bluuebunny/crossref_metadata_2025 huggingface dataset:
Generalized Interphase Design for Stabilized Li/Inorganic Electrolyte Interfaces
Authors: Liu Hong , Li Dabing , Dong Chenxin , Li Yang , Yuan Haocheng , Yu Dengfeng , Gao Lei , Ding Peipei , Li Yue , Qin Zuoyu , Liang Ying , Luo HanLin , Li Liangliang , Ren Yaoyu , Fan Li‐Zhen , Nan Ce‐Wen
Published: July 2024

All‐solid‐state Li metal batteries (ASSLMBs) using inorganic solid‐state electrolytes (ISEs) are considered promising energy storage technologies owing to their intrinsic safety and high energy density. Nevertheless, one critical challenge confronting ASSLMBs is the inability of the ISEs to prevent Li dendrite growth, which has not yet been fully addressed. Herein, general design principles of artificial solid electrolyte interphases (ASEI) for suppressing Li dendrites in ASSLMBs are proposed by systematically exploring the formation mechanism of Li dendrites. Subsequently, a tailored LiF‐Li3N ASEI is constructed to inspect the Li‐dendrite‐free design principles. The LiF‐Li3N modified Li (LFN‐Li) can effectively inhibit the side reactions and suppress the growth of Li dendrites, thus boosting the critical current densities of Li10GeP2S12 (LGPS) to a record‐high value of 3.4 mA cm−2. Furthermore, the LFN‐Li/LGPS/LFN‐Li can cycle stably for over 5000 h at 0.2 mA cm−2. Crucially, the versatility of the designed ASEI is highlighted as it ensures outstanding long‐term stability in symmetric cells featuring oxide Li1.3Al0.3Ti1.7(PO)3 or halide Li2ZrCl6 ISEs. As a result, the ASEI enables LiNi0.8Mn0.1Co0.1O2/LGPS/LFN‐Li and FeS2/LGPS/LFN‐Li cells to achieve high discharge‐specific capacities and desirable cyclic stability at room temperature. The generalized ASEI design principles rationalize the development of high‐energy ASSLBMs.
Species‐tree topology impacts the inference of ancient whole‐genome duplications across the angiosperm phylogeny
Authors: McKibben Michael T. W. , Finch Geoffrey , Barker Michael S.
Published: July 2024

Premise

The history of angiosperms is marked by repeated rounds of ancient whole‐genome duplications (WGDs). Here we used state‐of‐the‐art methods to provide an up‐to‐date view of the distribution of WGDs in the history of angiosperms that considers both uncertainty introduced by different WGD inference methods and different underlying species‐tree hypotheses.

Methods

We used the distribution synonymous divergences (Ks) of paralogs and orthologs from transcriptomic and genomic data to infer and place WGDs across two hypothesized angiosperm phylogenies. We further tested these WGD hypotheses with syntenic inferences and Bayesian models of duplicate gene gain and loss.

Results

The predicted number of WGDs in the history of angiosperms (~170) based on the current taxon sampling is largely similar across different inference methods, but varies in the precise placement of WGDs on the phylogeny. Ks‐based methods often yield alternative hypothesized WGD placements due to variation in substitution rates among lineages. Phylogenetic models of duplicate gene gain and loss are more robust to topological variation. However, errors in species‐tree inference can still produce spurious WGD hypotheses, regardless of method used.

Conclusions

Here we showed that different WGD inference methods largely agree on an average of 3.5 WGD in the history of individual angiosperm species. However, the precise placement of WGDs on the phylogeny is subject to the WGD inference method and tree topology. As researchers continue to test hypotheses regarding the impacts ancient WGDs have on angiosperm evolution, it is important to consider the uncertainty of the phylogeny as well as WGD inference methods.
Landscape and conservation genetics of western black crested gibbons (Nomascus concolor) in China
Authors: Orkin Joseph D. , He Kai , Hu Nai‐qing , Guan Zhen‐hua , Huang Bei , Yang Chunyan , Fan Peng‐fei , Jiang Xuelong
Published: July 2024

Despite decades of field study, very little is known about the molecular ecology of gibbons, particularly as it relates to their ability to disperse across degraded and fragmentary landscapes. The critically endangered western black crested gibbon (Nomascus concolor) has been reduced to a small, fragmented population with about 1300 individuals. In the largest population genetic study of free‐ranging gibbons to date, we sampled 47 of these gibbons from 13 sites in China and generated 15 polymorphic autosomal microsatellite markers. We identify three population clusters of N. concolor in Yunnan centered in 1) the Wuliang and Ailao Mountains, 2) the Yongde Daxueshan Mountains, and 3) an isolated remnant near the border with Vietnam. Within the Wuliang Mountains, we identified four subclusters, three of which are bounded by high‐altitude rhododendron forest, and one that is isolated from the main population by ~2 km of degraded forest and pasture. Least‐cost path analysis and isolation by resistance modeling demonstrates that the population genetic distances among gibbons in Wuliangshan National Nature Reserve are significantly correlated with geographic paths that avoid use of high‐altitude rhododendron forest in favor of evergreen broadleaf forest. Although these gibbons have likely undergone reductions in heterozygosity from recent consanguineous mating, we suggest that their active avoidance of inbreeding on the population level maintains higher than expected levels of genetic diversity. This research provides new insights into how gibbons interact with heterogeneous environments and expands our understanding of their molecular ecology and conservation genetics.
Associations of cerebral amyloid beta and tau with cognition from midlife
Authors: Gonzales Mitzi M. , O'Donnell Adrienne , Ghosh Saptaparni , Thibault Emma , Tanner Jeremy , Satizabal Claudia L. , Decarli Charles S. , Fakhri Georges El , Johnson Keith A. , Beiser Alexa S. , Seshadri Sudha , Pase Matthew
Published: July 2024

INTRODUCTION

Understanding early neuropathological changes and their associations with cognition may aid dementia prevention. This study investigated associations of cerebral amyloid and tau positron emission tomography (PET) retention with cognition in a predominately middle‐aged community‐based cohort and examined factors that may modify these relationships.

