bluuebunny/crossref_metadata_2025 huggingface dataset:
Sustainable cultivation of the white truffle (Tuber magnatum) requires ecological understanding
Authors: Čejka Tomáš , Trnka Miroslav , Büntgen Ulf
Published: July 2023

The white truffle (Tuber magnatumPicco.; WT) is the most expensive and arguably also the most delicious species within the genusTuber. Due to its hidden belowground life cycle, complex host symbiosis, and yet unknown distribution, cultivation of the enigmatic species has only recently been achieved at some plantations in France. A sustainable production of WTs under future climate change, however, requires a better ecological understanding of the species’ natural occurrence. Here, we combine information from truffle hunters with a literature review to assess the climatic, edaphic, geographic, and symbiotic characteristics of 231 reported WT sites in southeast Europe. Our meta-study shows that 75% of the WT sites are located outside the species’ most famous harvest region, the Piedmont in northern Italy. Spanning a wide geographic range from ~ 37° N in Sicily to ~ 47° N in Hungary, and elevations between sea level in the north and 1000 m asl in the south, all WT sites are characterised by mean winter temperatures > 0.4 °C and summer precipitation totals of ~ 50 mm. Often formed during past flood or landslide events, current soil conditions of the WT sites exhibit pH levels between 6.4 and 8.7, high macroporosity, and a cation exchange capacity of ~ 17 meq/100 g. At least 26 potential host species from 12 genera were reported at the WT sites, withPopulus albaandQuercus cerrisaccounting for 23.5% of all plant species. We expect our findings to contribute to a sustainable WT industry under changing environmental and economic conditions.
Oestrogen receptor low positive breast cancer: associations with prognosis
Authors: Skjervold Anette H. , Valla Marit , Bofin Anna M.
Published: July 2023

Purpose

In this study of oestrogen receptor (ER) Low Positive breast cancers (BC) in three large cohorts of BC patients, we assess associations between levels of ER expression and tumour characteristics and prognosis.

Methods

Cases were stratified into patients unlikely to have received adjuvant therapy according to treatment guidelines at time of diagnosis (before 1995), and those who could have received adjuvant therapy (diagnosed in 1995 or later). ER status was divided into < 1%; ≥ 1 < 10%; ≥ 10%. Results were correlated with time of diagnosis, histopathological grade, proliferation status, and molecular subtypes, using Pearson’s Chi-square test. For prognosis, hazard ratios and cumulative incidence of death from BC were used.

Results

Of the 1955 tumours, 65 (3.3%) were ER Low Positive (ER ≥ 1 < 10%). Overall, the highest proportion of ER Low Positive tumours was observed among Luminal B (HER2 +) subtype (9.4%) and grade 3 tumours (4.3%). The risk of death from BC was lower in ER Low Positive and ER ≥ 10% compared to ER-negative cases. Compared to patients diagnosed before 1995, women diagnosed in 1995 or later showed a higher proportion of ER Low Positive BCs, and their tumours were of smaller size, lower grade, and lower proliferative status. There was no significant difference in prognosis compared to those with ER ≥ 10% tumours.

Conclusion

Women with ER Low Positive tumours diagnosed in a time period when adjuvant therapy was available had tumours of smaller size, lower grade, and lower proliferative status, and similar prognosis to those with ER ≥ 10% compared to women diagnosed earlier.
Trauma Experience Among Women Who Have Substance Use Disorders and are Homeless or Near Homeless
Authors: Greene Alison , Korchmaros Josephine D. , Frank Franziska
Published: July 2023

Women with substance use disorders (SUDs) who are homeless or near homeless have high rates of mental health, behavioral health, and SUD treatment needs. To effectively respond to these needs, it is critical to understand the population-specific trauma experiences of these women. This descriptive study examined the extent and nature of trauma experience among women who have an SUD and are homeless or near homeless. Results (n = 851 women) indicated high rates of trauma experience. All participants (100%) reported at least one type of trauma experience in their lifetime, with the majority (75.3%) having experienced five to seven of the seven types of trauma experiences assessed. Participants reported high levels of emotional severity related to the majority of traumatic events experienced. The pervasiveness of the trauma experiences and the related emotional impact among women with SUDs who are homeless or near homeless reinforce the necessity for trauma-informed care in treatment settings.
Entrepreneurship as a transition to the circular economy
Authors: Fernandes Cristina I. , Veiga Pedro Mota , Ramadani Veland
Published: July 2023

Given the challenges facing businesses and society in mitigating climate change, creating and supporting sustainable entrepreneurship is critical. However, the influence of National Systems of Entrepreneurship (NSEs) on the circular economy has not yet been studied. Our research studies the impact of NSEs on countries' circular economies while assessing the impact of the digital transition on this relationship. Using dynamic panel econometric techniques and by using various international databases, it was possible to assess the effect of NSEs on the circular economy.
Furthermore, our analysis also allowed us to research how the impact of the digital transition may influence the relationship between NSEs and the circular economy. We achieve that countries with advanced NSEs achieve superior grades in their circular economy. We intend to add to the theoretical field by extending the knowledge of the relationship between NSEs and the circular economy. We also intend that the various actors in the surrounding environment who enhance entrepreneurial activities, realize that entrepreneurship is a fundamental component, within the system to which it belongs, for achieving the circular economy.
Randomised placebo-controlled clinical trial evaluating the impact of a new visual rehabilitation program on neuroadaptation in patients implanted with trifocal intraocular lenses
Authors: Piñero David P. , Maldonado-López Miguel J. , Molina-Martin Ainhoa , García-Sánchez Noelia , Ramón María L. , Rincón José L. , Holgueras Alfredo , Arenillas Juan F. , Planchuelo-Gómez Álvaro , Leal-Vega Luis , Coco-Martín María Begoña
Published: July 2023

Purpose

To evaluate the efficacy of a new visual training program for improving the visual function in patients implanted with trifocal intraocular lenses (IOLs).

