bluuebunny/crossref_metadata_2025 huggingface dataset:
Designer phospholipid capping ligands for soft metal halide nanocrystals
Authors: Morad Viktoriia , Stelmakh Andriy , Svyrydenko Mariia , Feld Leon G. , Boehme Simon C. , Aebli Marcel , Affolter Joel , Kaul Christoph J. , Schrenker Nadine J. , Bals Sara , Sahin Yesim , Dirin Dmitry N. , Cherniukh Ihor , Raino Gabriele , Baumketner Andrij , Kovalenko Maksym V.
Published: December 2023

The success of colloidal semiconductor nanocrystals (NCs) in science and optoelectronics is inextricable from their surfaces. The functionalization of lead halide perovskite NCs1–5 poses a formidable challenge because of their structural lability, unlike the well-established covalent ligand capping of conventional semiconductor NCs6,7. We posited that the vast and facile molecular engineering of phospholipids as zwitterionic surfactants can deliver highly customized surface chemistries for metal halide NCs. Molecular dynamics simulations implied that ligand–NC surface affinity is primarily governed by the structure of the zwitterionic head group, particularly by the geometric fitness of the anionic and cationic moieties into the surface lattice sites, as corroborated by the nuclear magnetic resonance and Fourier-transform infrared spectroscopy data. Lattice-matched primary-ammonium phospholipids enhance the structural and colloidal integrity of hybrid organic–inorganic lead halide perovskites (FAPbBr3 and MAPbBr3 (FA, formamidinium; MA, methylammonium)) and lead-free metal halide NCs. The molecular structure of the organic ligand tail governs the long-term colloidal stability and compatibility with solvents of diverse polarity, from hydrocarbons to acetone and alcohols. These NCs exhibit photoluminescence quantum yield of more than 96% in solution and solids and minimal photoluminescence intermittency at the single particle level with an average ON fraction as high as 94%, as well as bright and high-purity (about 95%) single-photon emission.
A digital health algorithm to guide antibiotic prescription in pediatric outpatient care: a cluster randomized controlled trial
Authors: Tan Rainer , Kavishe Godfrey , Luwanda Lameck B. , Kulinkina Alexandra V. , Renggli Sabine , Mangu Chacha , Ashery Geofrey , Jorram Margaret , Mtebene Ibrahim Evans , Agrea Peter , Mhagama Humphrey , Vonlanthen Alan , Faivre Vincent , Thabard Julien , Levine Gillian , Le Pogam Marie-Annick , Keitel Kristina , Taffé Patrick , Ntinginya Nyanda , Masanja Honorati , D’Acremont Valérie
Published: December 2023

Excessive antibiotic use and antimicrobial resistance are major global public health threats. We developed ePOCT+, a digital clinical decision support algorithm in combination with C-reactive protein test, hemoglobin test, pulse oximeter and mentorship, to guide health-care providers in managing acutely sick children under 15 years old. To evaluate the impact of ePOCT+ compared to usual care, we conducted a cluster randomized controlled trial in Tanzanian primary care facilities. Over 11 months, 23,593 consultations were included from 20 ePOCT+ health facilities and 20,713 from 20 usual care facilities. The use of ePOCT+ in intervention facilities resulted in a reduction in the coprimary outcome of antibiotic prescription compared to usual care (23.2% versus 70.1%, adjusted difference −46.4%, 95% confidence interval (CI) −57.6 to −35.2). The coprimary outcome of day 7 clinical failure was noninferior in ePOCT+ facilities compared to usual care facilities (adjusted relative risk 0.97, 95% CI 0.85 to 1.10). There was no difference in the secondary safety outcomes of death and nonreferred secondary hospitalizations by day 7. Using ePOCT+ could help address the urgent problem of antimicrobial resistance by safely reducing antibiotic prescribing. Clinicaltrials.gov Identifier: NCT05144763
Global inventory of species categorized by known underwater sonifery
Authors: Looby Audrey , Erbe Christine , Bravo Santiago , Cox Kieran , Davies Hailey L. , Di Iorio Lucia , Jézéquel Youenn , Juanes Francis , Martin Charles W. , Mooney T. Aran , Radford Craig , Reynolds Laura K. , Rice Aaron N. , Riera Amalis , Rountree Rodney , Spriel Brittnie , Stanley Jenni , Vela Sarah , Parsons Miles J. G.
Published: December 2023

A working group from the Global Library of Underwater Biological Sounds effort collaborated with the World Register of Marine Species (WoRMS) to create an inventory of species confirmed or expected to produce sound underwater. We used several existing inventories and additional literature searches to compile a dataset categorizing scientific knowledge of sonifery for 33,462 species and subspecies across marine mammals, other tetrapods, fishes, and invertebrates. We found 729 species documented as producing active and/or passive sounds under natural conditions, with another 21,911 species deemed likely to produce sounds based on evaluated taxonomic relationships. The dataset is available on both figshare and WoRMS where it can be regularly updated as new information becomes available. The data can also be integrated with other databases (e.g., SeaLifeBase, Global Biodiversity Information Facility) to advance future research on the distribution, evolution, ecology, management, and conservation of underwater soniferous species worldwide.
A large-scale dataset of patient summaries for retrieval-based clinical decision support systems
Authors: Zhao Zhengyun , Jin Qiao , Chen Fangyuan , Peng Tuorui , Yu Sheng
Published: December 2023

