also enhanced by exogenous Shh capping. Therefore, Ctsk+ cells may be one of the lineages for accelerating precision medicine for efficient pulp treatment across ages. Shh application can be a candidate for vital pulp preservation and pulp injury repair by promoting regenerative odontogenesis to a certain extent from young adults to older individuals.
Patient‐Derived Melanoma Immune‐Tumoroids as a Platform for Precise High throughput Drug Screening
Authors: Viegas Juliana , Costa Sofia , Dias Sofia , Pereira Catarina Leite , Sarmento Bruno
Published: October 2024

In vitro models are crucial in cancer research, but they must truthfully mimic in vivo tumors for clinical relevance. The development of unprecedent melanoma quadruple multicellular tumoroids (MCTs) is proposed comprising tumor cells, keratinocytes, fibroblasts, and monocytes that replicate tumor architecture, tumor microenvironment, and secretome behavior. These MCTs of 300 µm in diameter secreted keratin and collagen, showing complexity proportional to their cell combinations. Further, closely resembled in vivo tumors in terms of cells organization, growth, progression, and immune behavior. Drug screening using these MCTs demonstrated their potential as patient‐derived platforms for precision medicine. These findings highlight the true value of MCTs for studying melanoma biology and testing therapeutic interventions with greater precision and relevance to human disease.
High‐Performance Flexible Silicon Nanowire Field Effect Transistors on Plastic Substrates
Authors: Zhang Ting , Sun Ying , Hu Ruijin , Qian Wentao , Yu Linwei
Published: October 2024

Inorganic semiconductor nanowires, known for their exceptional electronic properties and mechanical flexibility, are widely regarded as the ideal 1D channel materials for creating high‐performance flexible electronics. In this work, the integration of ordered arrays of silicon nanowire (SiNW) field effect transistors (FETs) directly onto flexible plastic substrates is showcased. The self‐aligned crystalline SiNW multi‐channels are first grown through an in‐plane solid–liquid–solid mechanism on rigid substrates, and then efficiently transferred in‐batch onto flexible polyethylene terephthalate (PET) plastics. The FETs constructed on these transferred SiNW channels exhibit outstanding performance, with a high on/off current ratio of >105, a low subthreshold swing of 175 mV dec−1, and remarkable mechanical stability that can endure an extremely small bending radius of 0.5 mm for 1000 cycles. Furthermore, inverter logics are also successfully demonstrated on plastic substrates, highlighting a prominent routine for scalable integration of high‐quality SiNW channels in the development of low‐cost, high‐performance flexible displays and wearable electronics.
Innovative Anode Design to Enhance Both Volumetric and Gravimetric Energy Densities of LiCoO2||Graphite Pouch Cells
Authors: Zhang Yidan , Wang Hua , Li Zezhuo , Ge Xiaoyu , Huang Kai , Huang Jia‐Qi , Huang Ling , Li Zhen , Huang Yunhui
Published: October 2024

The ratio of the anode (negative electrode) and cathode (positive electrode) areal capacities (N/P ratio), is an important parameter for Lithium‐ion batteries. Considering the manufacturing tolerance and battery safety, almost all of the batteries keep the N/P ratio > 1. Deviating from this ratio can lead to lithium precipitation on the anode surface, which poses significant risks. Here, by using a gradient structured graphite (Gr) anode, a new design concept is proposed that the N/P ratio could be less than 1, which can effectively achieve higher energy density without sacrificing the battery safety. This is achieved by incorporating a small quantity of silver (Ag) nanoparticles into the bottom layer of the anode (Gr‐Agx), which effectively modulates the concentration polarization of lithium ions along the thickness of the electrode. Moreover, the volumetric energy density of 4 Ah LiCoO2||Gr‐Ag0.5 (N/P = 0.8) pouch cell increases by 14.5% compared with LiCoO2||Gr (N/P = 1.1). Furthermore, the universal applicability and efficacy of the N/P < 1 design paradigm in LiFePO4||Gr cells are validated.
Contribution of Rare and Potentially Functionally Relevant Sequence Variants in Schizophrenia Risk‐Locus Xq28,distal
Authors: Claus I. , Sivalingam S. , Koller A. C. , Weiß A. , Mathey C. M. , Sindermann L. , Klein D. , Henschel L. , Ludwig K. U. , Hoffmann P. , Heimbach A. , Heilmann‐Heimbach S. , Vedder H. , Kammerer‐Ciernioch J. , Stürmer T. , Streit F. , Maaser‐Hecker A. , Nenadić I. , Baune B. T. , Hartmann A. M. , Konte B. , Giegling I. , Heilbronner U. , Wagner M. , Philipsen A. , Schmidt B. , Rujescu D. , Buness A. , Schulze T. G. , Rietschel M. , Forstner A. J. , Nöthen M. M. , Degenhardt F.
Published: October 2024