Methods

Randomised placebo-controlled clinical trial enrolling 60 subjects (age, 47–75 years) undergoing cataract surgery with implantation of trifocal diffractive IOL. Home-based active visual training was prescribed immediately after surgery to all of them (20 sessions, 30 min): 31 subjects using a serious game based on Gabor patches (study group) and 29 using a placebo software (placebo group). Visual acuity, contrast sensitivity (CS), and perception of visual disturbances (QoV questionnaire) were evaluated before and after training. Likewise, in a small subgroup, resting-state functional magnetic resonance imaging (rs-fMRI) analysis was performed.

Results

No significant differences were found between groups in compliance time (p = 0.70). After training, only significant improvements in monocular uncorrected intermediate visual acuity were found in the study group (p ≤ 0.01), although differences between groups did not reach statistical significance (p ≥ 0.11). Likewise, significantly better binocular far CS values were found in the study group for the spatial frequencies of 6 (p = 0.01) and 12 cpd (p = 0.03). More visual symptoms of the QoV questionnaire experienced a significant change in the level of bothersomeness in the study group. Rs-fMRI revealed the presence significant changes reflecting higher functional connectivity after the training with the serious game.

Conclusions

A 3-week visual training program based on the use of Gabor patches after bilateral implantation of trifocal diffractive IOLs may be beneficial for optimising the visual function, with neural changes associated suggesting an acceleration of neuroadaptation.

Trial registration ClinicalTrials.gov, NCT04985097. Registered 02 August 2021, https://clinicaltrials.gov/(NCT04985097).
Binary Codes that do not Preserve Primitivity
Authors: Holub Štěpán , Raška Martin , Starosta Štěpán
Published: July 2023

A set of words X is not primitivity-preserving if there is a primitive list of length at least two of elements from X whose concatenation is imprimitive. Here, a word or list is primitive if it is not equal to a concatenation of several copies of a shorter word or list, and imprimitive otherwise. We formalize a full characterization of such two-element sets $$\{x,y\}$$

{
x
,
y
}

in the proof assistant Isabelle/HOL. The formalization is based on an existing proof which we analyze and simplify using some innovative ideas. Part of the formalization, interesting on its own, is a description of the ways in which the square xx can appear inside a concatenation of words x and y if $$\left| y \right| \le \left| x \right| $$

y

≤

x

. We also provide a formalized parametric solution of the related equation $$x^jy^k = z^\ell $$

x
j

y
k

=

z
ℓ

.
Genetic Diversity of Cowpea Parental Lines Assembled for Breeding in Uganda
Authors: Edema Richard , Adjei Emmanuel Amponsah , Ozimati Alfred Adebo , Tusiime Sharon Mbabazi , Badji Arfang , Ibanda Angele , Dramadri Isaac Onziga
Published: July 2023

Cowpea is a grain legume that is commonly grown in Sub-Saharan Africa (SSA) for a variety of uses including food, feed, and soil fertility enhancement through nitrogen fixation. Genetic improvement in cowpea can be accomplished by creating breeding populations from high-performing but genetically diverse parental lines. The goal of this study was to use single nucleotide polymorphic markers (SNPs) to estimate genetic diversity and population stratification among cowpea parental genotypes from five countries. A total of 2,746 SNP markers were used to analyze 62 cowpea genotypes that differed in key characteristics. Only 55% of the SNP markers were polymorphic across the 62 genotypes and met the selection requirement. The gene diversity varied from 0.52 to 0.57 with an average of 0.55, while the polymorphic information content ranged from 0.46 to 0.51 with an average of 0.49, showing that the cowpea parental lines are genetically diverse. The analysis of molecular variance (AMOVA) found high significant (p < 0.001) variation among genotypes and non-significant variation across genotypes depending on country of origin. The cluster analysis for the 62 genotypes using the unweighted pair group procedure with arithmetic mean approach divided the genotypes into two distinct groups. Genotypes from the same geographical regions tended to cluster together and there was a significant level of genetic variation among genotypes from Uganda and Nigeria. The SNP markers utilized in this study were effective at distinguishing genotypes and may be used to estimate the diversity in the cowpea core collection. The genetic diversity in this collection is important for future development of improved varieties of cowpea in Uganda.
The Hypoglycemic and Hypolipidemic Effects of Polyphenol-Rich Strawberry Juice on Diabetic Rats
Authors: Gazwi Hanaa S.S. , Hassan Mohamed SH. , Ismail Hamadi A. , El-Naem Gamal F. Abd , Tony Sallam K.
Published: July 2023

