bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of the Sea Surface Temperature in the North‐Eastern Tropical Atlantic on Precipitation Over Senegal
Authors: Thiam Mamadou , Oruba Ludivine , de Coetlogon Gaelle , Wade Malick , Diop Bouya , Farota Abdou Karim
Published: January 2024

This study examines 40 years of monthly precipitation data in Senegal (1979–2018) using Climatic Research Unit observations and ERA5 reanalyzes, aiming to understand the influence of oceanic and atmospheric factors on Senegal's precipitation in July, August and September (JAS). The variability of Senegal's precipitation is first compared with that of the broader Sahel region: although they share a significant portion of their variance, Senegal appears more closely related to the Northeastern Tropical Atlantic (NETA) Sea Surface Temperature (SST). A detailed examination of this region reveals that Senegal's increased precipitation is linked to the northward shift of the InterTropical Convergence Zone, consistent with numerous previous studies. Over the continent, this shift corresponds to a northward shift of the African Easterly Jet (AEJ) and, consequently, the mesoscale convective systems (MCSs) responsible for most precipitation. It seems primarily driven by the northward shift of the Heat Low. Over the ocean just west of Senegal, there is a comparable shift of the AEJ, accompanied by an increase in low‐level moisture transport convergence within the West African Westerly Jet (WAWJ) which explains the majority of the increase in JAS precipitation in Senegal. This phenomenon is triggered by a negative pressure anomaly in the NETA, located above a positive SST anomaly: we suggest that the latter is the origin of the former, forming a feedback mechanism that potentially significantly influences Senegal's precipitation. The mechanism involves a geostrophic adjustment of the WAWJ to the southern gradients of the SST anomaly.
Geologic History of Deuteronilus Cavus in the Ismenius Lacus Region, Mars
Authors: Wueller Lukas , Iqbal Wajiha , Hiesinger Harald , Head James W.
Published: January 2024

The Ismenius Lacus region of Mars has a diverse geological history, and we present the first high‐resolution map of Deuteronilus Cavus (36.2°N; 14.0°E, ∼120 km diameter) in the fretted terrain south of the dichotomy boundary. Strong evidence suggests a volcanic origin of the regional plains, based on the ∼50 m thick volcanic bed underlying 180–300 m of sublimation residue associated with Amazonian plateau glaciation. Pervasive external volcanic flooding, internal erosional modification, and enlargement of a pre‐existing crater by up to 175%–200% resulted in the cavus' present shape. The phyllosilicates detected within Deuteronilus Cavus could be primary materials associated with the surficial aqueous activity, subsurface alteration products excavated by impacts, or a combination of both. We observe branching fluvial channels that are more recent than the traditional valley networks and may be related to fretted terrain resurfacing during the waning period of a high‐obliquity glaciation phase. This is consistent with our interpretation of the ∼600 m thick lobate and lineated deposits, which are remnants of receding glaciers. The glacial ice, protected by a 15–20 m insulating layer of debris cover, is of significant interest for future landing missions because of its potential to preserve biological and climatological signatures, to provide a critical test of Amazonian plateau glaciation, and to be used for in situ resource utilization. With our detailed geological mapping, we improved our understanding of the geological evolution and climatic conditions in the enigmatic fretted terrain near the dichotomy boundary.
The Impact of Radiative Transfer at Reduced Spectral Resolution in Large‐Eddy Simulations of Convective Clouds
Authors: Veerman M. A. , Pincus R. , Mlawer E. J. , van Heerwaarden C. C.
Published: January 2024

Many radiative transfer schemes approximate the spectral integration over ∼105 to ∼106 wavelengths with correlated k‐distributions methods that typically require only 101–102 spectral integration points (g‐points). The exact number of g‐points is then chosen as an optimal balance between computational costs and accuracy, normally assessed in terms of a number of radiative quantities. How this radiative accuracy propagates to simulation accuracy, however, is not straightforward. In this study, we therefore explore the sensitivity of cloud properties in large‐eddy simulations (LES) to the accuracy of radiative fluxes and heating rates. We first generate smaller sets of g‐points from existing k‐distributions by repeatedly combining adjacent g‐points while maintaining the highest possible accuracy on a chosen set of radiative metrics. Next, we perform three sets of LES with varying cloud—radiation coupling pathways, and therefore different requirements for the accuracy of the radiative transfer computations, to investigate how these smaller and thus less accurate k‐distributions affect simulation characteristics. The decrease in radiative accuracy with 3–4 times smaller k‐distributions results in biases in cloud properties that are relative small compared to their temporal fluctuations. These results show potential for speeding up radiative transfer computations in cloud‐resolving models by reducing the resolved spectral detail. However, more statistically converged simulations and a wider set of case studies is required to fully assess the robustness of our results.
Genetic constraints in genes exhibiting splicing plasticity in facultative diapause
Authors: Steward Rachel A. , Pruisscher Peter , Roberts Kevin T. , Wheat Christopher W.
Published: January 2024

Phenotypic plasticity is produced and maintained by processes regulating the transcriptome. While differential gene expression is among the most important of these processes, relatively little is known about other sources of transcriptional variation. Previous work suggests that alternative splicing plays an extensive and functionally unique role in transcriptional plasticity, though plastically spliced genes may be more constrained than the remainder of expressed genes. In this study, we explore the relationship between expression and splicing plasticity, along with the genetic diversity in those genes, in an ecologically consequential polyphenism: facultative diapause. Using 96 samples spread over two tissues and 10 timepoints, we compare the extent of differential splicing and expression between diapausing and direct developing pupae of the butterfly Pieris napi. Splicing differs strongly between diapausing and direct developing trajectories but alters a smaller and functionally unique set of genes compared to differential expression. We further test the hypothesis that among these expressed loci, plastically spliced genes are likely to experience the strongest purifying selection to maintain seasonally plastic phenotypes. Genes with unique transcriptional changes through diapause consistently had the lowest nucleotide diversity, and this effect was consistently stronger among genes that were differentially spliced compared to those with just differential expression through diapause. Further, the strength of negative selection was higher in the population expressing diapause every generation. Our results suggest that maintenance of the molecular mechanisms involved in diapause progression, including post-transcriptional modifications, are highly conserved and likely to experience genetic constraints, especially in northern populations of P. napi.
Cell-type-specific CAG repeat expansions and toxicity of mutant Huntingtin in human striatum and cerebellum
Authors: Mätlik Kert , Baffuto Matthew , Kus Laura , Deshmukh Amit Laxmikant , Davis David A. , Paul Matthew R. , Carroll Thomas S. , Caron Marie-Christine , Masson Jean-Yves , Pearson Christopher E. , Heintz Nathaniel
Published: January 2024