Retrieval-based Clinical Decision Support (ReCDS) can aid clinical workflow by providing relevant literature and similar patients for a given patient. However, the development of ReCDS systems has been severely obstructed by the lack of diverse patient collections and publicly available large-scale patient-level annotation datasets. In this paper, we collect a novel dataset of patient summaries and relations called PMC-Patients to benchmark two ReCDS tasks: Patient-to-Article Retrieval (ReCDS-PAR) and Patient-to-Patient Retrieval (ReCDS-PPR). Specifically, we extract patient summaries from PubMed Central articles using simple heuristics and utilize the PubMed citation graph to define patient-article relevance and patient-patient similarity. PMC-Patients contains 167k patient summaries with 3.1 M patient-article relevance annotations and 293k patient-patient similarity annotations, which is the largest-scale resource for ReCDS and also one of the largest patient collections. Human evaluation and analysis show that PMC-Patients is a diverse dataset with high-quality annotations. We also implement and evaluate several ReCDS systems on the PMC-Patients benchmarks to show its challenges and conduct several case studies to show the clinical utility of PMC-Patients.
Long-term gridded land evapotranspiration reconstruction using Deep Forest with high generalizability
Authors: Feng Qiaomei , Shen Junyong , Yang Feng , Liang Shijing , Liu Jiang , Kuang Xingxing , Wang Dashan , Zeng Zhenzhong
Published: December 2023

Previous datasets have limitations in generalizing evapotranspiration (ET) across various land cover types due to the scarcity and spatial heterogeneity of observations, along with the incomplete understanding of underlying physical mechanisms as a deeper contributing factor. To fill in these gaps, here we developed a global Highly Generalized Land (HG-Land) ET dataset at 0.5° spatial resolution with monthly values covering the satellite era (1982–2018). Our approach leverages the power of a Deep Forest machine-learning algorithm, which ensures good generalizability and mitigates overfitting by minimizing hyper-parameterization. Model explanations are further provided to enhance model transparency and gain new insights into the ET process. Validation conducted at both the site and basin scales attests to the dataset’s satisfactory accuracy, with a pronounced emphasis on the Northern Hemisphere. Furthermore, we find that the primary driver of ET predictions varies across different climatic regions. Overall, the HG-Land ET, underpinned by the interpretability of the machine-learning model, emerges as a validated and generalized resource catering to scientific research and various applications.
Novel 3-(pyrazol-4-yl)-2-(1H-indole-3-carbonyl)acrylonitrile derivatives induce intrinsic and extrinsic apoptotic death mediated P53 in HCT116 colon carcinoma
Authors: Mohamed Magda F. , Ibrahim Nada S. , Saddiq Amna A. , Abdelhamid Ismail A.
Published: December 2023

A novel series of α-cyano indolylchalcones was prepared, and their chemical structures were confirmed based on the different spectral data. Among them, compound 7f was observed to be the most effective bioactive chalcone with distinguished potency and selectivity against colorectal carcinoma (HCT116) with IC50 value (6.76 µg/mL) relative to the positive control (5 FU) (77.15 µg/mL). In a preliminary action study, the acrylonitrile chalcone 7f was found to enhance apoptotic action via different mechanisms like inhibition of some anti-apoptotic protein expression, regulation of some apoptotic proteins, production of caspases, and cell cycle arrest. All mechanisms suggested that compound 7f could act as a professional chemotherapeutic agent. Also, a molecular docking study was achieved on some selected proteins implicated in cancer (Caspase 9, XIAP, P53 mutant Y220C, and MDM2) which showed variable interactions with compound 7f with good Gibbs free energy scores.
Novel environmental monitoring detector for discriminating fallout and airborne radioactivity
Authors: Holm Philip , Ihantola Sakari , Bogdanoff Ville , Peräjärvi Kari , Dendooven Peter , Tengblad Olof , Muikku Maarit
Published: December 2023

Early warning networks are used for detecting abnormal radioactivity levels in the environment. State-of-the-art networks are equipped with both dose rate detectors and spectrometric stations. Current networks don’t automatically discriminate between radioactivity on the ground and in the air. A novel directional sensing gamma radiation detector utilizing a collimated phoswich scintillator was developed. The signals from the two scintillator materials are separated using a pulse shape discrimination. The separated signals are employed to determine the radioactivity concentrations on the ground and in the air assuming specific concentration distributions. Limitations related to imperfect directional sensing and dead time are discussed.
Risk assessment requires several bee species to address species-specific sensitivity to insecticides at field-realistic concentrations
Authors: Jütte Tobias , Wernecke Anna , Klaus Felix , Pistorius Jens , Dietzsch Anke C.
Published: December 2023