Obesity and diabetes are some of the most important modern health problems requiring simple preventative or palliative measures using dietary means. This study investigated the impact of strawberry juice on diabetic rats. Diabetes was induced in rats using a single intraperitoneal injection of 50 mg/kg streptozotocin (STZ). Fifty male rats were divided into five groups: normal control (NC), strawberry juice only (S), diabetic control (DC), and two diabetic groups treated with strawberry juice (DC + S) or metformin (DC + met). Rats were administered a single dose of both strawberry juice and oral metformin, and biochemical and histological analyses were conducted. The experiment was conducted in compliance with the Ethics Committee’s regulations for the care and utilization of animals, microorganisms, and living cell cultures in education and scientific research at the Faculty of Agriculture, Minia University (MU/FA/006/12/22). Treatment of diabetic rats with strawberry juice led to a significant decrease in blood glucose. Insulin levels were also significantly increased, while lipid profiles were lowered in the diabetic rats treated with strawberry juice. Carbohydrate metabolism enzymes and antioxidant enzyme activities in the treated rats were restored to normal levels, and the levels of lipid peroxidation and proinflammatory cytokines were notably reduced. The microstructure of pancreatic and liver cells in diabetic rats was also improved with strawberry juice treatment. In addition, HPLC analysis revealed that strawberry juice was rich in flavonoids and phenolic compounds and exhibited potent antioxidant activity. These findings suggest that strawberry juice has considerable hypoglycemic and hypolipidemic effects on rats with diabetes which may be used in human after further investigations.
Paradoxes and Paradigms: elements and compounds: similar names, very different energetics
Authors: Ponikvar‑Svet Maja , Edwards Kathleen Frances , Liebman Joel Fredric
Published: July 2023

In this paper we continue to review the phonetic similarity of trivial names of chemical substances and the names of the elements in the periodic table. Thermochemical properties are explicitly considered. We review elements from francium (Fr) to oganesson (Og), Z = 87 to 118.
Spent coffee grounds as feedstock for the production of biosurfactants and the improved recovery of melanoidins
Authors: Moya-Ramírez Ignacio , Pegalajar-Robles María Encarnación , Debiasi Alberton Michele , Rufián-Henares José A. , Fernández-Arteaga Alejandro , Garcia-Roman Miguel , Altmajer-Vaz Deisi
Published: July 2023

Spent coffee grounds (SCG) are wastes generated in high amounts worldwide. Their composition makes them a promising feedstock for biotechnological processes. Here we show that the production of the biosurfactant surfactin by submerged culture of a Bacillus subtilis strain growing on SCG is possible, reaching concentrations up to 8.8 mg/L when using SCG at 8.3 g/L in the medium. In addition, we report a synergy between the production of surfactin and the recovery of melanoidins, an added-value compound already present in SCG. More specifically, the concentration of melanoidins in the culture medium increased between 2.1 and 2.5 times thanks to the presence of the B. subtilis in the culture. Furthermore, we have observed a strong interaction between surfactin and melanoidin aggregates through dynamic light scattering measurements, and that both of them can be co-purified with an acid precipitation. We have also characterized the interfacial and antioxidant properties of the cell-free supernatant and surfactin extract, as well as the distribution of the congeners of the biosurfactant. Altogether, this work describes a promising approach to obtain biosurfactants and antioxidant molecules in a single operation, which can be used to design several new formulations of interest for bioremediation, amendment of soils, food and cosmetics.
Changes in glacier albedo and the driving factors in the Western Nyainqentanglha Mountains from 2001 to 2020
Authors: Ren Shaoting , Jia Li , Menenti Massimo , Zhang Jing
Published: July 2023

Glacier surface albedo dominates glacier energy balance, thus strongly affecting the glacier mass balance. Glaciers in the Western Nyainqentanglha Mountains (WNM) experienced large mass losses in the past two decades, but long-term changes of glacier albedo and its drivers are less understood. In this study, we retrieved glacier albedo with MODIS reflectance data to characterize the spatiotemporal variability of albedo from 2001 to 2020. Air temperature, rainfall, snowfall and deposition of light-absorbing impurities (LAIs) were evaluated as potential drivers of the observed variability in glacier albedo. The results showed that: (1) the glacier albedo experienced large inter-annual fluctuations, with the mean albedo being 0.552 ± 0.002 and a clear decreasing trend of 0.0443 ± 2 × 10−4 dec−1 in the WNM. The fastest decline was observed in autumn and in the vicinity of the equilibrium line altitude, indicating an extended melt season and an expansion of the ablation region to higher elevation; (2) local meteorology and LAIs deposition are the main drivers of glacier albedo change, but their effects on seasonal albedos are different due to different glacier processes. Both air temperature and the balance between liquid and solid precipitation affect summer and autumn albedos due to glacier ablation. Air temperature is the main driver of spring and winter albedos due to sublimation and metamorphism of snow, while snowfall carried by westerlies has limited influence on these two seasonal albedos due to less snowfall. LAIs mainly affect spring albedo due to high concentration coupled with the southerly wind in spring. These findings highlight the significance of changes in glacier albedo and the key role of local meteorology and LAIs deposition in determining such changes, which play an important role in glaciological and cryosphere processes.
Chinese monks, dragons, and reincarnation: the hand of Juan Cobo in the cultural translation of Mingxin baojian 明心寶鑑 (Precious Mirror for Enlightening the Mind), circa 1590
Authors: Zhang Rachel Junlei , Gil-Osle Juan Pablo
Published: July 2023