Duplications of the Xq28,distal locus have been described in male and female patients with schizophrenia (SCZ) or intellectual disability. The Xq28,distal locus spans eight protein‐coding genes (F8, CMC4, MTCP1, BRCC3, VBP1, FUNDC2, CLIC2, and RAB39B) and is flanked by recurrent genomic breakpoints. Thus, the issue of which gene/s at this locus is/are relevant in terms of SCZ pathogenesis remains unclear. The aim of this study was to investigate the contribution of rare and potentially functionally relevant sequence variants within the Xq28,distal locus to SCZ risk using the single‐molecule molecular inversion probes (smMIP) method. Targeted sequencing was performed in a cohort of 1935 patients with SCZ and 1905 controls of European ancestry. The consecutive statistical analysis addressed two main areas. On the level of the individual variants, allele counts in the patient and control cohort were systematically compared with a Fisher's exact test: (i) for the entire present study cohort; (ii) for patients and controls separated by sex; and (iii) in combination with data published by the Schizophrenia Exome Meta‐Analysis (SCHEMA) consortium. On the gene‐wise level, a burden analysis was performed using the X‐chromosomal model of the Optimal Unified Sequence Kernel Association Test (SKAT‐O), with adjustment for possible sex‐specific effects. Targeted sequencing identified a total of 13 rare and potentially functional variants in four patients and 11 controls. However, neither at the level of individual rare and potentially functional variants nor at the level of the eight protein‐coding genes at the Xq28,distal locus was a statistically significant enrichment in patients compared to controls observed. Although inconclusive, the present findings represent a step toward improved understanding of the contribution of X‐chromosomal risk factors in neuropsychiatric disorder development, which is an underrepresented aspect of genetic studies in this field.
Electronic Modulation and Symmetry‐Breaking Engineering of Single‐Atom Catalysts Driving Long‐Cycling Li−S Battery
Authors: Zhang Fanchao , Tang Zihuan , Zhang Tengfei , Xiao Hong , Zhuang Huifeng , Han Pinyu , Zheng Lirong , Jiang Lei , Gao Qiuming
Published: October 2024

Developing efficient and durable single‐atom catalysts is vitally important for the sulfur redox reaction (SROR) in Li−S battery, while it remains enormous challenging. Herein, undercoordinated Ni−N3 moieties anchored on N,S‐codoped porous carbon (Ni−NSC) is obtained to enhance the SROR. The experiments and theoretical calculations indicate that the symmetry‐breaking charge transfer in Ni single‐atom catalyst originates from tuning effect of sulfur atoms mediated Ni−N3 moieties, which can both facilitate the chemical adsorption by formation of N−Ni⋅⋅⋅Sn2−, and achieve a rapid redox conversion of polysulfides because of the enhanced electron transfer. As results, the Ni−NSC based Li−S battery delivers a very high initial reversible capacity (1025 mAh g−1 at 1 C), as well as outstanding cycling‐stability for 2400 cycles at 2 C and 3 C, respectively. Noteworthy, the areal capacity can reach 7.8 mAh cm−2 at 0.05 C and a retention capacity of 4.7 mAh cm−2 after 100 cycles at 0.2 C for Ni−NSC based Li−S battery with sulfur loading of 5.88 mg cm−2. This work provides profound insight for rational optimizing microscopic electronic density of active site to promoting SROR in metal‐sulfur batteries.
Modulating Core Polarity in Metal‐free Covalent Organic Frameworks for Selective Electrocatalytic Hydrogen Peroxide Production
Authors: Mehta Shivangi , Elmerhi Nada , Kaur Sukhjot , Mohammed Abdul Khayum , Nagaiah Tharamani C. , Shetty Dinesh
Published: October 2024