METHODS

11C‐Pittsburgh compound B amyloid and 18F‐flortaucipir tau PET imaging were performed. Associations of amyloid and tau PET with cognition were evaluated using linear regression. Interactions with age, apolipoprotein E (APOE) ε4 status, and education were examined.

RESULTS

Amyloid and tau PET were not associated with cognition in the overall sample (N = 423; mean: 57 ± 10 years; 50% female). However, younger age (< 55 years) and APOE ε4 were significant effect modifiers, worsening cognition in the presence of higher amyloid and tau.

DISCUSSION

Higher levels of Aβ and tau may have a pernicious effect on cognition among APOE ε4 carriers and younger adults, suggesting a potential role for targeted early interventions.

Highlights

Risk and resilience factors influenced cognitive vulnerability due to Aβ and tau.

Higher fusiform tau associated with poorer visuospatial skills in younger adults.

APOE ε4 interacted with Aβ and tau to worsen cognition across multiple domains.
Establishment of a swine experimental model of non‐occlusive mesenteric ischemia: Combining induced hemorrhagic shock and vasopressor administration
Authors: Tanaka Yasutaka , Matsumura Yosuke , Aoki Makoto , Hayashi Yosuke , Izawa Yoshimitsu , Endo Kazuhiro , Mato Takashi
Published: July 2024

Aim

Non‐occlusive mesenteric ischemia (NOMI) is associated with high mortality rates, but definitive treatments have not yet been established. Although experimental animal models are worthwhile, reproducible models that reflect the pathophysiology of NOMI have not been developed.

Methods

We combined risk factors for NOMI, comprising hemorrhagic shock, systemic vasopressor infusion, and local vasopressor infusion from the superior mesenteric artery (SMA) in swine under maintained anesthesia. Experiment 1 involved full‐intensity (40%) phlebotomy and systemic vasopressor (norepinephrine and epinephrine). Experiment 2 involved full‐intensity (40%) phlebotomy, systemic norepinephrine, and local vasopressor infusion into the SMA. Experiment 3 involved moderate (27%) phlebotomy, systemic norepinephrine infusion, and local epinephrine infusion. We evaluated serum lactate levels, intestinal serosa color, computed tomography (CT) angiography, and pathological findings.

Results

After inducing hemorrhage, systemic vasopressor alone and in combination with local vasopressin or norepinephrine infusion did not induce ischemic color changes in the intestine. The combination of systemic norepinephrine and local epinephrine (0.5 μg/kg/min) after moderate (27% blood loss) hemorrhage induced gross color change, pathological destruction, and elevation of serum lactate. Patent flow in the SMA was confirmed on CT angiography.

Conclusion

We established a swine NOMI model with systemic norepinephrine infusion and local epinephrine with moderate hemorrhagic shock.
Integrating Multipolar Structures and Carboxyl Groups in sp2‐Carbon Conjugated Covalent Organic Frameworks for Overall Photocatalytic Hydrogen Peroxide Production
Authors: Xu Haocheng , Wang Yandong , Xu Yang , Wang Qiaomu , Zhuang Mingyan , Liao Qiaobo , Xi Kai
Published: July 2024

The direct production of hydrogen peroxide (H2O2) through photocatalytic reaction via H2O and O2 is considered as an ideal approach. However, the efficiency of H2O2 generation is generally limited by insufficient charge and mass transfer. Covalent organic framework (COFs) offer a promising platform as metal‐free photocatalyst for H2O2 production due to their potential for rational design at the molecular level. Herein, we integrated the multipolar structures and carboxyl groups into COFs to enhance the efficiency of photocatalytic H2O2 production in pure water without any sacrificial agents. The introduction of octupolar and quadrupolar structures, along with an increase of molecular planarity, created efficient oxygen reduction reaction (ORR) sites. Meanwhile, carboxyl groups could not only boost O2 and H2O2 movement via enhancement of pore hydrophilicity, but also promote proton conduction, enabling the conversion to H2O2 from ⋅O2−, which is the crucial intermediate product in H2O2 photocatalysis. Overall, we demonstrate that TACOF‐1‐COOH, consisting of optimal octupolar and quadrupolar structures, along with enrichment sites (carboxyl groups), exhibited a H2O2 yield rate of 3542 μmol h− 1 g−1 and a solar‐to‐chemical (SCC) efficiency of 0.55 %. This work provides valuable insights for designing metal‐free photocatalysts for efficient H2O2 production.
P1−xTa8+xN13 (x=0.1–0.15): A Phosphorus Tantalum Nitride Featuring Mixed‐Valent Tantalum and P/Ta Disorder Visualized by Scanning Transmission Electron Microscopy
Authors: Pointner Monika M. , Ceniza Claude , Nusser Lukas , Witthaut Kristian , Wolf Florian , Weidemann Martin , Eisenburger Lucien , Moewes Alexander , Oeckler Oliver , Schnick Wolfgang
Published: July 2024