In the European registration process, pesticides are currently mainly tested on the honey bee. Since sensitivity data for other bee species are lacking for the majority of xenobiotics, it is unclear if and to which extent this model species can adequately serve as surrogate for all wild bees. Here, we investigated the effects of field-realistic contact exposure to a pyrethroid insecticide, containing lambda-cyhalothrin, on seven bee species (Andrena vaga, Bombus terrestris, Colletes cunicularius, Osmia bicornis, Osmia cornuta, Megachile rotundata, Apis mellifera) with different life history characteristics in a series of laboratory trials over two years. Our results on sensitivity showed significant species-specific responses to the pesticide at a field-realistic application rate (i.e., 7.5 g a.s./ha). Species did not group into distinct classes of high and low mortality. Bumble bee and mason bee survival was the least affected by the insecticide, and M. rotundata survival was the most affected with all individuals dead 48 h after application. Apis mellifera showed medium mortality compared to the other bee species. Most sublethal effects, i.e. behavioral abnormalities, were observed within the first hours after application. In some of the solitary species, for example O. bicornis and A. vaga, a higher percentage of individuals performed some abnormal behavior for longer until the end of the observation period. While individual bee weight explained some of the observed mortality patterns, differences are likely linked to additional ecological, phylogenetic or toxicogenomic parameters as well. Our results support the idea that honey bee data can be substitute for some bee species’ sensitivity and may justify the usage of safety factors. To adequately cover more sensitive species, a larger set of bee species should be considered for risk assessment.
Elderly and visually impaired indoor activity monitoring based on Wi-Fi and Deep Hybrid convolutional neural network
Authors: Deepa K. , Bacanin Nebojsa , Askar S. S. , Abouhawwash Mohamed
Published: December 2023

A drop in physical activity and a deterioration in the capacity to undertake daily life activities are both connected with ageing and have negative effects on physical and mental health. An Elderly and Visually Impaired Human Activity Monitoring (EV-HAM) system that keeps tabs on a person’s routine and steps in if a change in behaviour or a crisis might greatly help an elderly person or a visually impaired. These individuals may find greater freedom with the help of an EVHAM system. As the backbone of human-centric applications like actively supported living and in-home monitoring for the elderly and visually impaired, an EVHAM system is essential. Big data-driven product design is flourishing in this age of 5G and the IoT. Recent advancements in processing power and software architectures have also contributed to the emergence and development of artificial intelligence (AI). In this context, the digital twin has emerged as a state-of-the-art technology that bridges the gap between the real and virtual worlds by evaluating data from several sensors using artificial intelligence algorithms. Although promising findings have been reported by Wi-Fi-based human activity identification techniques so far, their effectiveness is vulnerable to environmental variations. Using the environment-independent fingerprints generated from the Wi-Fi channel state information (CSI), we introduce Wi-Sense. This human activity identification system employs a Deep Hybrid convolutional neural network (DHCNN). The proposed system begins by collecting the CSI with a regular Wi-Fi Network Interface Controller. Wi-Sense uses the CSI ratio technique to lessen the effect of noise and the phase offset. The t- Distributed Stochastic Neighbor Embedding (t-SNE) is used to eliminate unnecessary data further. The data dimension is decreased, and the negative effects on the environment are eliminated in this process. The resulting spectrogram of the processed data exposes the activity’s micro-Doppler fingerprints as a function of both time and location. These spectrograms are put to use in the training of a DHCNN. Based on our findings, EVHAM can accurately identify these actions 99% of the time.
Anatomy of the endocrine pancreas in actinopterygian fishes and its phylogenetic implications
Authors: Chanet Bruno , Schnell Nalani K. , Guintard Claude , Chen Wei-Jen
Published: December 2023

The anatomy and organisation of the endocrine pancreas in ray-finned fishes vary widely. The two main morphoanatomical character states are diffuse versus compact pancreatic tissue. The latter are called Brockmann Bodies (BBs), or principal islets. The present study is the first comprehensive survey on the anatomy of the endocrine pancreas (diffuse versus compact) across 322 actinopterygian species in 39 orders and 135 families based on literature, specimen dissections, and Magnetic Resonance Imaging (MRI). The data obtained show that large endocrine pancreatic islets (BB) have appeared several times in teleost evolution: in some ostariophysian clades and within the Salmoniformes and Neoteleostei. Acanthomorpha (spiny-rayed fishes) is the largest clade of the Neoteleostei. Within this clade, an absence of BBs is only observed in flying fishes (Exocoetidae), parrotfishes (Scarinae), and some of the scarine relatives, the Labridae. The presence of BBs in examined jellynose fish species from the Ateleopodiformes indicates support for its sister-group relationship to the Ctenosquamata (Myctophiformes + Acanthomorpha). More investigations are still needed to corroborate the presence or absence of BBs as a putative synapomorphy for a clade comprising Ateleopodiformes and Ctenosquamata.
Identification and high-throughput genotyping of single nucleotide polymorphism markers in a non-model conifer (Abies nordmanniana (Steven) Spach)
Authors: Ousmael Kedra , Whetten Ross W. , Xu Jing , Nielsen Ulrik B. , Lamour Kurt , Hansen Ole K.
Published: December 2023

Single nucleotide polymorphism (SNP) markers are powerful tools for investigating population structures, linkage analysis, and genome-wide association studies, as well as for breeding and population management. The availability of SNP markers has been limited to the most commercially important timber species, primarily due to the cost of genome sequencing required for SNP discovery. In this study, a combination of reference-based and reference-free approaches were used to identify SNPs in Nordmann fir (Abies nordmanniana), a species previously lacking genomic sequence information. Using a combination of a genome assembly of the closely related Silver fir (Abies alba) species and a de novo assembly of low-copy regions of the Nordmann fir genome, we identified a high density of reliable SNPs. Reference-based approaches identified two million SNPs in common between the Silver fir genome and low-copy regions of Nordmann fir. A combination of one reference-free and two reference-based approaches identified 250 shared SNPs. A subset of 200 SNPs were used to genotype 342 individuals and thereby tested and validated in the context of identity analysis and/or clone identification. The tested SNPs successfully identified all ramets per clone and five mislabeled individuals via identity and genomic relatedness analysis. The identified SNPs will be used in ad hoc breeding of Nordmann fir in Denmark.
Magnetic resonance image-based brain age as a discriminator of dementia conversion in patients with amyloid-negative amnestic mild cognitive impairment
Authors: Kim Hye Weon , Kim Hyung-Ji , Lee Hyunji , Yang Hyeonsik , Rieu ZunHyan , Lee Jae-Hong
Published: December 2023