Tuning the charge density at the active site to balance the adsorption ability and reactivity of oxygen is extremely significant for driving a two‐electron oxygen reduction reaction (ORR) to produce hydrogen peroxide (H2O2). Herein, we have highlighted the influence of intermolecular polarity in covalent organic frameworks (COFs) on the efficiency and selectivity of electrochemical H2O2 production. Different C3 symmetric building blocks have been utilized to regulate the charge density at the active sites. The benzene‐cored COF, which exhibits reduced polarity than the triazine‐cored COF, displayed enhanced performance in H2O2 production, achieving 93.1 % selectivity for H2O2 at 0.4 V with almost two‐electron transfer and a faradaic efficiency of 90.5 %. In‐situ electrochemical Raman spectroscopy and scanning electrochemical microscopy (SECM) were employed to confirm H2O2 generation and analyze spatial reactivity patterns. These techniques provided detailed insights into localized catalytic behavior, emphasizing the influence of core polarity.
Selective Metal‐Coordinated Nanodrugs Based on Thiazine Moiety for Anticancer Therapeutics: Spectroscopic, Theoretical, and Molecular Docking Studies
Authors: Fouad R. , Mahdi Mohammed A. N. , Adly Omima M. I.
Published: October 2024

The current study involved production, comprehensive structural analysis, and physicochemical characterizing of two distinctive complexes namely, Cu(TBH) and Zn(TBH); TBH donor ligand: N′‐(1‐(3,6‐dihydro‐4‐hydroxy‐2,6‐dioxo‐2H‐1,3‐thiazin‐5‐yl)ethylidene)‐2‐hydroxybenzohydrazide) using a wide range of analytical methods, including elemental analysis, UV–Vis, FT‐IR, and 1HNMR spectrometry, molar conductivity and magnetic susceptibility measurements, and thermal analysis. According to the findings, chelation can occur through O, N, and O donor atoms of monoanionic chelator for generating mono‐nuclear chelates with tetrahedral geometry for Cu (II) and octahedral geometry for Zn (II). The anticarcinogenic ability of TBH chelator and its coordinated compounds against human liver cancer (HepG‐2) was investigated. The Cu(TBH) complex was found to have selective and promising anticancer activity against a liver cancer cell line, with lower IC50 (liver carcinoma cell line) and higher IC50 (normal human cell line) values than other produced compounds and standard drugs. Utilizing DFT computations, the molecular structures of the TBH and its complexes were verified, offering a detailed understanding of their quantum chemical characteristics. A quantitative structure–activity relationship (QSAR) model, which illustrates the association between DFT‐computed descriptors and biological activities pIC50, was also created using multiple linear regression (MLR) on the synthesized compounds as anticancer medicines. Additionally, there are no issues with the produced compounds' oral bioavailability according to (ROF) Lipinski's rule of five. Furthermore, docking studies of the synthesized TBH chelator and its chelates with CDK2 kinase have been performed to validate the biological findings. According to our findings, the novel Cu(TBH) nanodrug exhibits considerable cytotoxic activity, prompting further study into its pharmacological profile and exploring its potential in drug development.
Synthesis and thermal characterization of polyesters and copolyesters containing selenium with potential self‐healing behavior
Authors: Daitx Tales S. , Jacoby Caroline G. , Brito Maria E. A. , Schneider Paulo H. , Mauler Raquel S.
Published: October 2024

