bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria
Authors: Bakker Alexander T. , Kotsogianni Ioli , Avalos Mariana , Punt Jeroen M. , Liu Bing , Piermarini Diana , Gagestein Berend , Slingerland Cornelis J. , Zhang Le , Willemse Joost J. , Ghimire Leela B. , van den Berg Richard J. H. B. N. , Janssen Antonius P. A. , Ottenhoff Tom H. M. , van Boeckel Constant A. A. , van Wezel Gilles P. , Ghilarov Dmitry , Martin Nathaniel I. , van der Stelt Mario 
Published: June 2024

AbstractBacteria have evolved resistance to nearly all known antibacterials, emphasizing the need to identify antibiotics that operate via novel mechanisms. Here we report a class of allosteric inhibitors of DNA gyrase with antibacterial activity against fluoroquinolone-resistant clinical isolates of Escherichia coli. Screening of a small-molecule library revealed an initial isoquinoline sulfonamide hit, which was optimized via medicinal chemistry efforts to afford the more potent antibacterial LEI-800. Target identification studies, including whole-genome sequencing of in vitro selected mutants with resistance to isoquinoline sulfonamides, unanimously pointed to the DNA gyrase complex, an essential bacterial topoisomerase and an established antibacterial target. Using single-particle cryogenic electron microscopy, we determined the structure of the gyrase–LEI-800–DNA complex. The compound occupies an allosteric, hydrophobic pocket in the GyrA subunit and has a mode of action that is distinct from the clinically used fluoroquinolones or any other gyrase inhibitor reported to date. LEI-800 provides a chemotype suitable for development to counter the increasingly widespread bacterial resistance to fluoroquinolones.
Direct radical functionalization of native sugars
Authors: Jiang Yi , Wei Yi , Zhou Qian-Yi , Sun Guo-Quan , Fu Xia-Ping , Levin Nikita , Zhang Yijun , Liu Wen-Qiang , Song NingXi , Mohammed Shabaz , Davis Benjamin G. , Koh Ming Joo 
Published: June 2024

AbstractNaturally occurring (native) sugars and carbohydrates contain numerous hydroxyl groups of similar reactivity1,2. Chemists, therefore, rely typically on laborious, multi-step protecting-group strategies3 to convert these renewable feedstocks into reagents (glycosyl donors) to make glycans. The direct transformation of native sugars to complex saccharides remains a notable challenge. Here we describe a photoinduced approach to achieve site- and stereoselective chemical glycosylation from widely available native sugar building blocks, which through homolytic (one-electron) chemistry bypasses unnecessary hydroxyl group masking and manipulation. This process is reminiscent of nature in its regiocontrolled generation of a transient glycosyl donor, followed by radical-based cross-coupling with electrophiles on activation with light. Through selective anomeric functionalization of mono- and oligosaccharides, this protecting-group-free ‘cap and glycosylate’ approach offers straightforward access to a wide array of metabolically robust glycosyl compounds. Owing to its biocompatibility, the method was extended to the direct post-translational glycosylation of proteins.
SDWPF: A Dataset for Spatial Dynamic Wind Power Forecasting over a Large Turbine Array
Authors: Zhou Jingbo , Lu Xinjiang , Xiao Yixiong , Tang Jian , Su Jiantao , Li Yu , Liu Ji , Lyu Junfu , Ma Yanjun , Dou Dejing 
Published: June 2024

AbstractWind power is a clean and renewable energy, yet it poses integration challenges to the grid due to its variable nature. Thus, Wind Power Forecasting (WPF) is crucial for its successful integration. However, existing WPF datasets often cover only a limited number of turbines and lack detailed information. To bridge this gap and advance WPF research, we introduce the Spatial Dynamic Wind Power Forecasting dataset (SDWPF). The SDWPF dataset not only provides information on power generation and wind speed but also details the spatial distribution of the wind turbines and dynamic contextual factors specific to each turbine. These factors include weather information and the internal status of each wind turbine, thereby enriching the dataset and improving its applicability for predictive analysis. Further leveraging the potential of SDWPF, we initiated the ACM KDD Cup 2022, a competition distinguished as the foremost annual event in data mining, renowned for presenting cutting-edge challenges and attracting top talent from academia and industry. Our event successfully draws registrations from over 2400 teams around the globe.
Zigzag boron nitride nanoribbon doped with carbon atom for giant magnetoresistance and rectification behavior based nanodevices
Authors: Wang Rigao , Shuang Feng , Lin Mingsong , Wei Xiangfu , Fang Zheng , She Duan , Cai Wei , Shi Xiaowen , Chen Mingyan 
Published: June 2024