We report on the synthesis, crystal, and electronic structure, as well as the magnetic, and electric properties of the phosphorus‐containing tantalum nitride P1−xTa8+xN13 (x=0.1–0.15). A high‐pressure high‐temperature reaction (8 GPa, 1400 °C) of Ta3N5 and P3N5 with NH4F as a mineralizing agent yields the compound in the form of black, rod‐shaped crystals. Single‐crystal X‐ray structure elucidation (space group C2/m (no. 12), a=16.202(3), b=2.9155(4), c=11.089(2) Å, β=126.698(7)°, Z=2) shows a network of face‐ and edge‐sharing Ta‐centered polyhedra that contains small vacant channels and PN6 octahedra strands. Atomic resolution transmission electron microscopy reveals an unusual P/Ta disorder. Mixed‐valent tantalum atoms exhibit interatomic distances similar to those in metallic tantalum, however, the electrical resistivity is quite high in the order of 101 Ω cm. The density of states and the electron localization function indicate localized electrons in both covalent and ionic bonds between P/Ta and N atoms, combined with less localized electrons that do not contribute to interatomic bonds.
Modular Assembly of Acridines by Integrating Photo‐Excitation of o‐Alkyl Nitroarenes with Copper‐Promoted Cascade Annulation
Authors: Huang Haichao , Jiang Yifan , Yuan Wei , Lin Yu‐Mei
Published: July 2024

Acridine frameworks stand as pivotal architectural elements in pharmaceuticals and photocatalytic applications, owing to their chemical adaptability, biological activity, and unique excited‐state dynamics. Conventional synthetic routes often entail specialized starting materials, anaerobic or moisture‐free conditions, and elaborate multi‐stage manipulations for incorporating diverse functionalities. Herein, we present a convergent approach integrating photo‐excitation of readily available ortho‐alkyl nitroarenes with copper‐promoted cascade annulation. This innovative system enables an aerobic, one‐pot reaction of o‐alkyl nitroarenes with arylboronic acids, thereby streamlining the modular construction of a wide array of acridine derivatives with various functional groups. This encompasses symmetrical, unsymmetrical and polysubstituted varieties, some of which are otherwise exceptionally difficult to synthesize. Furthermore, it significantly improves the production of structurally varied acridinium salts, featuring enhanced photophysical properties, high excited state potentials (E*red=2.08–3.15 V), and exhibiting superior performance in intricate photoredox transformations.
Surface Gradient Desodiation Chemistry in Layered Oxide Cathode Materials
Authors: Jiang Na , Yu Jiangtao , Wu Zhonghan , Zhao Jiahua , Zeng Yuyao , Li Haixia , Meng Miao , He Yutong , Jiao Peixin , Pan Hongchuang , Wang Huili , Qi Jianing , Hu Zhe , Zhang Kai , Chen Jun
Published: July 2024

Sodium‐ion batteries (SIBs) as a promising technology for large‐scale energy storage have received unprecedented attention. However, the cathodes in SIBs generally suffer from detrimental cathode‐electrolyte interfacial side reactions and structural degradation during cycling, which leads to severe capacity fade and voltage decay. Here, we have developed an ultra‐stable Na0.72Ni0.20Co0.21Mn0.55Mg0.036O2 (NCM‐CS‐GMg) cathode material in which a Mg‐free core is encapsulated by a shell with gradient distribution of Mg using coprecipitation method with Mg‐hysteretic cascade feedstock followed by calcination. From the interior to outer surface of the shell, as the content of electrochemically inactive Mg gradually increases, the Na+ deintercalation amount gradually decreases after charged. Benefiting from this surface gradient desodiation, the surface transition metal (TM) ion migration from TM layers to Na layers is effectively inhibited, thus suppressing the layered‐to‐rock‐salt phase transition and the resultant microcracks. Besides, the less formation of high‐valence TM ions on the surface contributes to a stable cathode‐electrolyte interface. The as‐prepared NCM‐CS‐GMg exhibits remarkable cycling life over 3000 cycles with a negligible voltage drop (0.127 mV per cycle). Our findings highlight an effective way to developing sustainable cathode materials without compromising on the initial specific capacity for SIBs.
Formulating Self‐Repairing Solid Electrolyte Interface via Dynamic Electric Double Layer for Practical Zinc Ion Batteries
Authors: Qin Siqi , Zhang Jie , Xu Mi , Xu Peiwen , Zou Jiabin , Li Jianhui , Luo Dan , Zhang Yongguang , Dou Haozhen , Chen Zhongwei
Published: July 2024

Zinc ion batteries (ZIBs) encounter interface issues stemming from the water‐rich electrical double layer (EDL) and unstable solid‐electrolyte interphase (SEI). Herein, we propose the dynamic EDL and self‐repairing hybrid SEI for practical ZIBs via incorporating the horizontally‐oriented dual‐site additive. The rearrangement of distribution and molecular configuration of additive constructs the robust dynamic EDL under different interface charges. And, a self‐repairing organic–inorganic hybrid SEI is constructed via the electrochemical decomposition of additive. The dynamic EDL and self‐repairing SEI accelerate interfacial kinetics, regulate deposition and suppress side reactions in the both stripping and plating during long‐term cycles, which affords high reversibility for 500 h at 42.7 % depth of discharge or 50 mA ⋅ cm−1. Remarkably, Zn//NVO full cells deliver the impressive cycling stability for 10000 cycles with 100 % capacity retention at 3 A ⋅ g−1 and for over 3000 cycles even at lean electrolyte (7.5 μL ⋅ mAh−1) and high loading (15.26 mg ⋅ cm−2). Moreover, effectiveness of this strategy is further demonstrated in the low‐temperature full cell (−30 °C).
Cation‐Dependent Mixed Ionic‐Electronic Transport in a Perylenediimide Small‐Molecule Semiconductor
Authors: Yu Simiao , Wu Han‐Yan , Lemaur Vincent , Kousseff Christina J. , Beljonne David , Fabiano Simone , Nielsen Christian B.
Published: July 2024