Brain region-specific degeneration and somatic expansions of the mutant Huntingtin (mHTT) CAG tract are key features of Huntington’s disease (HD). However, the relationships among CAG expansions, death of specific cell types and molecular events associated with these processes are not established. Here, we used fluorescence-activated nuclear sorting (FANS) and deep molecular profiling to gain insight into the properties of cell types of the human striatum and cerebellum in HD and control donors. CAG expansions arise at mHTT in striatal medium spiny neurons (MSNs), cholinergic interneurons and cerebellar Purkinje neurons, and at mutant ATXN3 in MSNs from SCA3 donors. CAG expansions in MSNs are associated with higher levels of MSH2 and MSH3 (forming MutSβ), which can inhibit nucleolytic excision of CAG slip-outs by FAN1. Our data support a model in which CAG expansions are necessary but may not be sufficient for cell death and identify transcriptional changes associated with somatic CAG expansions and striatal toxicity.
Effects of the WHO Labour Care Guide on cesarean section in India: a pragmatic, stepped-wedge, cluster-randomized pilot trial
Authors: Vogel Joshua P. , Pujar Yeshita , Vernekar Sunil S. , Armari Elizabeth , Pingray Veronica , Althabe Fernando , Gibbons Luz , Berrueta Mabel , Somannavar Manjunath , Ciganda Alvaro , Rodriguez Rocio , Bendigeri Savitri , Kumar Jayashree Ashok , Patil Shruti Bhavi , Karinagannanavar Aravind , Anteen Raveendra R. , Mallappa Ramachandrappa Pavithra , Shetty Shukla , Bommanal Latha , Haralahalli Mallesh Megha , Gaddi Suman S. , Chikkagowdra Shaila , Raghavendra Bellara , Homer Caroline S. E. , Lavender Tina , Kushtagi Pralhad , Hofmeyr G. Justus , Derman Richard , Goudar Shivaprasad
Published: January 2024

Cesarean section rates worldwide are rising, driven by medically unnecessary cesarean use. The new World Health Organization Labour Care Guide (LCG) aims to improve the quality of care for women during labor and childbirth. Using the LCG might reduce overuse of cesarean; however, its effects have not been evaluated in randomized trials. We conducted a stepped-wedge, cluster-randomized pilot trial in four hospitals in India to evaluate the implementation of an LCG strategy intervention, compared with routine care. We performed this trial to pilot the intervention and obtain preliminary effectiveness data, informing future research. Eligible clusters were four hospitals with >4,000 births annually and cesarean rates ≥30%. Eligible women were those giving birth at ≥20 weeks’ gestation. One hospital transitioned to intervention every 2 months, according to a random sequence. The primary outcome was the cesarean rate among women in Robson Group 1 (that is, those who were nulliparous and gave birth to a singleton, term pregnancy in cephalic presentation and in spontaneous labor). A total of 26,331 participants gave birth. A 5.5% crude absolute reduction in the primary outcome was observed (45.2% versus 39.7%; relative risk 0.85, 95% confidence interval 0.54–1.33). Maternal process-of-care outcomes were not significantly different, though labor augmentation with oxytocin was 18.0% lower with the LCG strategy. No differences were observed for other health outcomes or women’s birth experiences. These findings can guide future definitive effectiveness trials, particularly in settings where urgent reversal of rising cesarean section rates is needed. Clinical Trials Registry India number: CTRI/2021/01/030695.
Differential peripheral immune signatures elicited by vegan versus ketogenic diets in humans
Authors: Link Verena M. , Subramanian Poorani , Cheung Foo , Han Kyu Lee , Stacy Apollo , Chi Liang , Sellers Brian A. , Koroleva Galina , Courville Amber B. , Mistry Shreni , Burns Andrew , Apps Richard , Hall Kevin D. , Belkaid Yasmine
Published: January 2024

Nutrition has broad impacts on all physiological processes. However, how nutrition affects human immunity remains largely unknown. Here we explored the impact of a dietary intervention on both immunity and the microbiota by performing a post hoc analysis of a clinical trial in which each of the 20 participants sequentially consumed vegan or ketogenic diets for 2 weeks (NCT03878108). Using a multiomics approach including multidimensional flow cytometry, transcriptomic, proteomic, metabolomic and metagenomic datasets, we assessed the impact of each diet, and dietary switch, on host immunity and the microbiota. Our data revealed that overall, a ketogenic diet was associated with a significant upregulation of pathways and enrichment in cells associated with the adaptive immune system. In contrast, a vegan diet had a significant impact on the innate immune system, including upregulation of pathways associated with antiviral immunity. Both diets significantly and differentially impacted the microbiome and host-associated amino acid metabolism, with a strong downregulation of most microbial pathways following ketogenic diet compared with baseline and vegan diet. Despite the diversity of participants, we also observed a tightly connected network between datasets driven by compounds associated with amino acids, lipids and the immune system. Collectively, this work demonstrates that in diverse participants 2 weeks of controlled dietary intervention is sufficient to significantly and divergently impact host immunity, which could have implications for precision nutritional interventions. ClinicalTrials.gov registration: NCT03878108.
G-quadruplexes in MTOR and induction of autophagy
Authors: Majumder Piyali , Shukla Chinmayee , Arya Arjun , Sharma Shubham , Datta Bhaskar
Published: January 2024