Patients with amyloid-negative amnestic mild cognitive impairment (MCI) have a conversion rate of approximately 10% to dementia within 2 years. We aimed to investigate whether brain age is an important factor in predicting conversion to dementia in patients with amyloid-negative amnestic MCI. We conducted a retrospective cohort study of patients with amyloid-negative amnestic MCI. All participants underwent detailed neuropsychological evaluation, brain magnetic resonance imaging (MRI), and [18F]-florbetaben positron emission tomography. Brain age was determined by the volumetric assessment of 12 distinct brain regions using an automatic segmentation software. During the follow-up period, 38% of the patients converted from amnestic MCI to dementia. Further, 73% of patients had a brain age greater than their actual chronological age. When defining ‘survival' as the non-conversion of MCI to dementia, these groups differed significantly in survival probability (p = 0.036). The low-educated female group with a brain age greater than their actual age had the lowest survival rate among all groups. Our findings suggest that the MRI-based brain age used in this study can contribute to predicting conversion to dementia in patients with amyloid-negative amnestic MCI.
β-Ketoallylic methylsulfones synthesis via inert C(sp3)–H bond activation by magnetic Ag–Cu MOF
Authors: Moghaddam Firouz Matloubi , Jarahiyan Atefeh , Pazoki Parisa Yaqubnezhad
Published: December 2023

Herein, the one-pot tandem synthesis of β-ketoallylic methylsulfones has been achieved from readily available dimethyl sulfoxide and acetophenones as coupling partners in one step. In this procedure, dimethyl sulfoxide serves as a triple role including solvent, dual synthon and as an oxidant agent. The use of magnetic Ag–Cu MOF as a bimetallic catalyst is the key to the progress of the reaction due to its accessible active sites. It provides facile access to various β-ketoallylic methylsulfone derivatives from direct C(sp3)–H bond activation and functionalization of aromatic methyl ketones especially acetophenones with electron-rich and electron-poor groups. Moreover, the present work offers a synthetically powerful strategy to form products in good to excellent yields (74–96%) with the atom, step, and pot economics. It has also delivered a new chromane-4-one derivative from 2-hydroxy acetophenone with intramolecular Michael-addition of related β-ketoallyl methylsulfone product. In the final step, the electronic properties of some products have been predicted with the theoretical studies.
Host-response transcriptional biomarkers accurately discriminate bacterial and viral infections of global relevance
Authors: Ko Emily R. , Reller Megan E. , Tillekeratne L. Gayani , Bodinayake Champica K. , Miller Cameron , Burke Thomas W. , Henao Ricardo , McClain Micah T. , Suchindran Sunil , Nicholson Bradly , Blatt Adam , Petzold Elizabeth , Tsalik Ephraim L. , Nagahawatte Ajith , Devasiri Vasantha , Rubach Matthew P. , Maro Venance P. , Lwezaula Bingileki F. , Kodikara-Arachichi Wasantha , Kurukulasooriya Ruvini , De Silva Aruna D. , Clark Danielle V. , Schully Kevin L. , Madut Deng , Dumler J. Stephen , Kato Cecilia , Galloway Renee , Crump John A. , Ginsburg Geoffrey S. , Minogue Timothy D. , Woods Christopher W.
Published: December 2023

Diagnostic limitations challenge management of clinically indistinguishable acute infectious illness globally. Gene expression classification models show great promise distinguishing causes of fever. We generated transcriptional data for a 294-participant (USA, Sri Lanka) discovery cohort with adjudicated viral or bacterial infections of diverse etiology or non-infectious disease mimics. We then derived and cross-validated gene expression classifiers including: 1) a single model to distinguish bacterial vs. viral (Global Fever-Bacterial/Viral [GF-B/V]) and 2) a two-model system to discriminate bacterial and viral in the context of noninfection (Global Fever-Bacterial/Viral/Non-infectious [GF-B/V/N]). We then translated to a multiplex RT-PCR assay and independent validation involved 101 participants (USA, Sri Lanka, Australia, Cambodia, Tanzania). The GF-B/V model discriminated bacterial from viral infection in the discovery cohort an area under the receiver operator curve (AUROC) of 0.93. Validation in an independent cohort demonstrated the GF-B/V model had an AUROC of 0.84 (95% CI 0.76–0.90) with overall accuracy of 81.6% (95% CI 72.7–88.5). Performance did not vary with age, demographics, or site. Host transcriptional response diagnostics distinguish bacterial and viral illness across global sites with diverse endemic pathogens.
Risk stratification utilizing sequential organ failure assessment (SOFA) score, antithrombin activity, and demographic data in sepsis-associated disseminated intravascular coagulation (DIC)
Authors: Iba Toshiaki , Maier Cheryl L. , Tanigawa Tomoki , Levy Jerrold H.
Published: December 2023