A rapidly growing interest in organic bioelectronic applications has spurred the development of a wide variety of organic mixed ionic‐electronic conductors. While these new mixed conductors have enabled the community to interface organic electronics with biological systems and efficiently transduce biological signals (ions) into electronic signals, the current materials selection does not offer sufficient selectivity towards specific ions of biological relevance without the use of auxiliary components such as ion‐selective membranes. Here, we present the molecular design of an n‐type (electron‐transporting) perylene diimide semiconductor material decorated with pendant oligoether groups to facilitate interactions with cations such as Na+ and K+. Using the cyclic 15‐crown‐5 oligoether motif, we find that the resulting mixed conductor PDI‐crown displays a strong dependence on the size of the electrolyte cation when tested in an organic electrochemical transistor configuration. In stark contrast to the low current response on the order of 1 μA observed with aqueous sodium chloride, a nearly 200‐fold increase in current is observed with aqueous potassium chloride. We ascribe the high selectivity to extended molecular aggregation and therefore efficient charge transport in the presence of K+ due to a favourable sandwich‐like structure between two adjacent 15‐crown‐5 motifs and the potassium ion.
Nanoarchitectonics of Vesicle Microreactors for Oscillating ATP Synthesis and Hydrolysis
Authors: Wang Tonghui , Fei Jinbo , Yu Fanchen , Xu Xia , Cui Yue , Li Junbai
Published: July 2024

We construct a compartmentalized nanoarchitecture to regulate bioenergy level. Glucose dehydrogenase, urease and nicotinamide adenine dinucleotide are encapsulated inside through liquid‐liquid phase separation. ATPase and glucose transporter embedded in hybrid liposomes are attached at the surface. Glucose is transported and converted to gluconic acid catalyzed by glucose dehydrogenase, resulting in an outward proton gradient to drive ATPase for ATP synthesis. In parallel, urease catalyzes hydrolysis of urea to generate ammonia, which leads to an inward proton gradient to drive ATPase for ATP hydrolysis. These processes lead to a change of the direction of proton gradient, thus achieving artificial ATP oscillation. Importantly, the frequency and the amplitude of the oscillation can be programmed. The work explores nanoarchitectonics integrating multiple components to realize artificial and precise oscillation of bioenergy level.
Classification Criteria for Axial Disease in Youth With Juvenile Spondyloarthritis
Authors: Weiss Pamela F. , Brandon Timothy G. , Aggarwal Amita , Burgos‐Vargas Ruben , Colbert Robert A. , Horneff Gerd , Laxer Ronald M. , Minden Kirsten , Ravelli Angelo , Ruperto Nicolino , Smith Judith A. , Stoll Matthew L. , Tse Shirley M. , Van den Bosch Filip , Maksymowych Walter P. , Lambert Robert G. , Biko David M. , Chauvin Nancy A. , Francavilla Michael L. , Jaremko Jacob L. , Herregods Nele , Kasapcopur Ozgur , Yildiz Mehmet , Srinivasalu Hemalatha , Lovell Daniel J. , Nigrovic Peter A. , Foeldvari Ivan , Klein‐Gitelman Marisa S. , Ozen Seza , Naden Ray , Hendry Alison M. , Joos Rik
Published: July 2024

Objective

The goal was to develop and validate classification criteria for axial juvenile spondyloarthritis (SpA; AxJSpA).

Methods

This international initiative consisted of four phases: (1) item generation, (2) item reduction, (3) criteria development, and (4) validation of the AxJSpA criteria by an independent team of experts in an internationally representative validation cohort.

Results

These criteria are intended to be used on youth with a physician diagnosis of juvenile SpA and for whom axial disease is suspected. Item generation consisted of a systematic literature review and a free‐listing exercise using input from international physicians, which collectively resulted in 108 items. After the item reduction exercise and expert panel input, 37 items remained for further consideration. The final AxJSpA criteria domains included the following: imaging of active inflammation, imaging of structural lesions, pain chronicity, pain pattern, pain location, stiffness, and genetics. The most heavily weighted domains were active inflammation and structural lesions on imaging. Imaging typical of sacroiliitis was deemed necessary, but not sufficient, to classify a youth with AxJSpA. The threshold for classification of AxJSpA was a score of ≥55 (out of 100). When tested in the validation data set, the final criteria had a specificity of 97.5% (95% confidence interval [CI] 91.4%–99.7%), sensitivity of 64.3% (95% CI 54.9%–73.1%), and area under the receiver operating characteristic curve of 0.81 (95% CI 0.76%–0.86%).

Conclusion

The new AxJSpA classification criteria require an entry criterion and a physician diagnosis of juvenile SpA and include seven weighted domains. The AxJSpA classification criteria are validated and designed to identify participants for research studies.