This work presents a versatile method for obtaining a new family of selenium‐containing polyesters through polycondensation reactions, focusing on methodology of the synthesis, thermal characterization, and evaluation of potential self‐healing behavior of these structures. Using diselenides as monomers, homopolymers and copolymers with self‐healing behavior were synthesized in good yields and molar masses, and their structural characteristics could be modulated according to the type of monomers and their proportions. In this way, a wide range of polymers were obtained using monomers with aliphatic and aromatic structures. All the synthesized polymers were evaluated in terms of their thermal stability, which reached 200°C, and their completely amorphous structure, where the Tg could be modulated by adjusting the proportion of monomers. In addition, the self‐healing potential of polymers that were able to form films and exhibited structural mobility at room temperature was qualitatively evaluated. After 12 h of exposure to visible light at a controlled temperature, the structures containing aromatic and aliphatic mixtures at a 1:1 ratio were able to regenerate almost 100% of their surface area. The results presented in this work can contribute to the development of new methodologies for obtaining selenium‐containing polymers while increasing the range of possible self‐healing compounds.
Aboriginal flood narratives and the thunder complex in Southeast Asia
Authors: Brumm Adam , Forth Gregory
Published: October 2024

The ancestors of the dingo were brought to mainland Australia around 4000 years ago by people who arrived by boat. The identity of these voyagers from the north, however, and the nature of their interactions with the Aboriginal population of Australia, are unknown. Here, we propose that Indigenous flood narratives from the Kimberley contain evidence for contact between Aboriginal people and early Asian seafarers in the form of the “thunder complex”. The latter is a very specific repertoire of taboos, rituals and stories that occurs widely among ethnographically known societies of Indonesia, the Philippines and peninsular Malaysia, but has not previously been identified in Australia. Among Southeast Asian groups, this cultural complex revolves around the idea that certain prohibited acts perpetrated against animals – especially “mocking” them by treating them as though they were human – precipitate a punitive storm and/or flooding. We show that in some oral traditions of the Kimberley region animal mockery is similarly held to be the causative agent behind disastrous flooding events that took place in the past creationary epoch. We contend that this localised Aboriginal variant of the thunder complex reflects an episode of close interaction with early Austronesian‐speaking voyagers who introduced ancestral dingoes to mainland Australia, apparently via the Kimberley coast.
Cross‐Cohort Mixture Analysis: A Data Integration Approach With Applications on Gestational Age and DNA‐Methylation‐Derived Gestational Age Acceleration Metrics
Authors: Colicino Elena , Ascari Roberto , Saddiki Hachem , Merced‐Nieves Francheska , Foppa Pedretti Nicolò , Huddleston Kathi , Wright Robert O , Wright Rosalind J ,   Program Collaborators for Environmental Influences on Child Health Outcomes
Published: October 2024

Data integration of multiple studies can provide enhanced exposure contrast and statistical power to examine associations between environmental exposure mixtures and health outcomes. Extant research has combined populations and identified an overall mixture–outcome association, without accounting for differences across studies. We extended the Bayesian Weighted Quantile Sum (BWQS) regression to a hierarchical framework to analyze mixtures across cohorts. The hierarchical BWQS (HBWQS) approach aggregates sample size of multiple cohorts to calculate an overall mixture index, thereby identifying the most harmful exposure(s) across cohorts; and provides cohort‐specific associations between the overall mixture index and the outcome. We showed results from 10 simulated scenarios including four mixture components in three, eight, and ten populations, and two real‐case examples on the association between prenatal metal mixture exposure—comprising arsenic, cadmium, and lead—and both gestational age and epigenetic‐derived gestational age acceleration metrics. Simulated scenarios showed good empirical coverage and little bias for all HBWQS‐estimated parameters. The Watanabe–Akaike information criterion showed a better average performance for the HBWQS regression than the BWQS across scenarios. HBWQS results incorporating cohorts within the national Environmental influences on Child Health Outcomes (ECHO) program from three different sites showed that the environmental mixture was negatively associated with gestational age in a single site. The HBWQS approach facilitates the combination of multiple cohorts and accounts for individual cohort differences in mixture analyses. HBWQS findings can be used to develop regulations, policies, and interventions regarding multiple co‐occurring environmental exposures and it will maximize the use of extant publicly available data.
3‐Hydroxy‐2‐naphthohydrazide: A Commercially Available Compound for Fluorescence Sensing of Ortho‐Vanillin and Vanillin
Authors: Patel Dhvani A. , Bhardwaj Vinita , Jali Bigyan R. , Sahoo Suban K.
Published: October 2024