AbstractUsing the principles of density functional theory (DFT) and nonequilibrium Green’s function (NEGF), We thoroughly researched carbon-doped zigzag boron nitride nanoribbons (ZBNNRs) to understand their electronic behavior and transport properties. Intriguingly, we discovered that careful doping can transform carbon-doped ZBNNRs into a spintronic nanodevice with distinct transport features. Our model showed a giant magnetoresistance (GMR) up to a whopping 10$$^5$$

5

under mild bias conditions. Plus, we spotted a spin rectifier having a significant rectification ratio (RR) of 10$$^4$$

4

. Our calculated transmission spectra have nicely explained why there’s a GMR up to 10$$^5$$

5

for spin-up current at biases of $$-1.2$$

-
1.2

V, $$-1.1$$

-
1.1

V, and $$-1.0$$

-
1.0

V, and also accounted for a GMR up to 10$$^3$$

3

–10$$^5$$

5

for spin-down current at biases of 1.0 V, 1.1 V, and 1.2 V. Similarly, the transmission spectra elucidate that at biases of 1.0 V, 1.1 V, and 1.2 V for spin-up, and at biases of 1.1 V and 1.2 V for spin-down in APMO, the RRs reach 10$$^4$$

4

. Our research shines a light on a promising route to push forward the high-performance spintronics technology of ZBNNRs using carbon atom doping. These insights hint that our models could be game-changers in the sphere of nanoscale spintronic devices.
Scenting serenity: influence of essential-oil vaporization on dental anxiety - a cluster-randomized, controlled, single-blinded study (AROMA_dent)
Authors: Czakert Judith , Kandil Farid I. , Boujnah Hiba , Tavakolian Pantea , Blakeslee Sarah B. , Stritter Wiebke , Dommisch Henrik , Seifert Georg 
Published: June 2024

AbstractDental fear and anxiety (DFA) is known as an immense challenge in oral healthcare, which can result in compromised oral health, pain, and uncomfortable treatment. The objective of this study was to analyze the effect of essential-oil vaporization on acute anxiety of patients in dental practices. Four dental practices used five weekly cycles of vaporization with each scent: Orange (Citrus sinensis), Swiss Pine (Pinus cembra), Good Mood (blended essential oils: Citrus sinensis, Citrus aurantifolia, Citrus limon, Osmanthus fragrance (5%)), Forest Walk (blended essential oils: Abies grandis, Pinus cembra, Myrtus communis c. t. 1,8-cineol, Abies alba, Citrus paradisi, Abies sibirica, Pseudotsuga menziesii, Vetiveria zizanoides), and water. Acute anxiety was the primary outcome (state-trait-anxiety inventory (STAI-S)). Secondary outcomes were trait anxiety (STAI-T), dental anxiety (Kleinknecht dental fear survey), and pain perception in treatment (numeric rating scale). Across all patients (n = 486), STAI-S was slightly higher in the control group (40.7 ± 11.6) than in the intervention groups (38.4 ± 10.5). Post-hoc analyses revealed that the effect is only robust for the subgroup of female patients (n = 296, p = 0.044). We also conducted a post-hoc additional analysis on a subpopulation with an increased level of STAI-T ≥ 42 (n = 131 patients). For this group the difference in acute anxiety between the control group (51.1 ± 11.9, n = 30) vs. the intervention groups (46.8 ± 9.6, n = 118) was significant (T = 4.39, p = 0.0379). The results of the study indicate a promising potential of essential-oil vaporization to alleviate dental anxiety, particularly in the subgroups of patients with a high level of trait anxiety, and particularly in female patients. The calming effects of the essential-oil vaporization were also highlighted by the anecdotical statements of the dental-practice staff. The anxiety-reducing role of essential-oil vaporization alone and as one part of combined techniques to counter DFA should be further explored using multi-perspective methodological approaches in research.
Confidence judgments interfere with perceptual decision making
Authors: Double Kit S. , Birney Damian P. 
Published: June 2024