G-quadruplex (G4) structures have emerged as singular therapeutic targets for cancer and neurodegeneration. Autophagy, a crucial homeostatic mechanism of the cell, is often dysregulated in neurodegenerative diseases and cancers. We used QGRS mapper to identify 470 G4 sequences in MTOR, a key negative regulator of autophagy. We sought to identify a functional context by leveraging the effect of G4-targeting ligands on MTOR G4 sequences. The effect of Bis-4,3, a G4 selective dimeric carbocyanine dye, was compared with the known G4-stabilizing activity of the porphyrin, TMPyP4 in HeLa and SHSY-5Y cells. Our results show that treatment with G4-selective ligands downregulates MTOR RNA and mTOR protein expression levels. This is the first report describing G4 motifs in MTOR. This study indicates a possible role of G4 stabilizing ligands in induction of autophagy by downregulation of mTOR levels, albeit not precluding MTOR independent pathways.
Stability-indicating UPLC assay coupled with mass spectrometry for the analysis of vilanterol degradation products in human urine
Authors: Tarek Mohamed , Wagdy Hebatallah A. , Hegazy Maha A. , Ghoniem Nermine S.
Published: January 2024

Vilanterol is a once-daily dose inhaler prescribed for asthma and chronic obstructive pulmonary disease. This study involved an investigation of vilanterol stability under acidic, basic, oxidative, thermal, and photolytic stress conditions. UPLC method was developed and validated for the analysis of vilanterol with its degradants. The drug was stable under photolytic and thermal stress conditions and degraded under acidic, basic, and oxidative stress conditions. Degradation kinetics was performed for acidic, basic and oxidative stress conditions. Kinetics parameters, K, half-life time (t1/2) and shelf-life time (t90) were assessed, and the degradation followed first order reaction. The method was linear from 0.10 to 100.00 µg mL−1 with accuracy, inter-day and intra-day precision from 99.45 to 100.02%, 0.391–0.694 and 0.041–0.345, respectively. Mass spectrometry was employed to elucidate the structure of the degradants, and the results revealed that certain degradation products were comparable to vilanterol metabolites. The World Anti-Doping Agency has prohibited the presence of vilanterol and its metabolites in athletes’ urine except for exercise bronchoconstriction with limited dose. So, quantification of vilanterol in the presence of its degradants was performed in human urine. The results revealed that the method was linear in range of 1.00 to 100.00 µg mL−1. Samples collection and experimental protocol was performed according to the guidelines of the Research Ethics Committee of the Faculty of Pharmacy, the British University in Egypt with approval No. CH-2305.
Exciplex-forming cohost systems with 2,7-dicyanofluorene acceptors for high efficiency red and deep-red OLEDs
Authors: Chen Yi-Sheng , Lin I-Hung , Huang Hsin-Yuan , Liu Shun-Wei , Hung Wen-Yi , Wong Ken-Tsung
Published: January 2024

Two 2,7-dicyaonfluorene-based molecules 27-DCN and 27-tDCN are utilized as acceptors (A) to combine with hexaphenylbenzene-centered donors (D) TATT and DDT-HPB for probing the exciplex formation. The photophysical characteristics reveal that the steric hindered 27-tDCN not only can increase the distance of D and A, resulting in a hypsochromic emission, but also dilute the concentration of triplet excitons to suppress non-radiative process. The 27-tDCN-based exciplex-forming blends exhibit better photoluminescence quantum yield (PLQY) as compared to those of 27-DCN-based pairs. In consequence, among these D:A blends, the device employing DDT-HPB:27-tDCN blend as the emissiom layer (EML) exhibits the best EQE of 3.0% with electroluminescence (EL) λmax of 542 nm. To further utilize the exciton electrically generated in exciplex-forming system, two D–A–D-configurated fluorescence emitter DTPNT and DTPNBT are doped into the DDT-HPB:27-tDCN blend. The nice spectral overlap ensures fast and efficient Förster energy transfer (FRET) process between the exciplex-forming host and the fluorescent quests. The red device adopting DDT-HPB:27-tDCN:10 wt% DTPNT as the EML gives EL λmax of 660 nm and maximum external quantum efficiency (EQEmax) of 5.8%, while EL λmax of 685 nm and EQE of 5.0% for the EML of DDT-HPB:27-tDCN:10 wt% DTPNBT. This work manifests a potential strategy to achieve high efficiency red and deep red OLED devices by incorporating the highly fluorescent emitters to extract the excitons generated by the exciplex-forming blend with bulky acceptor for suppressing non-radiative process.
Network structure shapes the impact of diversity in collective learning
Authors: Baumann Fabian , Czaplicka Agnieszka , Rahwan Iyad
Published: January 2024

It is widely believed that diversity arising from different skills enhances the performance of teams, and in particular, their ability to learn and innovate. However, diversity has also been associated with negative effects on the communication and coordination within collectives. Yet, despite the importance of diversity as a concept, we still lack a mechanistic understanding of how its impact is shaped by the underlying social network. To fill this gap, we model skill diversity within a simple model of collective learning and show that its effect on collective performance differs depending on the complexity of the task and the network density. In particular, we find that diversity consistently impairs performance in simple tasks. In contrast, in complex tasks, link density modifies the effect of diversity: while homogeneous populations outperform diverse ones in sparse networks, the opposite is true in dense networks, where diversity boosts collective performance. Our findings also provide insight on how to forge teams in an increasingly interconnected world: the more we are connected, the more we can benefit from diversity to solve complex problems.
Bile acid profiles in adult patients with biliary atresia who achieve native liver survival after portoenterostomy
Authors: Takeda Masahiro , Takei Hajime , Suzuki Mitsuyoshi , Tsukui Takafumi , Tsuboi Koichi , Watayo Hiroko , Ochi Takanori , Koga Hiroyuki , Nittono Hiroshi , Yamataka Atsuyuki
Published: January 2024