Disseminated intravascular coagulation (DIC) is a frequent complication in patients with sepsis and is associated with increased mortality. Anticoagulant therapy may be appropriate for certain patients with DIC, particularly those with increased disease severity and deficiency in the physiologic anticoagulant antithrombin. We retrospectively analyzed post-marketing survey data from 1562 patients with sepsis-associated DIC and antithrombin activity of 70% or less. All the patients were treated with antithrombin concentrates. Baseline sequential organ failure assessment (SOFA) score, DIC score, and antithrombin activity were assessed. Cox multivariate regression analysis, Kaplan–Meier curve analysis, and receiver operating characteristic (ROC) curve analysis were performed to evaluate the performance of variables used to assess mortality. Furthermore, a decision tree was constructed to classify the risk of 28-day mortality. COX multivariate regression analysis demonstrated a significant association of age, sex, baseline SOFA score, baseline antithrombin activity, and the presence of pneumonia or skin/soft tissue infection with increased mortality. The area under the curve of SOFA score or antithrombin activity for mortality was 0.700 and 0.614, respectively. Kaplan–Meier analysis demonstrated that mortality was significantly higher in patients with SOFA score ≥ 12 and antithrombin activity < 47%. The decision tree analysis accurately classified the risk of death into high (> 40%), medium (40%–20%), and low (< 20%) categories in 86.1% of the cohort. Twenty eight-day mortality can be strongly predicted using baseline SOFA score, antithrombin activity, infection site, age, and sex as variables in the clinical decision tree for patients with sepsis-associated disseminated intravascular coagulation (DIC).
Evidence for optimal semantic search throughout adulthood
Authors: Zemla Jeffrey C. , Gooding Diane C. , Austerweil Joseph L.
Published: December 2023

As people age, they learn and store new knowledge in their semantic memory. Despite learning a tremendous amount of information, people can still recall information relevant to the current situation with ease. To accomplish this, the mind must efficiently organize and search a vast store of information. It also must continue to retrieve information effectively despite changes in cognitive mechanisms due to healthy aging, including a general slowing in information processing and a decline in executive functioning. How effectively does the mind of an individual adjust its search to account for changes due to aging? We tested 746 people ages 25 through 69 on a semantic fluency task (free listing animals) and found that, on average, retrieval follows an optimal path through semantic memory. Participants tended to list a sequence of semantically related animals (e.g., lion, tiger, puma) before switching to a semantically unrelated animal (e.g., whale). We found that the timing of these transitions to semantically unrelated animals was remarkably consistent with an optimal strategy for maximizing the overall rate of retrieval (i.e., the number of animals listed per unit time). Age did not affect an individual’s deviation from the optimal strategy given their general performance, suggesting that people adapt and continue to search memory optimally throughout their lives. We argue that this result is more likely due to compensating for a general slowing than a decline in executive functioning.
Fenofibrate reduces glucose-induced barrier dysfunction in feline enteroids
Authors: Crawford Charles K. , Beltran Aeelin , Castillo Diego , Matloob Muhammad S. , Uehara Mimoli E. , Quilici Mary L. , Cervantes Veronica Lopez , Kol Amir
Published: December 2023

Diabetes mellitus (DM) is a common chronic metabolic disease in humans and household cats that is characterized by persistent hyperglycemia. DM is associated with dysfunction of the intestinal barrier. This barrier is comprised of an epithelial monolayer that contains a network of tight junctions that adjoin cells and regulate paracellular movement of water and solutes. The mechanisms driving DM-associated barrier dysfunction are multifaceted, and the direct effects of hyperglycemia on the epithelium are poorly understood. Preliminary data suggest that fenofibrate, An FDA-approved peroxisome proliferator-activated receptor-alpha (PPARα) agonist drug attenuates intestinal barrier dysfunction in dogs with experimentally-induced DM. We investigated the effects of hyperglycemia-like conditions and fenofibrate treatment on epithelial barrier function using feline intestinal organoids. We hypothesized that glucose treatment directly increases barrier permeability and alters tight junction morphology, and that fenofibrate administration can ameliorate these deleterious effects. We show that hyperglycemia-like conditions directly increase intestinal epithelial permeability, which is mitigated by fenofibrate. Moreover, increased permeability is caused by disruption of tight junctions, as evident by increased junctional tortuosity. Finally, we found that increased junctional tortuosity and barrier permeability in hyperglycemic conditions were associated with increased protein kinase C-α (PKCα) activity, and that fenofibrate treatment restored PKCα activity to baseline levels. We conclude that hyperglycemia directly induces barrier dysfunction by disrupting tight junction structure, a process that is mitigated by fenofibrate. We further propose that counteracting modulation of PKCα activation by increased intracellular glucose levels and fenofibrate is a key candidate regulatory pathway of tight junction structure and epithelial permeability.
Shape and fractures of carina sterni in chicken genotypes with different egg deposition rates reared indoor or free-range
Authors: Pulcini Domitilla , Mattioli Simona , Angelucci Elisa , Chenggang Wei , Cartoni Mancinelli Alice , Napolitano Riccardo , Sirri Federico , Piscitelli Raffaela , Mugnai Cecilia , Castellini Cesare
Published: December 2023