This article examines the relationship between the manuscript translation of Mingxin baojian 明心寶鑑 (Precious Mirror for Enlightening the Mind) (circa 1590) by Juan Cobo (circa 1546–1592) and the Fujian book market in China. It explores the cultural implications of Cobo's translation by focusing on the commentary he provided in the marginalia of the manuscript. By investigating Cobo's translation and marginalia notes on three Chinese concepts—Chinese monks, dragons, and reincarnation—this article highlights the complex cultural issues present when the early Spanish missionaries in the Philippines negotiated with Chinese culture in their writings and publications.
Statistical Evidence for Off‐Equatorial Minimum‐B‐Pocket as a Source Region of Electron Cyclotron Harmonic Waves in the Dayside Outer Magnetosphere
Authors: Yu Jiang , Wang Jing , Chen Zuzheng , Ren Aojun , Liu Xiaoman , Liu Nigang , He Zhaoguo , Li Kun , Li Liuyuan , Cui Jun , Cao Jinbin
Published: July 2023

The off‐equatorial minimum‐B‐pocket (OEMBP) at high latitudes in the dayside outer magnetosphere is expected as another source region of the electrostatic electron cyclotron harmonic (ECH) waves, in addition to the magnetic equator. However, its crucial role in the excitation of the dayside ECH waves has never been directly investigated due to its spatiotemporal‐varying and difficulty to be located. Based on the observations from Magnetospheric Multiscale satellites, we statistically analyze the properties of dayside ECH waves by organizing them according to the latitude distance from the OEMBP located by the spatiotemporal‐varying geomagnetic field model. Such mapping confirms larger occurrence rates and electric field amplitudes of dayside ECH waves in the vicinity of the OEMBP, which gradually fall down nearby with the latitude distance increasing. Our results provide statistical evidence for the OEMBP as another source region of ECH waves besides the magnetic equator.
Learning from algorithm-generated pseudo-annotations for detecting ants in videos
Authors: Zhang Yizhe , Imirzian Natalie , Kurze Christoph , Zheng Hao , Hughes David P. , Chen Danny Z.
Published: July 2023

Deep learning (DL) based detection models are powerful tools for large-scale analysis of dynamic biological behaviors in video data. Supervised training of a DL detection model often requires a large amount of manually-labeled training data which are time-consuming and labor-intensive to acquire. In this paper, we propose LFAGPA (Learn From Algorithm-Generated Pseudo-Annotations) that utilizes (noisy) annotations which are automatically generated by algorithms to train DL models for ant detection in videos. Our method consists of two main steps: (1) generate foreground objects using a (set of) state-of-the-art foreground extraction algorithm(s); (2) treat the results from step (1) as pseudo-annotations and use them to train deep neural networks for ant detection. We tackle several challenges on how to make use of automatically generated noisy annotations, how to learn from multiple annotation resources, and how to combine algorithm-generated annotations with human-labeled annotations (when available) for this learning framework. In experiments, we evaluate our method using 82 videos (totally 20,348 image frames) captured under natural conditions in a tropical rain-forest for dynamic ant behavior study. Without any manual annotation cost but only algorithm-generated annotations, our method can achieve a decent detection performance (77% in$$F_1$$F1score). Moreover, when using only 10% manual annotations, our method can train a DL model to perform as well as using the full human annotations (81% in$$F_1$$F1score).
KA-Search, a method for rapid and exhaustive sequence identity search of known antibodies
Authors: Olsen Tobias H. , Abanades Brennan , Moal Iain H. , Deane Charlotte M.
Published: July 2023

Antibodies with similar amino acid sequences, especially across their complementarity-determining regions, often share properties. Finding that an antibody of interest has a similar sequence to naturally expressed antibodies in healthy or diseased repertoires is a powerful approach for the prediction of antibody properties, such as immunogenicity or antigen specificity. However, as the number of available antibody sequences is now in the billions and continuing to grow, repertoire mining for similar sequences has become increasingly computationally expensive. Existing approaches are limited by either being low-throughput, non-exhaustive, not antibody specific, or only searching against entire chain sequences. Therefore, there is a need for a specialized tool, optimized for a rapid and exhaustive search of any antibody region against all known antibodies, to better utilize the full breadth of available repertoire sequences. We introduce Known Antibody Search (KA-Search), a tool that allows for the rapid search of billions of antibody variable domains by amino acid sequence identity across either the variable domain, the complementarity-determining regions, or a user defined antibody region. We show KA-Search in operation on the $$\sim $$
∼
2.4 billion antibody sequences available in the OAS database. KA-Search can be used to find the most similar sequences from OAS within 30 minutes and a representative subset of 10 million sequences in less than 9 seconds. We give examples of how KA-Search can be used to obtain new insights about an antibody of interest. KA-Search is freely available at https://github.com/oxpig/kasearch.
Adjuvant physiochemistry and advanced nanotechnology for vaccine development
Authors: Ren Hongze , Jia Wencong , Xie Yujie , Yu Meihua , Chen Yu
Published: July 2023

This review provides an introduction of basic principles of adjuvanted human vaccines in clinics and summarizes emerging nanotechnology adjuvants in vaccine development against cancer and infectious diseases.
Au-catalyzed stereodivergent synthesis of 2,5-disubstituted pyrrolidines: total synthesis of (+)-monomorine I and (+)-indolizidine 195B
Authors: Nakagawa Hayato , Fuwa Haruhiko
Published: July 2023

A stereodivergent synthesis of 2,5-disubstituted pyrrolidines from readily available amino alkynes was made possible under Au catalysis.
Anodic instability of carbon in non-alkaline Zn–air batteries
Authors: Kapaev Roman R. , Noked Malachi
Published: July 2023