Bile acids have received increasing attention as a marker of the long-term prognosis and a potential therapeutic target in patients with biliary atresia, which is a progressive disease of the hepatobiliary system. A detailed analysis of serum and urinary bile acid compositions was conducted to assess the characteristics of bile acid profiles and the correlation between bile acid profiles and liver fibrosis markers in adult patients with biliary atresia who achieved bilirubin normalization. Serum total bile acids and glucuronide-conjugated (glyco- and tauro-) cholic acids (GCA and TCA) and chenodeoxycholic acids (GCDCA and TCDCA) were significantly higher in patients with biliary atresia than in healthy controls, whereas unconjugated CA and CDCA showed no significant difference. There were no significant differences in CA to CDCA ratios and glycine-to-taurine-conjugated ratios. Urinary glycocholic acid 3-sulfate (GCA-3S) was significantly higher in patients with biliary atresia. Serum GCDCA showed a strong positive correlation with Mac-2 binding protein glycosylation isomer (M2BPGi). These results demonstrate that bile acid congestion persists into adulthood in patients with biliary atresia, even after cholestasis has completely improved after Kasai portoenterostomy. These fundamental data on bile acid profiles also suggest the potential value of investigating bile acid profiles in patients with biliary atresia.
Prediction of linear B-cell epitopes based on protein sequence features and BERT embeddings
Authors: Liu Fang , Yuan ChengCheng , Chen Haoqiang , Yang Fei
Published: January 2024

Linear B-cell epitopes (BCEs) play a key role in the development of peptide vaccines and immunodiagnostic reagents. Therefore, the accurate identification of linear BCEs is of great importance in the prevention of infectious diseases and the diagnosis of related diseases. The experimental methods used to identify BCEs are both expensive and time-consuming and they do not meet the demand for identification of large-scale protein sequence data. As a result, there is a need to develop an efficient and accurate computational method to rapidly identify linear BCE sequences. In this work, we developed the new linear BCE prediction method LBCE-BERT. This method is based on peptide chain sequence information and natural language model BERT embedding information, using an XGBoost classifier. The models were trained on three benchmark datasets. The model was training on three benchmark datasets for hyperparameter selection and was subsequently evaluated on several test datasets. The result indicate that our proposed method outperforms others in terms of AUROC and accuracy. The LBCE-BERT model is publicly available at: https://github.com/Lfang111/LBCE-BERT.
Deep learning for protein structure prediction and design—progress and applications
Authors: Jänes Jürgen , Beltrao Pedro
Published: January 2024

Proteins are the key molecular machines that orchestrate all biological processes of the cell. Most proteins fold into three-dimensional shapes that are critical for their function. Studying the 3D shape of proteins can inform us of the mechanisms that underlie biological processes in living cells and can have practical applications in the study of disease mutations or the discovery of novel drug treatments. Here, we review the progress made in sequence-based prediction of protein structures with a focus on applications that go beyond the prediction of single monomer structures. This includes the application of deep learning methods for the prediction of structures of protein complexes, different conformations, the evolution of protein structures and the application of these methods to protein design. These developments create new opportunities for research that will have impact across many areas of biomedical research.
External standard calibration method for high-repetition-rate shock tube kinetic studies with synchrotron-based time-of-flight mass spectrometry
Authors: Cano Ardila Fabian E. , Nagaraju Sharath , Tranter Robert S. , Garcia Gustavo A. , Desclaux Anthony , Roque Ccacya Anthony , Chaumeix Nabiha , Comandini Andrea
Published: January 2024

A new calibration method is proposed and tested to correct the experimental species time-profiles for variation of the pressure inside miniature, high-repetition-rate shock tubes coupled to synchrotron-based photoionization mass spectrometry.
Oleic acid differentially affects lipid droplet storage of de novo synthesized lipids in hepatocytes and adipocytes
Authors: Castillo Hannah B. , Shuster Sydney O. , Tarekegn Lydia H. , Davis Caitlin M.
Published: January 2024

This work introduces a multiplexed sub-micron vibrational imaging technique to monitor differential effects of oleic acid in adipocytes and hepatocytes.
A two-dimensional metal–organic framework assembled from scandium-based cages for the selective capture of sulfur hexafluoride
Authors: Wang Hao , Shi Le , Xiong Zhangyi , Ma Si , Cao Honghao , Cai Shijia , Qiao Zhiwei , Pan Jun , Chen Zhijie
Published: January 2024

A two-dimensional metal–organic framework assembled from scandium-based octahedral cages for the selective capture of sulfur hexafluoride.
Design and assembly of porous organic cages
Authors: Xu Zezhao , Ye Yangzhi , Liu Yilan , Liu Huiyu , Jiang Shan
Published: January 2024

This comprehensive review provides various perspectives on porous organic cages, encompassing their synthesis methods, structural attributes, material properties, computational methodologies, and diverse applications.
Insights into interfacial mechanisms: CsPbBr3 nanocrystals as sustainable photocatalysts for primary amine oxidation
Authors: Ahlawat Monika , Govind Rao Vishal
Published: January 2024

This study highlights CsPbBr3 nanocrystals as a potent photocatalyst for oxidative coupling of primary amines to imines, where interfacial interactions markedly impact the reaction yield.
π-Extended nonplanar cobalt porphyrins immobilized on MWCNTs as efficient electrocatalysts for selective oxygen reduction reaction
Authors: Bulbul Amir Sohel , Rathour Vikram , Ganesan Vellaichamy , Sankar Muniappan
Published: January 2024