AbstractDetermining one’s confidence in a decision is a vital part of decision-making. Traditionally, psychological experiments have assessed a person’s confidence by eliciting confidence judgments. The notion that such judgments can be elicited without impacting the accuracy of the decision has recently been challenged by several studies which have shown reactivity effects—either an increase or decrease in decision accuracy when confidence judgments are elicited. Evidence for the direction of reactivity effects has, however, been decidedly mixed. Here, we report three studies designed to specifically make reactivity effects more prominent by eliciting confidence judgment contemporaneously with perceptual decisions. We show that confidence judgments elicited contemporaneously produce an impairment in decision accuracy, this suggests that confidence judgments may rely on a partially distinct set of cues/evidence than the primary perceptual decision and, additionally, challenges the continued use of confidence ratings as an unobtrusive measure of metacognition.
Compliance-free, analog RRAM devices based on SnOx
Authors: Garlapati Suresh Kumar , Simanjuntak Firman Mangasa , Stathopoulos Spyros , A Syed Jalaluddeen , Napari Mari , Prodromakis Themis 
Published: June 2024

AbstractBrain-inspired resistive random-access memory (RRAM) technology is anticipated to outperform conventional flash memory technology due to its performance, high aerial density, low power consumption, and cost. For RRAM devices, metal oxides are exceedingly investigated as resistive switching (RS) materials. Among different oxides, tin oxide (SnOx) received minimal attention, although it possesses excellent electronic properties. Herein, we demonstrate compliance-free, analog resistive switching behavior with several stable states in Ti/Pt/SnOx/Pt RRAM devices. The compliance-free nature might be due to the high internal resistance of SnOx films. The resistance of the films was modulated by varying Ar/O2 ratio during the sputtering process. The I–V characteristics revealed a well-expressed high resistance state (HRS) and low resistance states (LRS) with bipolar memristive switching mechanism. By varying the pulse amplitude and width, different resistance states have been achieved, indicating the analog switching characteristics of the device. Furthermore, the devices show excellent retention for eleven states over 1000 s with an endurance of > 100 cycles.
Hemodynamics with mechanical circulatory support devices using a cardiogenic shock model
Authors: Yahagi Kazuyuki , Nishimura Gohki , Kuramoto Kei , Tsuboko Yusuke , Iwasaki Kiyotaka 
Published: June 2024

AbstractMechanical circulatory support (MCS) devices, including veno-arterial extracorporeal membrane oxygenation (VA-ECMO) and Impella, have been widely used for patients with cardiogenic shock (CS). However, hemodynamics with each device and combination therapy is not thoroughly understood. We aimed to elucidate the hemodynamics with MCS using a pulsatile flow model. Hemodynamics with Impella CP, VA-ECMO, and a combination of Impella CP and VA-ECMO were assessed based on the pressure and flow under support with each device and the pressure–volume loop of the ventricle model. The Impella CP device with CS status resulted in an increase in aortic pressure and a decrease in end-diastolic volume and end-diastolic pressure (EDP). VA-ECMO support resulted in increased afterload, leading to a significant increase in aortic pressure with an increase in end-systolic volume and EDP and decreasing venous reservoir pressure. The combination of Impella CP and VA-ECMO led to left ventricular unloading, regardless of increase in afterload. Hemodynamic support with Impella and VA-ECMO should be a promising combination for patients with severe CS.
Rotation with other crops slow down the fungal process in tobacco-growing soil
Authors: Liu Ming , Xue Rujun , Yang Chengwei , Han Ningbo , Hu Yanxia , Gu Kaiyuan , Zhao Jie , Guan Shuyue , Su Jiaen , Jiang Yonglei 
Published: June 2024

AbstractContinuous cultivation of tobacco could cause serious soil health problems, which could cause bacterial soil to change to fungal soil. In order to study the diversity and richness of fungal community in tobacco-growing soil under different crop rotation, three treatments were set up in this study: CK (tobacco continuous cropping); B (barley-tobacco rotation cropping) and R (oilseed rape-tobacco rotation cropping). The results of this study showed that rotation with other crops significantly decreased the soil fungal OTUs, and also decreased the community richness, evenness, diversity and coverage of fungal communities. Among them, B decreased the most. In the analysis of the composition and structure of the fungal community, it was found that the proportion of plant pathogens Nectriaceae decreased from 19.67% in CK to 5.63% in B, which greatly reduced the possibility of soil-borne diseases. In the analysis of the correlation between soil environmental factors and fungal communities, it was found that Filobasidiaceae had a strong correlation with TP and AP, and Erysiphaceae had a strong correlation with TK and AK. NO3−-N and NH4+-N were the two environmental factors with the strongest correlation with fungal communities. The results of this study showed that rotation with other crops slowed down the process of soil fungi in tobacco-growing soil and changed the dominant species of soil fungi community. At the same time, crop rotation changed the diversity and richness of soil fungal community by changing the physical and chemical properties of soil.
First detection and prevalence of Apis mellifera filamentous virus in Apis mellifera and Varroa destructor in the Republic of Korea
Authors: Nguyen Thi-Thu , Yoo Mi-Sun , Lee Hyang-Sim , Truong A-Tai , Youn So-Youn , Lee Se-Ji , Kim Jaemyung , Cho Yun Sang 
Published: June 2024