Carbon corrosion is observed during the oxygen evolution reaction in non-alkaline Zn–air batteries.
Carbon fibre surface modification facilitated by silver-catalysed radical decarboxylation
Authors: Hayne David J. , Dharmasiri Bhagya , Stojcevski Filip , Eyckens Daniel J. , Hooper Joel F. , Henderson Luke C.
Published: July 2023

A silver catalysed radical decarboxylation process was used to graft a copolymer (4 : 1; methylacrylate/acrylic acid) onto short carbon fibres.
A smart and visible way to switch the aromaticity of silicon(iv) phthalocyanines
Authors: Ke Mei-Rong , Chen Zixuan , Shi Jie , Wei Ying , Liu Hao , Huang Shuping , Li Xingshu , Zheng Bi-Yuan , Huang Jian-Dong
Published: July 2023

A reversible allochroism phenomenon of silicon(iv) phthalocyanines induced by alkalis and acids was reported, which was due to the switching of the 18-π electron aromatic skeleton of phthalocyanine.
Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity
Authors: Saied Rajaa , Alves Paula C. , Rijo Patrícia , André Vânia , Alves Luis G.
Published: July 2023

Novel multicomponent crystal forms were obtained from reactions of trans-disubstituted cyclam derivatives with flufenamic and salicylic acids.
Fermi-level shift, electron separation, and plasmon resonance change in Ag nanoparticle-decorated TiO2 under UV light illumination
Authors: Zhao Wenhao , Wen Liping , Parkin Ivan P. , Zhao Xiujian , Liu Baoshun
Published: July 2023

A method was developed to use in situ photoconductance to determine the Fermi-level and electron distribution in Ag/TiO2, and the photoinduced plasmon shift was studied by the in situ photoinduced absorption and XPS.
Intramolecular hole-transfer in protonated anthracene
Authors: Laws Benjamin A. , Krechkivska Olha , Nauta Klaas , Kable Scott H. , Schmidt Timothy W.
Published: July 2023

Triple-resonance dissociation spectra of protonated and deuteronated anthracene reveal signatures of an intramolecular charge-transfer event that occurs on the excited state surface.
Exploring cation distribution in ion-exchanged Al,Ga-containing metal–organic frameworks using 17O NMR spectroscopy
Authors: Davis Zachary H. , Morris Russell E. , Ashbrook Sharon E.
Published: July 2023

17O isotopic enrichment at different synthetic points provides insight into the cation distribution in mixed-metal (Al,Ga)-MIL-53 using NMR spectroscopy.
Personal Factors and the Overall Variability of Stuttering
Authors: Hendrick Raylynn , Irani Farzan , Schwarz Amy Louise , Azios Michael
Published: July 2023

Purpose:

The initial diagnosis of stuttering is based on stuttering-like disfluencies. This approach fails to capture the variability in overt stuttering behaviors of persons who stutter across speaking tasks and over time. This preliminary study explored the relationships between day-to-day variability of stuttering and several commonly used self-report and behavioral outcomes used to diagnose and monitor stuttering in clinical and research settings.

Method:

Five adults who stutter participated in this study. All participants completed a demographic questionnaire; the Overall Assessment of the Experience of Stuttering, State, and Trait Anxiety Inventory; and the Brief Version of Unhelpful Thoughts and Beliefs About Stuttering (UTBAS), followed by six (i.e., twice weekly) online sessions where conversation and reading samples were video-recorded to determine stuttering frequency and severity. Participants also rated their stuttering severity, variability, stress, anxiety, and sleep on a 7-point Likert scale for each session.

Results:

No self-report measures correlated with stuttering frequency or severity measures determined at each twice-weekly online session. Positive correlations were observed between self-rated stuttering severity and stress, anxiety, and normal disfluencies. Stuttering variability across tasks and sessions was positively correlated with the one-time Overall Assessment of the Speaker's Experience of Stuttering (OASES) and UTBAS-6 scores.

Conclusions:

Stuttering frequency was found to vary to different degrees for individual participants, and preliminary data suggest that scores on standardized assessments such as the OASES and UTBAS-6 are predictive of stuttering variability. Objective data on stuttering frequency may not capture the entire experience of stuttering.
Ni-Catalyzed Reductive Coupling of Alkyl Carbonochloridates and Aryl Iodides
Authors: Yao Ken , Chen Yunrong , Liu Chonghuo
Published: July 2023

A Ni-catalyzed reductive coupling of alkyl carbonochloridates and aryl iodides for the synthesis of aromatic esters has been developed. The present method is a new type of reductive coupling for building Csp2–CO bonds, and it avoids using toxic carbon monoxide gas. It tolerates various aryl iodides, and a coordinating group in alkyl carbonochloridates is key to improving the yield of the reaction.
Boronic Acids and Beyond: ROS-Responsive Prodrugs as Tools for a Safer and More Effective Cancer Chemotherapy
Authors: Gois Pedro M. P. , António João P. M. , Monteiro Sofia A. G.
Published: July 2023

Despite significant scientific advances and the wide variety of available treatments, cancer remains a major cause of death worldwide. Chemotherapy, which is frequently one of the first-line treatments, frequently suffers from low selectivity to cancer cells, leading to the appearance of important side effects. Thus, it becomes imperative to develop a new generation of targeted alternatives that spare the healthy tissues by delivering the cytotoxic payloads safely and selectively to cancer cells. In this respect, prodrugs that are activated by tumor-specific stimuli have attracted significant attention. Despite being a hallmark of cancer and present in high concentrations in cancer cells, reactive oxygen species (ROS) have been rather underexplored as a stimulus for the preparation of targeted prodrugs, particularly when compared with an acidic pH or glutathione. Despite their lower expression, ROS have recently been gaining substantial consideration, with various ROS-responsive prodrugs already reported with meaningful performances both in vitro and in vivo. This review aims to provide critical insights into this strategy by discussing the various available functional groups (with an important focus on boronic acids and their esters), their mechanisms of action, examples of their applications, advantages, limitations, and future challenges.