Two π-extended nonplanar cobalt porphyrins embedded MWCNTs manifested efficient electrocatalysts for selective ORR under ambient conditions with excellent methanol tolerance and high stability due to effective π–π interactions.
An open-cage bis[60]fulleroid as an electron transport material for tin halide perovskite solar cells
Authors: Liu Wentao , Huang Guanglin , Chen Chien-Yu , Tan Tiancheng , Fuyuki Harata , Hu Shuaifeng , Nakamura Tomoya , Truong Minh Anh , Murdey Richard , Hashikawa Yoshifumi , Murata Yasujiro , Wakamiya Atsushi
Published: January 2024

An open-cage bis[60]fulleroid, OC, was applied as an ETM for Sn-based PSCs and achieved PCEs of 9.6% due to the well-aligned energy levels with Sn-based perovskites. The vacuum deposition for OC to be an ETM layer was also studied.
Iodine(iii)-promoted oxidative carbotrifluoromethylation of maleimides with imidazopyridines and Langlois’ reagent
Authors: Lai Dipti , Bhattacharjee Suvam , Mandal Saurodeep , Ghosh Sumit , Sahoo Prithidipa , Sinha Subrata , Hajra Alakananda
Published: January 2024

Herein, we report a metal-free protocol for oxidative carbotrifluoromethylation of maleimides with imidazopyridines and Langlois’ reagent using PIDA as an oxidant.
Diamond lattice in single-component molecular crystals comprising tetrabenzoporphyrin neutral radicals
Authors: Mine Kosuke , Arae Sachie , Murakawa Hiroshi , Tsuchiizu Masahisa , Hanasaki Noriaki , Matsuda Masaki
Published: January 2024

Single-component molecular crystals of [MIII(tbp˙−)L2] neutral radicals, forming the diamond lattice, were fabricated as potential candidates for the three-dimensional Dirac electron system.
Insights into non-covalent interactions in dicopper(ii,ii) complexes bearing a naphthyridine scaffold: anion-dictated electrochemistry
Authors: De Tovar Jonathan , Philouze Christian , Thibon-Pourret Aurore , Belle Catherine
Published: January 2024

A naphthyridine-based bis(μ-hydroxido)dicopper(ii,ii) family of complexes exhibits anions influencing their electrochemical properties through non-covalent interactions.
An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy
Authors: Stirk Alexander J. , Holmes Sean T. , Souza Fabio E. S. , Hung Ivan , Gan Zhehong , Britten James F. , Rey Allan W. , Schurko Robert W.
Published: January 2024

We characterize an ionic cocrystal of ponatinib HCl using X-ray diffraction and solid-state NMR. Multinuclear NMR, with ultra-high fields up to 35.2 T, lays the groundwork for characterization of complex crystals in the absence of diffraction data.
Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study
Authors: Guerrero-García Pablo , Cepeda Javier , Ortega-Muñoz Mariano , García Jose Angel , Navarro Amparo , Choquesillo-Lazarte Duane , Rojas Sara , Diéguez Antonio Rodríguez , Quesada-Moreno María Mar , Vitórica-Yrezábal Iñigo J.
Published: January 2024

Herein, we report the synthesis and photoluminescence properties of a new 1,3-dioxo-2-(1H-tetrazol-5-yl)-2,3-dihydro-1H-benzo[de]isoquinoline-6,7-dicarboxylic (H3L) ligand and three coordination polymers (CPs).
Facile electrolysis-solvothermal synthesis of NiOx/graphene for enhanced ethanol oxidation to acetate
Authors: Zhao Man , Yang Xuemin , Fu Zimei , Wang Wenxiang , Wen Wei , Xiao He , Zhang Li , Zhang Junming , Lv Baoliang , Jia Jianfeng
Published: January 2024

Synergistic catalytic mechanism for ethanol oxidation to acetate on NiOx/G prepared by a facile electrolysis method.
Obtaining superior high-density fused-ring energetic materials via the introduction of carbonyl, o-NH2–NO2 and nitroamino groups
Authors: Guo Xiaoyu , Feng Yizhen , Zhi Shengjie , Fu Yajie , Liu Yingle , Liu Qiangqiang , Gao Haixiang
Published: January 2024

Two advanced energetic materials were synthesized via introducing carbonyl and o-NH2–NO2 groups into energetic fused-ring compounds. A comparative study has demonstrated that the density and detonation performance of these energetic materials could be effectively improved.
Role of Fe decoration on the oxygen evolving state of Co3O4 nanocatalysts
Authors: Haase Felix T. , Ortega Eduardo , Saddeler Sascha , Schmidt Franz-Philipp , Cruz Daniel , Scholten Fabian , Rüscher Martina , Martini Andrea , Jeon Hyo Sang , Herzog Antonia , Hejral Uta , Davis Earl M. , Timoshenko Janis , Knop-Gericke Axel , Lunkenbein Thomas , Schulz Stephan , Bergmann Arno , Roldan Cuenya Beatriz
Published: January 2024

Electrocatalytic OER activity of Co3O4 is enhanced by Fe near-surface decoration with a more pronounced formation of Co–FeOx(OH)y reaction zones comprising distinct redox-active Fe3+ and Co2+ sites as shown by comprehensive operando studies.
Time-resolved surface reaction kinetics in the pressure gap
Authors: Chien Tzu-En , Hohmann Lea , Harding Dan J.
Published: January 2024

We extend the use of our recently developed Near-Ambient Pressure Velocity Map Imaging (NAP-VMI) technique to study the kinetics and dynamics of catalytic reactions in the pressure gap.
Dynamics of collisions and uptake of alcohol molecules with hydrated nitric acid clusters
Authors: Fárníková Karolína , Pluhařová Eva , Pysanenko Andrij , Fárník Michal , Yan Yihui , Lengyel Jozef
Published: January 2024