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The role of information and communication technologies in disclosing and reporting sexual assault among young adults: A systematic review. An Annual Review of Information Science and Technology (ARIST) paper
Authors: Lookingbill Valerie , Wagner Travis L.
Published: July 2024

As survivors have complex and varied motivations for disclosing sexual assault, information and communication technologies (ICTs) can offer unique affordances that either facilitate or hinder sexual assault disclosures. In response, this systematic review draws connections between the functions of sexual assault disclosures and how ICT design choices can impact the sexual assault disclosure process. Findings from 23 empirical studies indicate that platform affordances can facilitate sexual assault survivors' motivations of visibility, naming sexual assault experiences, anonymity, and destigmatizing sexual assault. Further, findings categorize ICT‐based sexual assault disclosure within three frames: disclosure as a linguistic act, disclosure as a reciprocal act, and disclosure as a cultural response. In turn, findings from this systematic review reveal a need for a better understanding of how ICTs function as counter‐discursive information spaces and identify important considerations for redesigning ICTs to allow for sexual assault disclosure work to flourish.
An Acid‐Activatable Fluorescent Probe for Sulfur Dioxide in Traditional Chinese Medicines and Living Cells
Authors: Xi Guan , Liu Mei , Zhou Peitao , Yu Congting , Zhang Fan , Zhang Zhenqiang , Zhang Wenli , Luan Tiangang
Published: July 2024

Excessive sulfur dioxide (SO₂) disturbs physiology of lysosomes causing diseases and threatening human health. A fluorescent probe has been regarded as one of the most attractive approaches, which is compatible with living cells and possesses high sensitivity. However, most of fluorescent probes’ reaction sites are activated before they reach the destination. In this work, an acid‐activatable fluorescent probe PT1 was synthesized, characterized, and used for SO2 detection. The introduction of oxazolines in PT1 enables the intelligent response of probe to release the activation stie for SO2 derivatives through Michael addition upon exposure to acid. In vitro studies showed a remarkable selectivity of PT1 to SO₂ derivatives than other biothiols with a limit of detection as low as 62 nM. By using this acidic pH‐controlled fluorescence responsiveness to SO₂, precise spatiotemporal identification of lysosomal SO2 fluctuations has been successfully performed. Furthermore, probe PT1 can be applied for monitoring SO₂ derivatives in traditional Chinese medicines.
Characteristics and correlates of aggressive behavior in autistic youths
Authors: Brown Cynthia E. , Borduin Charles M. , Sheerin Kaitlin M. , Kanne Stephen M.
Published: July 2024

This study aimed to characterize aggressive behaviors in autistic youths and to identify the social environment variables most strongly linked with aggression in this clinical population. Participants were 2142 caregivers of autistic youths (ages 6.0–17.9) recruited from autism research centers across the United States. Caregivers completed self‐report and behavior rating inventories that assessed both verbal and physical aggression as well as characteristics of the individual youths (sleep quality, gastrointestinal [GI] symptoms, and autism characteristics) and their families (caregiver stress, global family functioning, and sibling relations), peers (emotional bonding, number of friends), schools (academic functioning), and neighborhoods (perceived community safety). We used descriptive analyses to identify which aggressive acts were most common among autistic youths, and we performed bivariate correlations and multiple linear regression analyses to determine which characteristics of the youths and their social environments were most strongly linked with youth aggression. Verbally aggressive youth behaviors were endorsed by caregivers most frequently. Youth age and sex were not associated with verbal or physical aggression. A combination of youth and social environment characteristics accounted for 42.6% of the variance in verbal aggression and 26.0% of the variance in physical aggression. Thus, those characteristics most strongly linked with verbal and physical aggression were strained sibling relations, caregiver stress, youth sleep problems, and youth repetitive and restrictive behaviors. Viewed together, the results suggest that aggressive behaviors in autistic youths are associated with multiple characteristics pertaining to the individual youths and their immediate social environments. Implications for treatment and research are discussed.
Characterization of G‐quadruplexes in the Helicobacter pylori genome and assessment of therapeutic potential of G4 ligands
Authors: Kumari Monika , Jaiswal Saumya , Shankar Uma , Gupta Sharad , Pradeepkumar Pushpangadan Indira , Kumar Amit , Nayak Debasis , Yadav Vikas , Yadav Puja
Published: July 2024

Helicobacter pylori, a leading human pathogen associated with duodenal ulcer and gastric cancer, presents a significant threat to human health due to increasing antibiotic resistance rates. This study investigates G‐quadruplexes (G4s), which are non‐canonical secondary structures form in G‐rich regions within the H. pylori genome. Extensive research on G4s in eukaryotes has revealed their role in epigenetically regulating cellular processes like gene transcription, DNA replication, and oncogene expression. However, understanding of G4‐mediated gene regulation in other organisms, especially bacterial pathogens, remains limited. Although G4 motifs have been extensively studied in a few bacterial species such as Mycobacterium, Streptococci, and Helicobacter, research on G4 motifs in other bacterial species is still sparse. Like in other organisms such as archaea, mammals, and viruses, G4s in H. pylori display a non‐random distribution primarily situated within open reading frames of various protein‐coding genes. The occurrence of G4s in functional regions of the genome and their conservation across different species indicates that their placement is not random, suggesting an evolutionary pressure to maintain these sequences at specific genomic sites. Moreover, G‐quadruplexes show enrichment in specific gene classes, suggesting their potential involvement in regulating the expression of genes related to cell wall/membrane/envelope biogenesis, amino acid transport, and metabolism. This indicates a probable regulatory role for G4s in controlling the expression of genes essential for H. pylori survival and virulence. Biophysical techniques such as Circular Dichroism spectroscopy and Nuclear Magnetic Resonance were used to characterize G4 motifs within selected H. pylori genes. The study revealed that G‐quadruplex ligand inhibited the growth of H. pylori, with minimal inhibitory concentrations in the low micromolar range. This suggests that targeting G4 structures could offer a promising approach for developing novel anti‐H. pylori drugs.
Assessment of remdesivir and its nucleoside metabolite in beagle dogs and healthy humans by liquid chromatography coupled with triple quadrupole mass spectrometry
Authors: Dubey Naveen Kumar , Jain Peeyush , Raj Ankit , Tiwari Sandeep
Published: July 2024