1 Introduction

2 Boronic Acids and Boronate Esters

2.1 Histone Deacetylase Inhibitors

2.2 DNA Alkylating Agents

2.3 Selective Estrogen Receptor Modulators and Selective Estrogen Receptor Degraders

2.4 ROS Inducers

2.5 Prodrugs Based on Other Types of Anticancer Drugs

3 Other ROS-Responsive Moieties

3.1 Thiazolidinones

3.2 1,3-Oxathiolanes

3.3 Selenium Ethers

3.4 Sulfur-Containing ROS-Responsive Moieties

4 Summary and Future Perspectives
Synthesis of Superarmed Thioglycosides via the Ring Opening of 1,2-Orthoesters
Authors: Zhu Xiangming , Beato Zoe
Published: July 2023

Since the advent of the armed–disarmed strategy, thioglycosides have become essential tools in one-pot oligosaccharide synthesis. The continuum of glycosyl donor reactivity has since been expanded to include so-called ‘superarmed’ thioglycoside donors whose reactivity relies on more than just the inductive effects of protecting groups. Here we report a new method for the synthesis of superarmed thioglycosides via the ring opening of 1,2-orthoesters. This method ensures the necessary 1,2-trans stereochemistry, and importantly, makes use of trimethylsilyl thioethers as sulfur nucleophiles to avoid the use of unpleasant free thiols. Ten examples of ethyl and phenyl thioglycosides of mono- and disaccharides were synthesised from their orthoesters using tris(pentafluorophenyl)borane (BCF) as the Lewis acid promoter and were obtained in good yield and purity.
Acceptor activation of Mg-doped GaN—Effects of N2/O2 vs N2 as ambient gas during annealing
Authors: Kumar Ashutosh , Berg Martin , Wang Qin , Uzuhashi Jun , Ohkubo Tadakatsu , Salter Michael , Ramvall Peter
Published: July 2023

Here, we investigate the effects of O2:N2 (1:1) as ambient gas as compared with pure N2 during activation annealing of Mg as p-type doping in GaN layers grown by MOCVD. The purpose is to understand the impact of O2 on the resulting free hole concentration and hole mobility using SIMS, XRD, STEM, AFM, and Hall effect measurements. Even though the presence of O2 in the ambient gas during annealing is very effective in reducing the H level of the Mg-doped GaN layers, the maximum achievable hole concentration and mobility is still higher with pure N2. The differences are explained by an in-diffusion of O to the GaN layer acting as n-dopant and, thus, giving rise to a compensation effect. The Mg–H complexes at substitutional (MgGa), i.e., the electrically active acceptor sites that provide free holes, are preferentially activated by annealing with N2 only as ambient gas, while annealing with O2:N2 (1:1) also dissociates electrically inactive Mg–H complexes resulting in much less residual H. At the lower growth pressure of 150 mbar compared to higher growth pressure of 300 mbar, an increasing carbon incorporation leads to a compensation effect drastically reducing the free hole concentration while the mobility is unaffected.
Advancing Raman spectroscopy of erythrocytes with 3D-printed acoustofluidic devices
Authors: Rocha Ueslen , Silva Giclênio C. , Sales Marcos V. S. , D'Amato Flávio O. S. , Leite Ana C. R. , Silva Glauber T.
Published: July 2023

Acoustofluidics is a technique that utilizes the forces produced by ultrasonic waves and fluid flows to manipulate cells or nano-/microparticles within microfluidic systems. In this study, we demonstrate the feasibility of performing the Raman analysis of living human erythrocytes (Erys) within a 3D-printed acoustofluidic device designed as a half-wavelength multilayer resonator. Experiments show that a stable and orderly Ery aggregate can be formed in the pressure nodal plane at the resonator's mid-height. This has a significant potential for improving the applicability of Raman spectroscopy in single Ery analysis, as evidenced by the acquisition of the spectrum of healthy and pre-heated Erys without substrate interference. Moreover, principal component analysis applied on the obtained spectra confirms the correct Ery group identification. Our study demonstrates that 3D-printed acoustofluidic devices can improve the accuracy and sensitivity of Raman spectroscopy in blood investigations, with potential clinical applications for noninvasive disease diagnosis and treatment monitoring.
X-FAST: A versatile, high-throughput, and user-friendly XUV femtosecond absorption spectroscopy tabletop instrument
Authors: Ash Ryan , Abhari Zain , Candela Roberta , Welke Noah , Murawski Jake , Gardezi S. Minhal , Venkatasubramanian Nikhilesh , Munawar Muneeza , Siewert Frank , Sokolov Andrey , LaDuca Zachary , Kawasaki Jason , Bergmann Uwe
Published: July 2023