AbstractApis mellifera filamentous virus (AmFV) is a double-stranded DNA virus that infects Apis mellifera bees. To our knowledge, this is the first comprehensive study aiming to detect and analyse the genetic diversity and prevalence of AmFV in Korean honeybee colonies. Phylogenetic analysis based on baculovirus repeat open reading frame–N gene (Bro–N) sequences revealed that AmFV isolates from the Republic of Korea (ROK) fell into two distinct lineages, with genetic origins in Switzerland and China, with nucleotide similarities of 98.3% and 98.2%, respectively. Our prevalence analysis demonstrated a noteworthy infection rate of AmFV in 545 honeybee colonies, reaching 33.09% in 2022 and increasing to 44.90% by 2023. Intriguingly, we also detected AmFV in Varroa destructor mites, highlighting their potential role as vectors and carriers of AmFV. The presence of AmFV was correlated with an increased infection rate of sacbrood virus, deformed wing virus, Lake Sinai virus 2, black queen cell virus, and Nosema ceranae in honeybee colonies. These findings provide valuable insight into the prevalence and potential transmission mechanisms of AmFV in honeybee colonies in the ROK. The results of this study may be instrumental in the effective management of viral infections in honeybee apiaries.
Cell-SELEX for aptamer discovery and its utilization in constructing electrochemical biosensor for rapid and highly sensitive detection of Legionella pneumophila serogroup 1
Authors: Shaukat Aysha , Chrouda Amani , Sadaf Saima , Alhamlan Fatimah , Eissa Shimaa , Zourob Mohammed 
Published: June 2024

AbstractThis study introduces an innovative electrochemical aptasensor designed for the highly sensitive and rapid detection of Legionella pneumophila serogroup 1 (L. pneumophila SG1), a particularly virulent strain associated with Legionellosis. Employing a rigorous selection process utilizing cell-based systematic evolution of ligands by exponential enrichment (cell-SELEX), we identified new high-affinity aptamers specifically tailored for L. pneumophila SG1. The selection process encompassed ten rounds of cell-SELEX cycles with live L. pneumophila, including multiple counter-selection steps against the closely related Legionella sub-species. The dissociation constant (Kd) of the highest affinity sequence to L. pneumophila SG1 was measured at 14.2 nM, representing a ten-fold increase in affinity in comparison with the previously reported aptamers. For the development of electrochemical aptasensor, a gold electrode was modified with the selected aptamer through the formation of self-assembled monolayers (SAMs). The newly developed aptasensor exhibited exceptional sensitivity, and specificity in detecting and differentiating various Legionella sp., with a detection limit of 5 colony forming units (CFU)/mL and an insignificant/negligible cross-reactivity with closely related sub-species. Furthermore, the aptasensor effectively detected L. pneumophila SG1 in spiked water samples, demonstrating an appreciable recovery percentage. This study shows the potential of our aptamer-based electrochemical biosensor as a promising approach for detecting L. pneumophila SG1 in diverse environments.
Phylogeny, envenomation syndrome, and membrane permeabilising venom produced by Australia’s electric caterpillar Comana monomorpha
Authors: Goudarzi Mohaddeseh H. , Robinson Samuel D. , Cardoso Fernanda C. , Mitchell Michela L. , Cook Lyn G. , King Glenn F. , Walker Andrew A. 
Published: June 2024