The aim of this study was to assess the pharmacokinetics of the existing remdesivir intravenous formulation (100 mg dose) against the newly developed oral formulation (20 mg dose) for remdesivir and its active nucleoside metabolite (GS‐441524) in beagle dogs followed by healthy human volunteers. A quantification method for remdesivir and its active nucleoside metabolite (GS‐441524) in beagle dog and human plasma has been developed and validated using liquid chromatography coupled to triple quadrupole mass spectrometry detection. The analytical methods for beagle dogs and human differ in the calibration curve range, plasma matrix, processing volume, reconstitution volume and injection volume; however all other parameters were same in both methods. A simple protein precipitation extraction was carried out using acetonitrile containing the internal standard remdesivir D5. Remdesivir and GS‐441524 were separated on an Endurus C‐18P, 100 × 4.6 mm, 3 μm column and detected using a mass spectrometer with electrospray ionization in positive ion mode. The ion transitions used were m/z 603.1 → m/z 200.0 for remdesivir, m/z 292.0 → m/z 202.2 for GS‐441524 and m/z 608.2 → m/z 205.1 for remdesivir D5. The calibration curve results were linear in beagle dog plasma (2.0–2,000.8 ng/ml range for remdesivir and 2.0–1,500.4 ng/ml for GS‐441524) and human plasma (30.0–4,503.9 ng/ml range for remdesivir and 2.0–200.4 ng/ml for GS‐441524). The recovery was >90% in beagle dog and human plasma. These methods were successfully used to determine the pharmacokinetic parameters of the intravenous injection and subcutaneous tablets dosage forms in beagle dogs and healthy humans.
Venous thromboembolism incidence and association with overall survival in pancreatic cancer: A Finnish nationwide cohort study
Authors: Aaltonen Panu , Mustonen Harri , Puolakkainen Pauli , Haglund Caj , Peltola Katriina , Carpén Olli , Lassila Riitta , Seppänen Hanna
Published: July 2024

Introduction

Pancreatic cancer (PC) is associated with a high risk of venous thromboembolic events (VTEs). We investigated the incidence of VTE before and after the diagnosis of PC and its association with overall survival.

Methods

We identified PC patients diagnosed in 2013–2016 from the Finnish Cancer Registry. Data on healthcare visits and death were collected, along with follow‐up data through the end of 2020. We compared patients who underwent radical‐intent surgery (RIS) to those who underwent palliative treatment (PT) alone.

Results

We identified 4086 PC patients, of whom 343 (8.4%) underwent RIS and 3743 (91.6%) received PT. VTE incidence within 1 year before a PC diagnosis was higher in the PT (4.2%, n = 156) than in the RIS group (0.6%, n = 2; p < 0.001). The cumulative incidence of VTE at 12 and 24 months after a PC diagnosis was 6% (n = 21) and 9% (n = 31), respectively, within the RIS group, and 8% (n = 286) and 8% (n = 304) within the PT group. In the PT group, a VTE within 1 year before a PC diagnosis was independently associated with a worse survival {hazard ratio, HR 1.9 [95% confidence interval (CI) 1.6–2.2]}. In both groups, VTE after a PC diagnosis was associated with a worse survival [RIS group: HR 2.6 (95%CI 1.8–3.7) vs. PT group: HR 2.2 (95%CI 1.9–2.4)].

Conclusions

A VTE within 1 year before a PC diagnosis more often occurred among PT PC patients than among patients who underwent RIS. VTE might serve as a diagnostic clue to detect PC at an earlier stage.
Proteomic profiling improves prognostic risk stratification of the Sarculator nomogram in soft tissue sarcomas of the extremities and trunk wall
Authors: Chadha Madhumeeta , Iadecola Sara , Jenks Andrew , Pankova Valeriya , Tam Yuen Bun , Burns Jessica , Arthur Amani , Wilding Christopher P. , Chen Liang , Chudasama Priya , Callegaro Dario , Strauss Dirk C. , Thway Khin , Gronchi Alessandro , Jones Robin L. , Miceli Rosalba , Pasquali Sandro , Huang Paul H.
Published: July 2024

Background

High‐risk soft tissue sarcomas of the extremities and trunk wall (eSTS), as defined by the Sarculator nomogram, are more likely to benefit from (neo)adjuvant anthracycline‐based therapy compared to low/intermediate‐risk patients. The biology underpinning these differential treatment outcomes remain unknown.

Methods

We analysed proteomic profiles and clinical outcomes of 123 eSTS patients. A Cox model for overall survival including the Sarculator was fitted to individual data to define four risk groups. A DNA replication protein signature‐Sarcoma Proteomic Module 6 (SPM6) was evaluated for association with clinicopathological factors and risk groups. SPM6 was added as a covariate together with Sarculator in a multivariable Cox model to assess improvement in prognostic risk stratification.

Results

DNA replication and cell cycle proteins were upregulated in high‐risk versus very low‐risk patients. Evaluation of the functional effects of CRISPR‐Cas9 gene knockdown of proteins enriched in high‐risk patients using the cancer cell line encyclopaedia database identified candidate drug targets. SPM6 was significantly associated with tumour malignancy grade (p = 1.6e‐06), histology (p = 1.4e‐05) and risk groups (p = 2.6e‐06). Cox model analysis showed that SPM6 substantially contributed to a better calibration of the Sarculator nomogram (Index of Prediction Accuracy = 0.109 for Sarculator alone versus 0.165 for Sarculator + SPM6).