We present the X-FAST (XUV Femtosecond Absorption Spectroscopy Tabletop) instrument at the University of Wisconsin-Madison. The instrument produces femtosecond extreme ultraviolet photon pulses via high-harmonic generation in the range of 40–72 eV, as well as optical pump pulses for transient-absorption experiments. The system implements a gas-cooled sample cell that enables studying the dynamics of thermally sensitive thin-film samples. This paper provides potential users with specifications of the optical, vacuum, data acquisition, and sample cooling systems of the X-FAST instrument, along with performance metrics and data of an ultrafast laser-induced phase transition in a Ni2MnGa Heusler thin film.
Sum-frequency generation at interfaces: A Fresnel story. III. Origin of pseudo-resonant processes in centrosymmetric bulks
Authors: Busson Bertrand
Published: July 2023

The properties of bulk contribution to sum-frequency generation reflected and transmitted by a finite layer in a multilayer system are described. The leading term is essentially due to the processes emitting in the transmission geometry, in particular for macroscopic layers. For such transmission processes, phase mismatch leads to the production of interference fringes when the layer thickness or a wavelength is tuned, which may be mistaken for resonant processes inside or at the surface of the material. Experimental evidence of such fringes measured from centrosymmetric bulks is provided for a diamond window in the far infrared and suggested for other materials in previously published data. The existence of a stationary point in the phase mismatch, related to the group velocity mismatch, is shown to be the source of another pseudo-resonant process in centrosymmetric calcium and barium fluorides, for which theoretical predictions reproduce the experimental observations.
Synchronization transitions in Kuramoto networks with higher-mode interaction
Authors: Berner Rico , Lu Annie , Sokolov Igor M.
Published: July 2023

Synchronization is an omnipresent collective phenomenon in nature and technology, whose understanding is still elusive for real-world systems in particular. We study the synchronization transition in a phase oscillator system with two nonvanishing Fourier-modes in the interaction function, hence going beyond the Kuramoto paradigm. We show that the transition scenarios crucially depend on the interplay of the two coupling modes. We describe the multistability induced by the presence of a second coupling mode. By extending the collective coordinate approach, we describe the emergence of various states observed in the transition from incoherence to coherence. Remarkably, our analysis suggests that, in essence, the two-mode coupling gives rise to states characterized by two independent but interacting groups of oscillators. We believe that these findings will stimulate future research on dynamical systems, including complex interaction functions beyond the Kuramoto-type.
Three-dimensional nonlinear dynamics of a thin liquid film on a spinning ellipsoid
Authors: Duruk S. , Shepherd R. G. , Boujo E. , Sellier M.
Published: July 2023

The present work investigates the three-dimensional flow of a thin liquid film distributed on the outer surface of an ellipsoid, rotating around the vertical axis at constant angular velocity. The lubrication approximation expressing the evolution of the film thickness, originally developed for stationary curved substrates, has been re-derived by including the non-inertial forces associated with the rotation. This comprehensive model, which incorporates the gravitational, centrifugal, and capillary forces, is employed for a parametric investigation via numerical simulations. The results validate and extend the conclusions of our former study covering the axisymmetric case and bring about an advanced understanding by exploring non-axisymmetric effects. The parametric analysis sheds light on the significance of rotation on a non-constant curvature substrate by comparing the thickness profiles with the static case.
Kernel based quantum machine learning at record rate: Many-body distribution functionals as compact representations
Authors: Khan Danish , Heinen Stefan , von Lilienfeld O. Anatole
Published: July 2023

The feature vector mapping used to represent chemical systems is a key factor governing the superior data efficiency of kernel based quantum machine learning (QML) models applicable throughout chemical compound space. Unfortunately, the most accurate representations require a high dimensional feature mapping, thereby imposing a considerable computational burden on model training and use. We introduce compact yet accurate, linear scaling QML representations based on atomic Gaussian many-body distribution functionals (MBDF) and their derivatives. Weighted density functions of MBDF values are used as global representations that are constant in size, i.e., invariant with respect to the number of atoms. We report predictive performance and training data efficiency that is competitive with state-of-the-art for two diverse datasets of organic molecules, QM9 and QMugs. Generalization capability has been investigated for atomization energies, highest occupied molecular orbital–lowest unoccupied molecular orbital eigenvalues and gap, internal energies at 0 K, zero point vibrational energies, dipole moment norm, static isotropic polarizability, and heat capacity as encoded in QM9. MBDF based QM9 performance lowers the optimal Pareto front spanned between sampling and training cost to compute node minutes, effectively sampling chemical compound space with chemical accuracy at a sampling rate of ∼48 molecules per core second.
Vibrational frequencies of CO bound to all three low-index cerium oxide surfaces: A consistent theoretical description of vacancy-induced changes using density functional theory
Authors: Lustemberg Pablo G. , Yang Chengwu , Wang Yuemin , Wöll Christof , Ganduglia-Pirovano M. Verónica
Published: July 2023