AbstractZygaenoidea is a superfamily of lepidopterans containing many venomous species, including the Limacodidae (nettle caterpillars) and Megalopygidae (asp caterpillars). Venom proteomes have been recently documented for several species from each of these families, but further data are required to understand the evolution of venom in Zygaenoidea. In this study, we examined the ‘electric’ caterpillar from North-Eastern Australia, a limacodid caterpillar densely covered in venomous spines. We used DNA barcoding to identify this caterpillar as the larva of the moth Comana monomorpha (Turner, 1904). We report the clinical symptoms of C. monomorpha envenomation, which include acute pain, and erythema and oedema lasting for more than a week. Combining transcriptomics of venom spines with proteomics of venom harvested from the spine tips revealed a venom markedly different in composition from previously examined limacodid venoms that are rich in peptides. In contrast, the venom of C. monomorpha is rich in aerolysin-like proteins similar to those found in venoms of asp caterpillars (Megalopygidae). Consistent with this composition, the venom potently permeabilises sensory neurons and human neuroblastoma cells. This study highlights the diversity of venom composition in Limacodidae.
Ti3C2Tx MXene reinforcement: a nickel–vanadium selenide/MXene based multi-component composite as a battery-type electrode for supercapacitor applications
Authors: Chaudhary Khadija , Zulfiqar Sonia , Abualnaja Khamael M. , Shahid Muhammad , Abo-Dief Hala M. , Farooq Warsi Muhammad , Cochran Eric W. 
Published: June 2024

Three-dimensional graphene oxide assisted Ti3C2Tx MXene aerogel foam impregnated with battery-type bimetallic nickel vanadium selenide for supercapacitor application.
Evaluation of a New Adolescent Social Communication Assessment: The Transition Pragmatics Interview
Authors: Poll Gerard H. , Boone William J. , Petru Janis 
Published: June 2024

Purpose:
This study evaluated the psychometric functioning of a new criterion-referenced assessment of adolescent social communication, the Transition Pragmatics Interview (TPI), based on the synthesis model of pragmatics. Two ways of interpreting item difficulty were explored: (a) as a function of the synthesis model elements of social communication ability that items were designed to assess, and (b) as a function of the developmental level required for a successful response based on an adapted situational-discourse-semantics (SDS) model (Norris & Hoffman, 1993).

Method:
Thirty-seven participants aged 14–22 years completed the TPI. Responses were analyzed using Rasch analysis to evaluate the functioning of the scale and to determine item difficulty. Items were coded for the SDS developmental level required for an adequate response. The mean Rasch item difficulty for items at each SDS developmental level was analyzed for the five adapted SDS domains.

Results:

Consistent with the first approach for interpreting item difficulty, TPI items varied in difficulty as a function of the element of social communication they were designed to assess (
p
< .001). Interpreting item difficulty based on the adapted SDS model was not supported: Items requiring higher SDS developmental levels were not more difficult than those requiring less (
p
= .55).

Conclusions:
The TPI responses fit the Rasch model, supporting the TPI as a unidimensional measure and supporting the use of all items together to compute a single number that summarizes the level of social communication for each examinee. The item ordering from least to most difficult was consistent with prior findings on adolescent social communication development.

Supplemental Material:

https://doi.org/10.23641/asha.26018545
Introduction des systèmes dynamiques dans l’ingénierie
Authors: Delaleau Emmanuel , Le Magueresse Thierry , Pelt Laurent 
Published: June 2024

Cet article présente une nouvelle expérience pédagogique permettant d’enseigner les équations différentielles en liaison directe avec des matières de l’ingénierie où elles interviennent. Cette expérience a été baptisée « Zone généraliste ». Les équations différentielles permettent de modéliser des phénomène dynamiques, qui présentent une évolution dans le temps.
Cette expérience pédagogique se déroule sur trois semaines, dégagées des enseignements habituels à l’emploi du temps. La première semaine se déroule à mi parcours du Semestre 2 et les deux autres concluent le semestre.
Kieferorthopädische Behandlung einer CMD-Patientin: Digitale
Präzision in Diagnostik, Planung und Umsetzung
Authors: Jilek Theresa , Welker Yana 
Published: June 2024

ZusammenfassungDie 38-jährige Patientin stellte sich zur kieferorthopädischen Beratung aufgrund
schief stehender Ober- und Unterkieferfrontzähne vor mit dem Wunsch der
Zahnbegradigung. In der Anamnese gab die Patientin einen seit 15 Jahren
bestehenden Tinnitus des rechten Ohres an und häufige, mindestens 1x
wöchentliche Kopfschmerzen und häufige Nacken- und Schulterverspannungen. Durch
die umfassende Anfangsdiagnostik konnte die CMD erkannt und behandelt werden mit
einer fast vollständigen Regredienz des Tinnitus und der Hals-Kopf- und
Nackenschmerzen- und verspannungen.