Conclusions

Risk stratification of patient with STS is defined by distinct biological pathways across a range of cancer hallmarks. Incorporation of SPM6 protein signature improves prognostic risk stratification of the Sarculator nomogram. This study highlights the utility of integrating protein signatures for the development of next‐generation nomograms.
A qualitative assessment of the acceptability of human papillomavirus self‐sampling and informational materials among diverse populations
Authors: Petrik Amanda F. , Rivelli Jennifer S. , Firemark Alison J. , Johnson Cheryl A. , Locher Blake W. , Gille Sara , Najarian Matthew J. , Varga Alexandra M. , Schneider Jennifer L. , Green Beverly , Winer Rachel L.
Published: July 2024

Background

Disparities in cervical cancer screening rates among marginalized groups is a driver of inequalities in cervical cancer. Self‐sampling for human papillomavirus (HPV) testing is a newly emerging alternative to clinician‐performed testing to screen for cervical cancer, and has high potential to reduce screening barriers in under‐screened and marginalized groups. We study the acceptability in of HPV self‐sampling and informational materials among Black/African American, Hispanic/Spanish speaking, American Indian/Alaska Native and transgender/nonbinary populations.

Methods

We conducted qualitative interviews with patients, ages 30–65, who were Black/African American, Hispanic, American Indian, and/or transgender/nonbinary individuals assigned female at birth. Telephone interviews were conducted in English or Spanish. Patients did not complete the test, rather were asked about the attractiveness, comprehensibility, and acceptability of the HPV self‐test, instructions, and messaging.

Results

Among 23 completed interviews (5 American Indian/Alaska Native, 7 Hispanic [2 bilingual, 5 Spanish‐speaking], 5 Black/African American, and 6 transgender/nonbinary), patients from all groups thought the test was straightforward and convenient, and they would complete the test at home or in clinic. The transgender/nonbinary patients preferred at‐home testing. American Indian and transgender/nonbinary patients liked that the test might avoid pain, discomfort, and invasiveness. All patients liked the letter and instructions. All groups had specific suggestions for making the materials more culturally acceptable.

Conclusions

The HPV self‐test and the instructions and materials for use were acceptable for a diverse group of patients. Tailored outreach and messaging should be considered to reduce screening disparities among groups that have been historically underserved by the medical system.
Examining the involvement of guardians of children with acute lymphoblastic leukemia in Tanzania as public contributors to inform the design and conduct of the GuardiansCan project: A mixed‐methods study protocol
Authors: Chiwanga Faraja , Woodford Joanne , Masika Golden , Richards David A. , Savi Victor , von Essen Louise
Published: July 2024

Background

Public contribution in research can lead to the design and conduct of more feasible and relevant research. However, our understanding of the acceptability and feasibility of public contribution and the evidence base regarding its impact in low‐ and middle‐income countries (LMICs) is limited.

Methods

In this study protocol, we describe a mixed‐method examination of public contribution activities in the GuardiansCan project. The GuardiansCan project aims to respond to Tanzanian guardians' poor adherence to children's follow‐up care after treatment for acute lymphoblastic leukemia (ALL) with the help of Mobile Health technology. We aim to: (1) involve guardians of children treated for ALL as Guardians Advisory Board (GAB) members in the managing and undertaking, analysis and interpretation, and dissemination phases of the GuardiansCan project; and (2) examine the acceptability, feasibility, and perceived impact of GAB members' contribution to the GuardiansCan project from the perspective of the GAB members and public contribution coordinators. We will recruit six to eight guardians of children treated for ALL to the GAB. We will hold workshops where GAB members contribute to all project phases. Using impact logs, we will record GAB workshop activities and the perceived impact of these activities. We will interview GAB members and public contribution coordinators 6 months after establishing the GAB, and at the end of each study within the project, to examine the acceptability, feasibility, and perceived impact of public contribution activities.

Discussion

We expect GAB contribution to increase project quality and relevance, and inform how to best embed public contribution in research in LMICs.
Improving access to cancer care among rural populations in India: Development of a validated tool for health system capacity assessment
Authors: Mallafré‐Larrosa Meritxell , Chandran Arunah , Oswal Kunal , Kataria Ishu , Purushotham Arnie , Sankaranarayanan Rengaswamy , Swaminathan Rajaraman , Rebello Rohit , Isaac Rita , Kuriakose Moni , Sullivan Richard , Basu Partha ,   ACCI Consortium
Published: July 2024

Background

Cancer burden in India is rapidly growing, with oral, breast, and uterine cervix being the three most commonly affected sites. It has a catastrophic epidemiological and financial impact on rural communities, the vast majority of whom are socio‐economically disadvantaged. Strengthening the health system is necessary to address challenges in the access and provision of cancer services, thus improving outcomes among vulnerable populations.

Objective

To develop, test, and validate a health system capacity assessment (HSCA) tool that evaluates the capacity and readiness for cancer services provision in rural India.

Methods

A multi‐method process was pursued to develop a cancer‐specific HSCA tool. Firstly, item generation entailed both a nominal group technique (to identify the health system dimensions to capture) and a rapid review of published and gray literature (to generate items within each of the selected dimensions). Secondly, tool development included the pre‐testing of questionnaires through healthcare facility visits, and item reduction through a series of in‐depth interviews (IDIs) with key local stakeholders. Thirdly, tool validation was performed through expert consensus.

Results

A three‐step HSCA multi‐method tool was developed comprising: (a) desk review template, investigating policies and protocols at the state level, (b) facility assessment protocol and checklist, catering to the Indian public healthcare system, and (c) IDI topic guide, targeting policymakers, healthcare workforce, and other relevant stakeholders.