The facet-dependent adsorption of CO on oxidized and reduced CeO2 single crystal surfaces is reviewed, with emphasis on the effect of CO coverage and the ability of state-of-the-art quantum-mechanical methods to provide reliable energies and an accurate description of the IR vibrational frequency of CO. Comparison with detailed, high-resolution experimental infrared reflection absorption spectroscopy data obtained for single crystal samples allows the assignment of the different CO vibrational bands observed on all three low-index ceria surfaces. Good agreement is achieved with the hybrid density functional theory approach with the HSE06 functional and with saturation coverage. It is shown that CO is very sensitive to the structure of cerium oxide surfaces and to the presence of oxygen vacancies. The combined theoretical-experimental approach offers new opportunities for a better characterization of ceria nanoparticles and for unraveling changes occurring during reactions involving CO at higher pressures.
A high-speed and power-efficient gradient-pulse injection method for spin-transfer torque magnetic random-access memory
Authors: Sun Lin , Guo Lei , Wang Guocai , Su Hua , Liu Bo , Tang Xiaoli
Published: July 2023

With the development of modern computer storage technology, the spin-transfer torque magnetic random-access memory (STT-MRAM) has become one of the most promising candidates to replace the static random-access memory and dynamic random-access memory. However, its large power consumption and long relaxation time before the magnetic moments switch are important factors restricting its commercial application. In this work, gradient-current pulses are proposed to replace the conventional constant-current pulses in the injection method. A 70-nm classical CoFeB/MgO/CoFeB magnetic tunnel junction (MTJ) with perpendicular magnetic anisotropy was simulated and measured at pulse widths of 20, 30, and 40 ns using the proposed and conventional injection pulses. The comparison results show that adopting gradient pulses can significantly reduce the relaxation time and switching power consumption of the MTJ. A power consumption reduction of 8%–40% is obtained at different pulse amplitudes and widths. Our method paves an avenue for overcoming the issues affecting the STT-MRAM and could help to promote its commercial applications.
Direct numerical simulation of slender cones with variable nose bluntness based on graphics processing unit computation
Authors: Zhu Yanhua , Li Xinliang , Guo Tongbiao , Liu Hongwei , Tong Fulin
Published: July 2023

Direct numerical simulation with up to 10×109 scale grid points based on graphics processing unit computation is carried out to investigate the bluntness effect on the hypersonic boundary-layer transition over a slender cone with zero angle of attack at Mach 6. Four cases with the nose radii of 1, 10, 20, and 40 mm are conducted, and the corresponding Reynolds number based on the nose radius varies from 1.0×104 to 4.0×105. Random disturbances with a broad spectrum of frequencies and a wide range of azimuthal wavenumbers were applied to the wall to simulate disturbances caused by wall roughness. The numerical results show that as the nose tip radius increases, the transition position gradually moves downstream with increased transition region. For the case with a nose radius of 1 mm, the flow transition and entropy swallowing occur almost simultaneously, while for other cases, the transition takes place earlier than the entropy swallowing. In consequence, the disturbance amplitude upstream of the transition in the 1 mm case is much larger than that of other cases. To further study the mechanism of the transition, the frequency spectrum analysis is carried out. It is found that all cases exhibit two characteristic frequencies within the transition region, i.e., the high frequency and extremely low frequency. Owing to the influence of the entropy layer, the characteristic high frequency of the 1 mm case is significantly higher than that of other cases. With the increase in the nose radius, the characteristic frequency of the high frequency decreases gradually.
Evidence of oxygen evolution over sputtered zinc ferrite (ZnFe2O4) thin film by enhanced lattice oxygen participation
Authors: Singh Anchal Kishore , Kumar Sarvesh , Yadav Bhim Sen , Vishwakarma Anand Kumar , Kumar Naresh
Published: July 2023

We report evidence of oxygen evolution over zinc ferrite (ZnFe2O4) thin films grown on indium tin oxide and quartz substrates using the RF sputtering. The thin films are deposited at ambient temperature with different argon/oxygen gas ratios, specifically 1:0 (Z–Ar), 1:1 (Z–Ar:O), and 0:1 (Z–O). Structural characterization using grazing incidence x-ray diffraction at a 0.400° grazing angle confirmed the polycrystalline nature of the films. X-ray photoelectron spectroscopy scans of Zn 2p, Fe 2p, and O1s were conducted to investigate the lattice oxygen vacancies. The lattice oxygen vacancies in the Z–Ar film resulted in a lower bandgap of 2.05 eV than the Z–O film of 2.36 eV. The oxygen evolution reaction (OER) performances of the thin films are investigated to understand the effect of oxygen vacancies on electrochemical activity and observed that the Z–Ar film, with oxygen vacancies, exhibits a decrease in overpotential by ∼12.5% at 10 mA cm−2, eightfold increase in current density at 520 mV overpotential deduced from linear sweep voltammetry, and a 71.9% increase in donor density inferred from the Mott–Schottky plot, as compared to the Z–O film. The findings suggest that the Z–Ar film follows a “lattice oxygen participation mechanism” for the OER, instead of an “adsorbate evolution mechanism” observed in the Z–O film. The results highlight the significant impact of argon/oxygen gas ratios on the structural, optical, and electrochemical properties of zinc ferrite thin films and provide insight into the role of oxygen vacancies in modulating the OER performance for potential applications.
Exact internal waves in the presence of mean currents and rotation
Authors: McCarney Jordan
Published: July 2023

We construct a new exact solution that represents a Pollard-like, three-dimensional, nonlinear internal wave propagating on a uniform zonal current in the presence of the Earth’s rotation. The solution is presented in Lagrangian coordinates, and in the process, we derive a dispersion relation for the internal waves in a stably stratified ocean. We show that the presence of a mean zonal current produces an intrinsically nonlinear mode of wave motion, representing a slow, inertial, internal wave.