Vanillin and ortho‐vanillin are the most important flavoring additives used in the food industry at a large scale. Herein, the aggregation‐induced emission (AIE) behavior of commercially available 3‐hydroxy‐2‐naphthohydrazide (3HN) was explored and applied for the detection of vanillin and ortho‐vanillin. The weakly fluorescent 3HN in DMSO showed fluorescence enhancement at 500 nm with the increase in HEPES or PBS buffer (pH 7.4) fractions in DMSO. The 3HN in DMSO containing 30% HEPES buffer is used as Probe 1 for the selective detection of ortho‐vanillin. Probe 1 showed a new fluorescence emission at 415 nm for ortho‐vanillin without altering the probe emission at 500 nm. With high specificity, Probe 1 can detect ortho‐vanillin down to 0.3 μM. In contrast, 3HN in DMSO containing 20% PBS buffer is used as Probe 2 for the selective turn‐off detection of vanillin. The green fluorescence emission of Probe 2 at 500 nm is selectively quenched by vanillin with a detection limit of 0.8 μM. Finally, the analytical novelty of the developed probes was examined by quantifying ortho‐vanillin and vanillin in spiked food samples with good recovery percentages.
Photo(Multicomponent) Reaction of Quinoxalin‐2(1H)‐ones with CBrCl3 and Styrenes by Mes‐Acr‐MeClO4
Authors: Pal Buddhadeb , Priyadarshinee Soumyashree , Mal Prasenjit
Published: October 2024

In this study, we explored the use of Mes‐Acr‐MeClO4 as a visible light photocatalyst for multicomponent reactions involving quinoxalin‐2(1H)‐ones with CBrCl3 and styrene. The method showcases regioselective functionalization of quinoxalin‐2(1H)‐ones in a three‐component system, forming two C─C bonds in one pot. Mechanistic investigations suggest a radical‐mediated pathway, initiated by the photoexcitation of Mes‐Acr‐MeClO4, followed by halogen atom abstraction from CBrCl3. This approach provides a versatile and sustainable route for quinoxalin‐2(1H)‐one functionalization, with Mes‐Acr‐MeClO4 effectively facilitating the photocatalyzed multicomponent reaction under mild conditions and visible light irradiation, yielding high selectivity and efficiency.
Lithium Doping Enhances the Aqueous Zinc Ion Storage Performance of V3O7 ⋅ H2O Nanorods
Authors: Hu Yingfang , Zhang Siwen , Ren Yujin , Ge Rongyuan , Shi Yaowen , Feng Xinyu , Li Hui , Jia Baohua , Yin Bosi , Ma Tianyi
Published: October 2024

Aqueous zinc‐ion batteries (AZIBs) offer significant advantages, including high safety, environmental protection and abundant zinc sources. V‐based layer‐like oxides are promising candidates as cathode materials for ZIBs; however, they face challenges such as low electrical conductivity, poor cycling stability, and limited Zn2+ storage capacity. In this study, Li‐V3O7 ⋅ H2O electrode materials were successfully synthesized using a hydrothermal method. The doping of lithium ions has led to a significant expansion of the interlayer spacing within the electrode structure, which enhances ion mobility and improves ion transport speed as well as charge‐discharge rates. Additionally, the increased spacing allows for the accommodation of more zinc ions, resulting in greater specific capacity and energy storage. More importantly, this modification reduces structural strain, minimizes the dissolution of vanadium‐based materials, and maintains electrode integrity over multiple cycles, thereby improving cycling stability. Consequently, the properties of V3O7 ⋅ H2O electrodes were substantially enhanced through lithium‐ion doping. The Li‐V3O7 ⋅ H2O cathode has a specific capacity of 411.8 mAh g−1 at low current and maintains 83 % of its capacity at 4.0 A g−1 for 4800 cycles, indicating a noteworthy improvement over pristine V3O7 ⋅ H2O. Exhibiting outstanding conductivity, discharge capacity, and cycling stability, it holds immense promise for future high‐performance energy storage.
Screening of Cation Exchange Membranes for an Anthraquinone‐Ferrocyanide Flow Battery
Authors: Söffker Lavrans F. , Turek Thomas , Kunz Ulrich , Arenas Luis F.
Published: October 2024