Conclusions

The resulting HSCA tool assesses health system capacity, thus contributing to the planning and implementation of context‐appropriate, sustainable, equity‐focused, and integrated early detection interventions for cancer control, especially toward vulnerable populations in rural India and other low‐resource settings.
Extreme Learning Machine Combined With Whale Optimization Algorithm for Spectral Quantitative Analysis of Complex Samples
Authors: Liu Yuxia , Sun Hao , Zhao Chunyan , Ai Changkun , Bian Xihui
Published: July 2024

Extreme learning machine (ELM) is combined with the discretized whale optimization algorithm (WOA) for spectral quantitative analysis of complex samples. In this method, the spectral variables selected by the discretized WOA were used to build the ELM model. Before establishing the model, the activation function and the number of hidden nodes in ELM as well as the transfer function of the discretized WOA are determined. Furthermore, the predictive performance of the full‐spectrum partial least squares (PLS), ELM, and WOA‐ELM models was compared with four complex sample datasets: blood, light gas oil and diesel fuels, ternary mixture, and corn samples using root mean square error of prediction (RMSEP) and correlation coefficient (R). The results show that the WOA‐ELM model has the best prediction accuracy compared to full‐spectrum PLS and ELM models. Therefore, the proposed method provides a novel approach for the quantitative analysis of complex samples.
Investigating the Catalytic Site of Human 15‐Lipoxygenase‐1 via Marine Natural Products
Authors: Spacho Ntaniela , Casertano Marcello , Imperatore Concetta , Papadopoulos Christos , Menna Marialuisa , Eleftheriadis Nikolaos
Published: July 2024

Human 15‐lipoxygenase‐1 (15‐LOX‐1) is a key enzyme that possesses an important role in (neuro)inflammatory diseases. The pocket of the enzyme plays the role of a chiral catalyst, and therefore chirality could be an important component for the design of effective enzyme inhibitors. To advance our knowledge on this concept, we developed a library of the identified chiral 15‐LOX‐1 inhibitors and applied cheminformatic tools. Our analysis highlighted specific structural elements, which we integrated them in small molecules, and employed them as “smart” tools to effectively navigate the chemical space of previously unexplored regions. To this purpose, we utilized the marine derived natural product phosphoeleganin (PE) among with a small library of synthetic fragment derivatives, including a certain degree of stereochemical diversity. Enzyme inhibition/kinetic and molecular modelling studies has been performed in order to characterize structurally novel PE‐based inhibitors, which proved to present a different type of inhibition with low micromolar potency, according to their structural features. We demonstrate that different warheads work as anchor, and either guide specific stereochemistry, or causing a time‐depended inhibition. Finally, we prove that the positioning of the chiral substituents or/and the favorable stereochemistry can be crucial, as it can lead from active to completely inactive compounds.
Modelling a chemical plant using grey‐box models employing the support vector regression and artificial neural network
Authors: Ghasemi Mahmood , Jazayeri‐Rad Hooshang , Behbahani Reza Mosayebi
Published: July 2024

In this work, the performances of a nonlinear dynamic industrial process are examined using grey‐box (GB) models. To understand the dynamics of the system, the transient state is targeted. A white‐box (WB) model holds the prevailing knowledge using some assumptions. The performance of this model is limited. Artificial neural network (ANN) and support vector regression (SVR), which are techniques employed in numerous chemical engineering applications, are employed to construct the associated black‐box (BB) models. GA is used to optimize the SVR parameters. Dimensional and range extrapolations of different manipulated inputs, feed concentrations, feed temperatures, and cooling temperatures of the GB model and BB model are discussed. The different inputs extrapolation has different results because each input's effectiveness in the system is different. The results are compared, and the best model is suggested among the models, ANN, SVR, first principle (FP)‐ANN serial structure, FP‐ANN parallel structure, FP‐SVR serial structure, and FP‐SVR parallel structure.
Leaching phosphorous from the lime mud of kraft pulp mills: Towards sustainability
Authors: Mousavi Maryam Sadegh , DeMartini Nikolai
Published: July 2024

The optimum conditions needed to separate phosphorus from the lime mud generated in kraft pulp mills were identified using different leaching solutions including carbonate, bicarbonate, and green liquor under variety of conditions. Carbonate ions seemed to be the active ion in the phosphorus leaching process. Bicarbonate solution seems to be the most effective leaching agent by removing 84% of phosphorus under the optimum operating conditions of 95°C, 2.92 m, and solution‐to‐ mud mass ratio of 3.6. The shrinking core model was used to determine the leaching mechanism and it showed that the leaching process is controlled by a mix of chemical reaction and diffusion through the particle. Two empirical models were developed to predict the leaching efficiency as a function of carbonate concentration and temperature. Counter‐current leaching was shown to be beneficial in increasing the leaching efficiency with the carbonate solutions.
Enantioselective Total Synthesis of (+)‐Propolisbenzofuran B†
Authors: Xu Wen‐Xiu , Zhao Li‐Han , Zhu Yao , Lu Hai‐Hua
Published: July 2024

Comprehensive Summary

The first catalytic asymmetric total synthesis of (+)‐propolisbenzofuran B, enabled by a highly enantioselective rhodium‐catalyzed hydrogenation of a tetrasubstituted olefin, was described. Other noteworthy aspects include the construction of the central hydrodibenzo[b,d]furan core through a sequence of Zn(II)‐mediated regioselective benzofuran formation and Dieckmann condensation, as well as C‐H oxidations, involving a visible light‐induced Fe(III)‐catalyzed benzylic C(sp3)‐H oxidation. Additionally, the absolute configuration was confirmed by X‐ray analysis of a carbonate intermediate.