The uptake cross sections in collisions of different alcohol molecules with hydrated nitric acid clusters are measured using a molecular beam experiment. Complementary molecular dynamics simulations elucidate the processes.
Tailoring the molecular weight of isosorbide-derived polycarbonates via regulating the H-bond donor/acceptor ability of task-specific ionic liquid catalysts
Authors: Qian Wei , Ma Xifei , Fu Mengqian , Chen Minggong , Yang Zhonglian , Su Qian , Cheng Weiguo
Published: January 2024

A sustainable strategy for synthesizing ISB-based polycarbonate (PIC) with adjustable molecular weight has been developed, utilizing the CO2-based compound dimethyl carbonate (DMC) as a monomer and ionic liquids (ILs) as metal-free catalysts.
Green liquid marble-based hydrogels as pesticidal pyrethrin slow-release carriers
Authors: Li Qin , Wang Changhong , He Jiayuan , Yang Dandan , Li Ting , Xu Huixian , Shen Weifeng , Zhou Liandi , Jin Saimeng , Zhang Qihui , Clark James H.
Published: January 2024

Pyrethrins are effective agents against mosquito larvae, but their rapid degradation rate in water reduces their deinsectization efficiency and increases the cost of deinsectization.
One-step separation and recovery of copper and sulfur by electrolysis in deep eutectic solvents
Authors: Li Jihua , Xu Yucheng , Zhou Jinfeng , Chen Weijia , He Shiwei , Hua Zhongsheng , Kong Hui
Published: January 2024

In this study, Cu2S was dissolved in Reline DES, and then separated and recovered as copper and sulfur by one-step electrolysis.
Fabricating CdS/Ag/BiVO4 Z-heterojunction for solvent-free photocatalytic oxidation of amines
Authors: Zhang Ting , Wang Weitao , Jiang Xulu , Wang Huan , He Zhen-Hong , Yang Yang , Wang Kuan , Liu Zhao-Tie , Han Buxing
Published: January 2024

Z-heterojunction CdS/Ag/BiVO4 can exclusively and efficiently produce N-benzylidenebenzylamine under solvent-free photocatalytic condition.
LIBS analysis of elemental carbon and fixed carbon in coal by dual-cycle regression based on matrix-matched calibration
Authors: Zhu Shengen , Song Guangdong , Zhang Wenhao , Zhang Yu , Wei Yubin , Zhang Qinduan , Chen Duo , Li Jianfei , Sun Tengfei
Published: January 2024

The accuracy of LIBS coal quality detection was improved after matrix calibration, and the coal was evaluated by using the carbon dioxide emission level and net calorific value.
Heterostructured grafting of NiFe-layered double hydroxide@TiO2 for boosting photoelectrochemical cathodic protection
Authors: Wang Zhi-Jun , Xie Hui , Jun Seong Chan , Li Jiang , Wei Li Cheng , Fang Yu Chen , Liu Shude , Ma Ming , Xing Zheng
Published: January 2024

Grafting NiFe-LDH nanosheets onto TiO2 nanorod arrays largely improves the photoexcited charge separation and accelerates the surface oxidation reaction, leading to stable & self-enhancing photoelectrochemical cathodic protection performance.
Polydopamine-coated bimetallic ZIF derivatives as a H2O2-free oxidase mimetic for the colorimetric sensing of l-cysteine
Authors: Zhang Ran , Zhang Shaohong , Lu Junhao , Wu Ying , Zhao Jinjin , Wang Zhijuan
Published: January 2024

A facile and efficient colorimetric method for the sensitive detection of l-cysteine without H2O2 using the Co-HPNC@NC nanozyme derived from the MOF precursor (Co–Zn ZIFs@PDA) was successfully developed.
Catalytic activity of cyclobutadiene rhodium complexes in hydrosilylation and other transformations of alkynes
Authors: Petrushina Tatiana N. , Nelyubina Yulia V. , Perekalin Dmitry S. , Shvydkiy Nikita V.
Published: January 2024

We investigated the catalytic activity of cyclobutadiene rhodium complexes in several alkyne transformations and compared it with cyclooctadiene analogs.
One-pot synthesis of carbon dots from neem resin and the selective detection of Fe(ii) ions and photocatalytic degradation of toxic dyes
Authors: Gokul Eswaran S. , Stalin T. , Thiruppathi D. , Madhu Manivannan , Santhoshkumar S. , Warchol Jolanta , Santhana Krishna Kumar A. , Tseng Wei-Lung , Vasimalai N.
Published: January 2024

Neem resin-derived CDs (NR-CDs) exhibited a quantum yield of 21%, allowing them for multiple applications in sensitive detection of Fe2+ ions, and also in the degradation of multiple dyes in the presence of NaBH4.
Tailoring vanadium oxide crystal orientation for high-performance aqueous zinc-ion batteries
Authors: Li Rong , Yuan Yifei , Yang Linyu , Wang Jun , Wang Shuying , Abliz Ablat , Xie Xuefang , Mi Hongyu , Li Haibing
Published: January 2024

Mg0.57V5O12·2.3H2O (MgVO) with different (001)-orientations is prepared. MgVO with higher (001)-orientation exhibits better rate and cyclic performance.
Advances and challenges in the modification of photoelectrode materials for photoelectrocatalytic water splitting
Authors: Yang Longyue , Li Fang , Xiang Quanjun
Published: January 2024

With the increasing consumption of fossil fuels, the development of clean and renewable alternative fuels has become a top priority.
Insights into the supramolecular and molecular electrocatalytic properties of 1,2-bis(diphenylphosphine)ethane appended nickel(ii) 1,2-dithiosquarate for oxygen and hydrogen evolution reactions
Authors: Kushwaha Aparna , Srivastava Devyani , Kociok-Köhn Gabriele , Padwal Yogita , Chauhan Ratna , Gosavi Suresh W. , Muddassir Mohd. , Kumar Abhinav
Published: January 2024