Commercial laying hens have high frequency of damage to the keel bone (KB), which causes negative effects on health and welfare. KB damage may consist in fractures (KBF) and deviations (KBD). The aim of the present study was to compare the KB shape, by means of Geometric Morphometric, and the occurrence of fractures in different chicken genotypes reared either free-range (FR) or in enriched cages. Moreover, the relationship between KB shape, genotype and rearing system was analysed. Sixty birds/genotype (2 Italian local breeds, Bionda Piemontese and Robusta Maculata, their crossbreeds with Sasso and Lohmann Brown) were used. All the hens fed the same commercial feed throughout the trial. Body weight, egg production, feed intake and mortality were recorded from 25 to 66 weeks of age. Ca intake (IN) and output (OUT) were estimated and Ca OUT/IN was calculated. FR affected the occurrence of KB deviations but not the shape, whereas the fractures were mainly affected by genotype. Local breeds had a lower prevalence of KBF with similar level of KBD but with different shapes. Crossbreeds seemed to be a suitable compromise between egg deposition rate and occurrence of KB damages.
Demographics, clinical characteristics, and outcomes in hospitalized patients during six waves of COVID‑19 in Northern Iran: a large cohort study
Authors: Shirafkan Hoda , Sadeghi Farzin , Halaji Mehrdad , Rahmani Rabeae , Yahyapour Yousef
Published: December 2023

Since the first report of coronavirus disease 2019 (COVID-19) in Iran, our country has experienced several waves of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection. Northern Iran was one of the most affected regions of the country by COVID-19. In the current study, the demographic and clinical characteristics and outcomes of hospitalized patients were determined over a 2-year period (during six waves of SARS-CoV-2). This is a large cohort study investigating hospitalized patients with suspected and probable, and confirmed SARS-CoV-2 infection in Babol district, northern Iran, during the two years of COVID-19. The study population included patients admitted to four hospitals affiliated with Babol University of Medical Sciences between March 7, 2020 (start of the first wave) and March 20, 2022 (end of the sixth wave). Epidemiological and demographic characteristics, real-time PCR, cycle thresholds, clinical data and outcomes of COVID-19 were analyzed in 24,287 hospitalized patients. A total of 24,287 hospitalized patients were included in the study: 13,250 (46.6%) patients were suspected of having COVID-19, 11037(45.4%) were confirmed COVID-19 cases. The mean age of confirmed COVID-19 patients was 54.5 ± 18.9 years and 5961 (54%) were female. The median length of hospitalization for COVID-19 survivors and non-survivors was 5 (interquartile range [IQR] 4-8) and 7 (IQR 3-15) days, respectively. Of the patients with confirmed COVID-19, 714 (6.5%) died during hospitalization. In addition, the mortality rate from the first to the sixth wave was 22.9%, 8.1%, 9.9%, 6.8%, 2.7% and 3.5% in confirmed COVID-19 patients. The patients in the fifth wave were significantly younger than the others (mean age and SD of 51.1 ± 17.4 versus 59.2 ± 16.9, 54.7 ± 19.9, 58.4 ± 17.9, 53.5 ± 16.8 and 58.5 ± 25.1 years; p<0.001). The highest in-hospital mortality rate was 22.9% (126/551) in the first wave and the lowest in the fifth wave was 2.7% (96/3573) of cases. In conclusion, in the present study, the in-hospital mortality rate was 6.5% and more than half of the deceased patients were ≥65 years old. Male gender, advanced age and comorbidities significantly increased the mortality rate. The patients in the fifth wave were significantly younger than those in the other waves, and the lowest mortality rate and intensive care unit admission were also observed in the fifth wave.
Effects of the application of microbiologically activated bio-based fertilizers derived from manures on tomato plants and their rhizospheric communities
Authors: Clagnan Elisa , Cucina Mirko , De Nisi Patrizia , Dell’Orto Marta , D’Imporzano Giuliana , Kron-Morelli Roberto , Llenas-Argelaguet Laia , Adani Fabrizio
Published: December 2023

Bio-based fertilizers (BBFs) recovered from animal manure are promising products to optimise resources recovery and generate high agricultural yields. However, their fertilization value may be limited and it is necessary to enrich BBFs with microbial consortia to enhance their fertilization value. Three specific microbial consortia were developed according to the characteristics of three different BBFs produced from manure (bio-dried solid fraction, solid fraction of digestate and biochar) to enhance plant growth and product quality. A greenhouse pot experiment was carried out with tomato plants grown with microbiologically activated BBFs applied either as N-organic fertilizers or as an organic amendment. A next generation sequencing analysis was used to characterise the development of each rhizospheric community. All the activated BBFs gave enhanced tomato yields (fresh and dry weight) compared with the non-activated treatments and similar to, or higher than, chemical fertilization. Concerning the tomato fruits’ organoleptic quality, lycopene and carotenoids concentrations were improved by biological activation. Metagenomic analysis points at Trichoderma as the main driver of the positive effects, with the effects of added bacteria being negligible or limited at the early stages after fertilization. In the context of the circular economy, the activated BBFs could be used to replace synthetic fertilisers, reducing costs and environmental burdens and increasing production.
Time-dependent homeostatic mechanisms underlie brain-derived neurotrophic factor action on neural circuitry
Authors: O’Neill Kate M. , Anderson Erin D. , Mukherjee Shoutik , Gandu Srinivasa , McEwan Sara A. , Omelchenko Anton , Rodriguez Ana R. , Losert Wolfgang , Meaney David F. , Babadi Behtash , Firestein Bonnie L.
Published: December 2023