The disodium salt of 9,10‐anthraquinone‐2,7‐disulphonic acid (2,7‐AQDS) is an interesting platform for developing anthraquinone derivative negolytes for aqueous organic flow batteries. Recently, ammonium sulphate supporting electrolytes have been considered for improved stability and solubility. This work advances the 2,7‐AQDS/ferrocyanide flow battery with an ammonium sulphate supporting electrolyte (pH 5) by studying the suitability of six commercially available cation exchange membranes: E‐620, NR‐212, FS‐930, F‐1075‐PK, F‐1850 and N‐115. Cell cycling under galvanostatic regime plus potential hold was performed to determine coulombic efficiency, energy efficiency and accessible capacity for each membrane as well as capacity fade rate for three selected membranes under extended operation. Cell cycling under galvanostatic control only was carried out to observe transient membrane behavior alongside accessible capacity and apparent capacity fade rate. It was found that the capacity set by the limiting negolyte is consistent with 1.5 electrons per 2,7‐AQDS molecule and that energy efficiency shows a simple direct relationship to membrane thickness, with one exception. Meanwhile, four membranes displayed similar apparent capacity fade rates at this laboratory scale irrespective of their thickness, with capacity loss explained in terms of crossover. The best overall performance was attained by the thinnest membranes, E‐620 and NR‐212.
The influence of syn‐depositional compaction on clastic sediment distribution in river‐dominated deltas: A modelling study
Authors: Valencia A. A. , Storms J. E. A. , Jagers H. R. A. , van der Vegt H.
Published: October 2024

Syn‐sedimentary compaction or consolidation is an important process in deltaic environments because it affects both the local morphodynamics and hydrodynamics as well as the delta‐scale accommodation space. However, the impact of syn‐depositional compaction on the sediment distribution and the interdependency between different delta areas related to the sediment budget are not fully understood. This paper simulates syn‐depositional compaction using improved 1D grain‐size compaction formulations, integrated into hydrodynamic and morphodynamic modelling software Delft3D. The updated code is used to model sedimentation in mud‐rich deltas under various compaction rate scenarios, which represents the maximum compaction rate potential of sediment that experiences the highest overburden stress in the delta. The simulated deltas are analysed by first classifying their plan‐view area development into depositional elements: distributary channel, underfilled channel, delta plain, mouth bar, delta front and pro delta depositional elements. Then, sedimentation by mass, accommodation space and depositional segment metrics are calculated using the interpreted depositional elements. The results for zero compaction rate scenarios (0 mm year−1) show that limited space‐varying and temporal‐varying accommodation is available to deposit sediment in the delta plain depositional element. Therefore, the sedimentation mainly occurs in the mouth bar depositional element. For low‐mid compaction rate scenarios (0.01–1 mm year−1), the additional syn‐depositional accommodation space in the delta plain depositional element increases sedimentation in this area, limiting sedimentation in the mouth bar depositional element. For high compaction rate scenarios (>1 mm year−1), a further increase in the accommodation space in the delta plain depositional element leads to lateral sedimentation attributed to channel relocation, where the sedimentation mainly occurs in the mouth bar depositional element. This study shows that, although considered a gradual process, syn‐sedimentary compaction does impact long‐term delta evolution by influencing the distribution of sedimentation in the delta.