New dppe appended Ni(ii) 3,4-dioxocyclobut-1-ene-1,2-dithiolate was synthesized and used as a molecular electrocatalyst for OER and HER.
Carbones (–C2−–), carbenes (–C:–) and carbodications (–C2+–) on the magnetic criterion
Authors: Kleinpeter Erich , Koch Andreas
Published: January 2024

The spatial magnetic properties (TSNMRSs) unequivocally prove the allene-like π-electron distribution and geometry of dis-dimethylamino-carbo2+ and of the carbo2+ family.
Structural and therapeutic properties of salicylic acid-solubilized Pluronic solutions and hydrogels
Authors: Ganguly R. , Kumar S. , Soumya M. , Khare A. , Bhainsa K. C. , Aswal V. K. , Kohlbrecher J.
Published: January 2024

Salicylic acid (SA) finds extensive applications in the treatment of rheumatic and skin diseases because of its analgesic, anti-inflammatory and exfoliating properties.
Induced-pluripotent stem cells and neuroproteomics as tools for studying neurodegeneration
Authors: Brandão-Teles Caroline , Zuccoli Giuliana S. , de Moraes Vrechi Talita Aparecida , Ramos-da-Silva Lívia , Santos Aline Valéria Sousa , Crunfli Fernanda , Martins-de-Souza Daniel
Published: January 2024

The investigation of neurodegenerative diseases advanced significantly with the advent of cell-reprogramming technology, leading to the creation of new models of human illness. These models, derived from induced pluripotent stem cells (iPSCs), facilitate the study of sporadic as well as hereditary diseases and provide a comprehensive understanding of the molecular mechanisms involved with neurodegeneration. Through proteomics, a quantitative tool capable of identifying thousands of proteins from small sample volumes, researchers have attempted to identify disease mechanisms by detecting differentially expressed proteins and proteoforms in disease models, biofluids, and postmortem brain tissue. The integration of these two technologies allows for the identification of novel pathological targets within the realm of neurodegenerative diseases. Here, we highlight studies from the past 5 years on the contributions of iPSCs within neuroproteomic investigations, which uncover the molecular mechanisms behind these illnesses.
Endoscopic Biofeedback Training for Cough and Swallowing: The What, Why, and How
Authors: Curtis James A.
Published: January 2024

Purpose:

Endoscopic biofeedback training is a type of augmented extrinsic feedback that provides information about physiological processes and bolus flow information through the use of flexible endoscopy. The goal of this tutorial is to describe why and how to incorporate endoscopic biofeedback training into cough and swallowing treatment when working with people with dystussia and dysphagia.

Method:

In this tutorial, we will review the diagnostic advantages and limitations of flexible endoscopic evaluation of swallowing as it relates to biofeedback training. We will then (a) review what is known about endoscopic biofeedback training in the field of speech-language pathology; (b) identify which airway protective behaviors clinicians might be best suited for endoscopic biofeedback training; and (c) provide a guide, including sample scripts and video demonstrations, that clinicians can use to aide in the implementation of endoscopic biofeedback training.

Conclusions:

Endoscopic biofeedback training for cough and swallowing habilitation and rehabilitation may be a useful addition to a speech-language pathologist's therapeutic armamentarium. However, more research is needed to comprehensively characterize the long-term effects on endoscopic biofeedback training on cough and swallowing treatment-related outcomes.

Supplemental Material:

https://doi.org/10.23641/asha.25043579
Ein Mesh-Vernebler für alle? In-vitro-Evaluation der Medikamentenverneblung bei spontan atmenden, nicht invasiv und invasiv beatmeten prähospitalen Notfallpatient*innen
Authors: Otto Matthias , Kropp Yannik , Terboven Tom , Becker Florian , Rehberger Florian , Jäger Evelyn , Neumaier Michael , Thiel Manfred , Tsagogiorgas Charalambos
Published: January 2024

Ziel der In-vitro-Studie war es herauszufinden, welcher für den Rettungsdienst verfügbare Verneblertyp die höchste Medikamentendepositionsrate erreicht und bei welcher Beatmungsform diese zu erwarten ist.

Ein Jet-Vernebler und ein Mesh-Vernebler wurden in einem In-vitro-Modell spontan atmender, nicht invasiv und invasiv beatmeter Notfallpatient*innen verglichen.

Der Mesh-Vernebler erreichte unter Spontanatmung und NIV signifikant höhere Salbutamoldepositionsraten als der Jet-Vernebler. Beide Vernebler zeigten zudem unter NIV signifikant höhere Depositionsraten als unter Spontanatmung.

Die standardmäßige Verwendung von Mesh-Verneblern könnte die Aerosoltherapie von Notfallpatient*innen unter Spontanatmung und NIV verbessern. Eine Verzögerung oder Unterbrechung der NIV-Therapie zugunsten einer Vernebelung unter Spontanatmung scheint im Rettungsdienst nicht indiziert.
Necessity of Tobramycin trough Levels in Once Daily Iv-Treatment in
Patients with Cystic Fibrosis
Authors: Schlegtendal Anne , Rettberg Sophia , Maier Christoph , Brinkmann Folke , Koerner-Rettberg Cordula
Published: January 2024

Background Once daily intravenous (iv) treatment with tobramycin for
Pseudomonas aeruginosa infection in patients with cystic fibrosis (pwCF) is
frequently monitored by measuring tobramycin trough levels (TLs). Although the
necessity of these TLs is recently questioned in pwCF without renal impairment,
no study has evaluated this so far. The aim of this observational study was to
evaluate the frequency of increased tobramycin TLs in pwCF treated with a once
daily tobramycin dosing protocol.

Methods Patient records of all consecutive once daily iv tobramycin
courses in 35 pwCF between 07/2009 and 07/2019 were analyzed for
tobramycin level, renal function, co-medication and comorbidity.