Plasticity and homeostatic mechanisms allow neural networks to maintain proper function while responding to physiological challenges. Despite previous work investigating morphological and synaptic effects of brain-derived neurotrophic factor (BDNF), the most prevalent growth factor in the central nervous system, how exposure to BDNF manifests at the network level remains unknown. Here we report that BDNF treatment affects rodent hippocampal network dynamics during development and recovery from glutamate-induced excitotoxicity in culture. Importantly, these effects are not obvious when traditional activity metrics are used, so we delve more deeply into network organization, functional analyses, and in silico simulations. We demonstrate that BDNF partially restores homeostasis by promoting recovery of weak and medium connections after injury. Imaging and computational analyses suggest these effects are caused by changes to inhibitory neurons and connections. From our in silico simulations, we find that BDNF remodels the network by indirectly strengthening weak excitatory synapses after injury. Ultimately, our findings may explain the difficulties encountered in preclinical and clinical trials with BDNF and also offer information for future trials to consider.
Dynamic behaviour of platinum and copper dopants in gold nanoclusters supported on ceria catalysts
Authors: Müller Nicole , Banu Rareş , Loxha Adea , Schrenk Florian , Lindenthal Lorenz , Rameshan Christoph , Pittenauer Ernst , Llorca Jordi , Timoshenko Janis , Marini Carlo , Barrabés Noelia
Published: December 2023

Understanding the behaviour of active catalyst sites at the atomic level is crucial for optimizing catalytic performance. Here, the evolution of Pt and Cu dopants in Au25 clusters on CeO2 supports is investigated in the water-gas shift (WGS) reaction, using operando XAFS and DRIFTS. Different behaviour is observed for the Cu and Pt dopants during the pretreatment and reaction. The Cu migrates and builds clusters on the support, whereas the Pt creates single-atom active sites on the surface of the cluster, leading to better performance. Doping with both metals induces strong interactions and pretreatment and reaction conditions lead to the growth of the Au clusters, thereby affecting their catalytic behaviour. This highlights importance of understanding the behaviour of atoms at different stages of catalyst evolution. These insights into the atomic dynamics at the different stages are crucial for the precise optimisation of catalysts, which ultimately enables improved catalytic performance.
On–off conduction photoswitching in modelled spiropyran-based metal-organic frameworks
Authors: Mostaghimi Mersad , Pacheco Hernandez Helmy , Jiang Yunzhe , Wenzel Wolfgang , Heinke Lars , Kozlowska Mariana
Published: December 2023

Materials with photoswitchable electronic properties and conductance values that can be reversibly changed over many orders of magnitude are highly desirable. Metal-organic framework (MOF) films functionalized with photoresponsive spiropyran molecules demonstrated the general possibility to switch the conduction by light with potentially large on-off-ratios. However, the fabrication of MOF materials in a trial-and-error approach is cumbersome and would benefit significantly from in silico molecular design. Based on the previous proof-of-principle investigation, here, we design photoswitchable MOFs which incorporate spiropyran photoswitches at controlled positions with defined intermolecular distances and orientations. Using multiscale modelling and automated workflow protocols, four MOF candidates are characterized and their potential for photoswitching the conductivity is explored. Using ab initio calculations of the electronic coupling between the molecules in the MOF, we show that lattice distances and vibrational flexibility tremendously modulate the possible conduction photoswitching between spiropyran- and merocyanine-based MOFs upon light absorption, resulting in average on-off ratios higher than 530 and 4200 for p- and n-conduction switching, respectively. Further functionalization of the photoswitches with electron-donating/-withdrawing groups is demonstrated to shift the energy levels of the frontier orbitals, permitting a guided design of new spiropyran-based photoswitches towards controlled modification between electron and hole conduction in a MOF.
Mortality Induced by Mixtures of Pesticides in Tadpoles from the Pampas Region of Argentina
Authors: Ruiz de Arcaute Celeste , Laborde Milagros , Soloneski Sonia
Published: December 2023

Habitat degradation is a hazard to global biodiversity. Specifically, amphibian populations have been declining for the last 30 years worldwide, a phenomenon that can be partially explained by the extension of agriculture and the high rate of pesticide application that modern agriculture requires. Moreover, pesticides are often applied in the form of mixtures, which interact with and affect non-target organisms in different ways, altering both their survival and/or fitness. The Pampas region of Argentina has not been exempted from this situation, and studies involving amphibians and mixtures of pesticides have increased in the last decades. Most of these studies have been performed in laboratory conditions employing the South American common frog Rhinella arenarum (Anura, Bufonidae), a ubiquitous toad of the region. As far as we know, only one work has been performed in field conditions evaluating mixtures of commonly employed pesticides in four species. Different interactions were detected among the mixture studies, with variations among the formulations employed, developmental stages of individuals exposed and time of exposure. These facts highlight the importance of extending the studies to the most commonly employed mixtures together with native fauna to minimize negative effects on the native biota.
The Direct-developing Frog Eleutherodactylus johnstonei: A Promising but Underused Amphibian Model for Ecological Risk Assessment
Authors: Leonardo Meza-Joya Fabio , Felipe Atuesta-Palomino Luis , Luis Fuentes Jorge
Published: December 2023