Results Eight elevated TLs (2.9% of 278 courses) were recorded in
four patients, two with normal renal function. One of these resolved without
adjustment of tobramycin dosages suggesting a test timing or laboratory error.
In the other patient the elevated tobramycin level decreased after tobramycin
dosage adjustment. Six of the elevated levels occurred in two patients with
chronic renal failure. In 15 other patients with reduced glomerular filtration
rate (GFR) (36 courses) but normal range creatinine no case of elevated
tobramycin trough levels was detected. Neither cumulative tobramycin dosages nor
concomitant diabetes or nutritional status were risk factors for elevated
TLs.

Conclusion Our data show that elevated tobramycin TLs are rare but cannot
be excluded, so determination of tobramycin TLs is still recommended for
safety.
Memantine versus Ginkgo biloba Extract: A Comparative Study on Cognitive Dysfunction Treatment in a Novel Rat Model
Authors: Allam Essmat A. H. , Assi Abdel-Azim , Badary Dalia M. , Farrag Magda M. Y. , Nicola Mariam A.
Published: January 2024

Extracellular senile plaques and intraneuronal neurofibrillary tangles are two devastating brain proteinopathies that are indicative of Alzheimerʼs disease, the most prevalent type of dementia. Currently, no effective medications are available to stop or reverse Alzheimerʼs disease. Ginkgo biloba extract, commonly referred to as EGb 761, is a natural product made from the leaves of the G. biloba tree. It has long been demonstrated to have therapeutic benefits in Alzheimerʼs disease. The current study assessed the beneficial effects of EGb 761 against Alzheimerʼs disease in comparison with memantine, a standard treatment for Alzheimerʼs disease. The scopolamine-heavy metals mixture rat Alzheimerʼs disease model is a newly created model to study the effects of EGb 761 oral therapy on cognitive performance and other Alzheimerʼs disease-like changes over a 28-day experimental period. This new Alzheimerʼs disease model provides better criteria for Alzheimerʼs
disease hallmarks than the conventional scopolamine model. The EGb 761 reversed memory and learning deficits induced by the scopolamine-heavy metals mixture. These outcomes were linked to a more pronounced inhibitory effect on acetylcholinesterase, caspase-3, hippocampal amyloid-beta protein (Aβ1 – 42), phosphorylated tau protein counts, and proinflammatory cytokines (tumor necrosis factor-α and interleukin-1β) compared to the memantine-treated group. Furthermore, EGb 761 treatment considerably reduced lipid peroxidation (malondialdehyde) and improved reduced glutathione levels compared to memantine. Our results suggest EGb 761′s potential in treating central nervous system disorders. Itʼs a promising candidate for future Alzheimerʼs disease therapeutic exploration. This study also highlights the need for future research to focus on the positive benefits of herbal medicines.
Can Neuromuscular Electrical Stimulation Enhance the Effect of Sprint
Interval Training?
Authors: Takeda Ryosuke , Nojima Hiroya , Nishikawa Taichi , Okudaira Masamichi , Hirono Tetsuya , Watanabe Kohei
Published: January 2024

The aim of this study was to determine the effects of subtetanic neuromuscular
electrical stimulation combined with voluntary exercise between repeated Wingate
tests on sprint exercise performance and blood lactate accumulation during
sprint interval training. Fifteen healthy young males volunteered. After 1-min
baseline, participants underwent the Wingate test twice. They performed a 4-min
intervention between tests: neuromuscular electrical stimulation with
free-weight cycling or voluntary cycling alone [43.6 (8.0) watts], which matched
oxygen consumption with neuromuscular electrical stimulation with free-weight
cycling. The blood lactate concentration was assessed at the end of the
baseline, at 3-min intervention, and on recovery at 1, 3, 5, and 10 min after
the second Wingate test. Peak and mean blood lactate concentration during
recovery were significantly greater with neuromuscular electrical stimulation
with free-weight cycling than voluntary cycling alone (P>0.036 and P=0.011,
respectively). Peak power, mean power, and rate of decline (fatigue index) were
not significantly different between conditions in both Wingate tests
(condition/interaction all P>0.300, partial η2<0.1). Subtetanic
neuromuscular electrical stimulation combined with voluntary exercise indicated
similar exercise performance and fatigue levels during Wingate tests, but
enhanced blood lactate accumulation compared to oxygen consumption-matched
voluntary cycling during sprint interval training.
Photocatalytic Carbamoyl Radical Transfer to Alkenyl Azaarenes
Authors: Li Guang-xun , Ma Long-jun , Yu Zi-xuan , Ma Shi-Wei
Published: January 2024

1-Phenyl-3-azaarenyl-propan-1-amine structural moieties have been widely incorporated in pharmaceuticals and biologically active compounds; however, current synthetic methods to access these compounds need multiple steps and proceed with low efficiency. Herein, we reported an efficient photocatalytic carbamoyl radical transfer approach that allows the preparation of these compounds in high yields (up to 88%). The reaction easily runs on a gram-scale and was applied for the preparation of pheniramine in two steps with 72% total yield.
Synthesis and Antibacterial Studies of Phenethylamine Alkaloid Natural Products Along with Their Analogues: Discolin A, B, E and Bacillimidazole B
Authors: Anindya Roy , Khan Faiz Ahmed , Khatua Rashmi Ranjan , Ahmad Sarwat Asma Ziya , Das Susmita
Published: January 2024

The first total synthesis of phenethylamine alkaloid based natural products discolin A, B, E and bacillimidazole B is reported, which were isolated from marine sea bacteria Tenacibaculum discolor sv11 and marine sponge. Total syntheses of discolin A, B, E and bacillimidazole B are achieved in two linear steps including condensation reaction and N-alkylation reaction with an overall yield of 68%, 35%, 65%, and 32%, respectively. A total of 24 analogues are prepared with moderate to excellent yield. All the natural products and their analogues were screened for antibacterial activity. The most active compound showed an IC50 of 122.1 nM against P. aeruginosa.