Although considered a globally declining vertebrate taxon, amphibians are often ignored and replaced in ecological risk assessments by surrogate species from other vertebrate groups with striking biological disparities (e.g., fish or birds and mammals for aquatic and terrestrial forms, respectively). This mismatched surrogacy may introduce strong biases in assessing environmental risk for amphibians. A great deal of variation in amphibian life history and morphology further challenges efforts to identify a candidate amphibian model species to represent the whole group in ecological risk assessment. Here we provide an overview of the relative sensitivity of the direct-developing frog Eleutherodactylus johnstonei to chemical and physical stressors in the context of amphibian risk assessment. To achieve this goal, this chapter is divided into three sections exploring the role of this species in ecotoxicology—pesticide toxicity, chemical cyto-genotoxicity, and ultraviolet radiation cyto-genotoxicity—based on existing and novel data. The outcome of this chapter reflects that E. johnstonei represents a promising yet underused model to be used at different screening levels in ecotoxicology. We hope the overview presented in this chapter will encourage other researchers to capitalize on the enormous potential of this species in ecological risk assessment.
Effects of External Contamination and Cosmetic Treatments on Hair Testing Can be Explained…Most of the Time!
Authors: Tsanaclis Lolita , Wicks John F. C.
Published: December 2023

External contamination of hair with drugs used to be regarded as one of the most questionable points in hair testing, and the risk of false positive as a result of external contamination could see a hair testing result dismissed. Measurements of both hair samples and corresponding wash residue can provide a more reliable indicator of the probability of hair being externally contaminated. The issue of external contamination is manageable in most cases, and it is rare that results cannot discriminate between use and external contamination, but test results will always need to be interpreted in the light of corroborating evidence from “clinical data” or “social context”. We also showed that the results from the analysis of dreadlocked hair samples are useful to provide information on whether the individual has used any substances over an unspecified period. Our data also shows that drug levels are still, in the majority of cases, detected in the hair of regular users even after strong chemical cosmetic hair treatments, although it is always wise to be alert to the possibility of a false negative.
Recent Trends in Forensic and Clinical Applications of Hair Analysis
Authors: Larabi Islam Amine , Alvarez Jean-Claude
Published: December 2023

Hair analysis is a valuable tool for assessing drug exposure in forensic and clinical settings, offering an extended detection window for establishing long-term substance use patterns. It provides temporal resolution and enhances diagnostic capabilities, illuminating an individual’s drug history. Hair incorporates compounds from multiple routes, remaining stable and detectable for varying durations. The non-invasive nature of hair sampling makes it straightforward, requiring no extensive medical training. Hair analysis also differentiates between heavy, moderate, and light drug users by examining drug distribution and concentration along the hair shaft. However, interpreting hair test results is challenging due to various incorporation pathways and potential contamination sources. Inter-individual variability influenced by genetics, hair color, metabolic disorders, diet, and cosmetic use further complicates result interpretation. Understanding the intricacies of hair concentration results is vital. This chapter provides a summary of recent trends in the forensic and clinical applications of hair analysis, emphasizing its advantages and the complexities involved in result interpretation. By addressing these aspects, we aim to enhance understanding and utilization of hair analysis in diverse fields.
Reactions of Metal Complexes in Solution
Authors: Ishihara Koji , Inamo Masahiko
Published: December 2023

In this chapter, various aspects of the reactions of metal complexes in solution, such as solvation of metal ions, solvent exchange reactions, complex formation reactions with monodentate, bidentate, and polydentate ligands, and ligand substitution reactions are discussed, especially in terms of reaction mechanisms and methodology to elucidate the reaction mechanism.
Inorganic Biochemistry
Authors: Odani Akira
Published: December 2023

Inorganic biochemistry or bioinorganic chemistry is a new inorganic chemistry at the boundary of chemistry, which has begun in the 1980s. Inorganic biochemistry aims to elucidate problems in the life sciences from the viewpoint of inorganic chemistry. Solution chemistry is very important considering that biological activities take place in water, and it can contribute greatly to the elucidation of inorganic biochemistry. However, there are few examples of approaches from solution chemistry to bioinorganic chemistry. Here are some examples, including the author’s own.
Intramolecular aptamer switches
Authors: Shi Lu , Jin Yan , Liu Juewen
Published: December 2023

Intramolecular aptamer switches were engineered by adding a small number of nucleotides to an end of a few newly selected small molecule binding aptamers, offering insights into intramolecular aptamer switches.
Current methods for the detection of glypican-3
Authors: Xiao Xiangyan , Huang Qiyuan , Lin Xiaocong , Zahid Kashif Rafiq , Huang Xueran , Liu Tiancai , Zeng Tao
Published: December 2023

Lipid membrane structure of GPC3.
One-pot two-step radioiodination based on copper-mediated iododeboronation and azide–alkyne cycloaddition reaction
Authors: Kondo Yuto , Kimura Hiroyuki , Chisaka Ryota , Hattori Yasunao , Kawashima Hidekazu , Yasui Hiroyuki
Published: December 2023

Copper-mediated one-pot two-step radioiodination proceeds under mild conditions. Furthermore, this methodology operates with continuous incorporation of reagents into the reaction system and a single-step purification.
A benzoquinone–imidazole hybrid organic anolyte for aqueous redox flow batteries
Authors: Murata Tsuyoshi , Hamasaki Marina , Morita Yasushi
Published: December 2023

A benzoquinone derivative annelated with two imidazole rings was investigated as an organic anolyte of aqueous redox flow battery, and the anolyte showed an operating voltage of ∼1.1 V together with a high cycle stability.
Patterned growth of two-dimensional atomic layer semiconductors
Authors: Zhou Hao , Zhang Chiyu , Gao Anran , Shi Enzheng , Guo Yunfan
Published: December 2023

Road map for patterned growth of two-dimensional atomic-layer semiconductors.