bluuebunny/crossref_metadata_2025 huggingface dataset:
South African youth’s understanding of feelings, thoughts and behaviours: Implications for the development of CBT-based mental health interventions
Authors: Human Suzanne , Gericke Hermine , Loades Maria , Stallard Paul , Coetzee Bronwynè J.
Published: April 2022

Background:

Mental health problems are common in youth in low- and middle-income countries (LMICs), including South Africa. Preventative interventions, based on cognitive behaviour therapy (CBT), delivered in schools, have been found to alleviate symptoms of depression and anxiety in high income countries (HICs). However, less is known about whether youth in LMICs are able to engage with the core concepts of CBT.

Aims:

To explore how young people in the Western Cape, South Africa, understand key CBT concepts, such as feelings, thoughts and behaviours.

Method:

We interviewed 22 young people (10–15 years of age; mean age 11.6 years; SD = 1.0) recruited from two public primary schools in the Western Cape, South Africa. Interviews were audio-recorded, transcribed verbatim, translated from Afrikaans into English where necessary and analysed thematically using a deductive approach.

Results:

Young people described feelings as internal, private, and should only be shared with trusted others. They also described how feelings varied, depending on the situation. They found the concept of thoughts more challenging to describe. Youth were able to say what they do when they experience unpleasant feelings, and they linked their behaviours to their feelings and thoughts.

Conclusions:

In this cultural context, our qualitative investigation found evidence that young people were able to engage with abstract concepts including feelings and to some degree, thoughts. To ensure that CBT-based interventions are developmentally appropriate and accessible, psychoeducation may help youth distinguish between thoughts, feelings and behaviours, and a focus on identifying and naming feelings may be beneficial.
Validation of a Bayesian Diagnostic and Inferential Model for Evidence-Based Neuropsychological Practice
Authors: Goette William F. , Carlew Anne R. , Schaffert Jeff , Mokhtari Ben K. , Cullum C. Munro
Published: April 2022

Objective:

Evidence-based diagnostic methods have clinical and research applications in neuropsychology. A flexible Bayesian model was developed to yield diagnostic posttest probabilities from a single person’s neuropsychological score profile by utilizing sample descriptive statistics of the test battery across diagnostic populations of interest.

Methods:

Three studies examined the model’s performance. One simulation examined estimation accuracy of true z-scores. A diagnostic accuracy simulation utilized descriptive statistics from two popular neuropsychological tests, the Wechsler Adult Intelligence Scale–IV (WAIS-IV) and Repeatable Battery for the Assessment of Neuropsychological Status (RBANS). The final simulation examined posterior predictive accuracy of scores to those reported in the WAIS manual.

Results:

The model produced minimally biased z-score estimates (root mean square errors: .02–.18) with appropriate credible intervals (95% credible interval empirical coverage rates: .94–1.00). The model correctly classified 80.87% of simulated normal, mild cognitive impairment, and Alzheimer’s disease cases using a four subtest WAIS-IV and the RBANS compared to accuracies of 60.67–65.60% from alternative methods. The posterior predictions of raw scores closely aligned to percentile estimates published in the WAIS-IV manual.

Conclusion:

This model permits estimation of posttest probabilities for various combinations of neuropsychological tests across any number of clinical populations with the principal limitation being the accessibility of applicable reference samples. The model produced minimally biased estimates of true z-scores, high diagnostic classification rates, and accurate predictions of multiple reported percentiles while using only simple descriptive statistics from reference samples. Future nonsimulation research on clinical data is needed to fully explore the utility of such diagnostic prediction models.
Sectoral employment effects of state fiscal relief: evidence from the Great Recession
Authors: Bredemeier Christian , Juessen Falko , Winkler Roland
Published: April 2022

We document that the employment effects of financial aid to US states during the Great Recession were strongly unevenly distributed across sectors, the construction sector being the main beneficiary. State fiscal relief not only preserved a substantial number of jobs but it also fostered employment most strongly in the sectors hit hardest by the recession. Exploiting across-state differences, we conclude that the sectoral employment effects of state fiscal relief reflect the typical spending patterns of state and local governments, who usually spend large shares of their discretionary expenditures on construction.
Brown Carbon Fuel and Emission Source Attributions to Global Snow Darkening Effect
Authors: Brown Hunter , Wang Hailong , Flanner Mark , Liu Xiaohong , Singh Balwinder , Zhang Rudong , Yang Yang , Wu Mingxuan
Published: April 2022

Snow and ice albedo reduction due to deposition of absorbing particles (snow darkening effect [SDE]) warms the Earth system and is largely attributed to black carbon (BC) and dust. Absorbing organic aerosol (BrC) also contributes to SDE but has received less attention due to uncertainty and challenges in model representation. This work incorporates the SDE of absorbing organic aerosol (BrC) from biomass burning and biofuel sources into the Snow Ice and Aerosol Radiative (SNICAR) model within a variant of the Community Earth System Model. Additionally, 12 different emission regions of BrC and BC from biomass burning and biofuel sources are tagged to quantify the relative contribution to global and regional SDE. BrC global SDE (0.021–0.056 Wm−2 over land area and 0.0061–0.016 Wm−2 over global area) is larger than other model estimates, corresponding to 37%–98% of the SDE from BC. When compared to observations, BrC simulations have a range in median bias (−2.5% to +21%), with better agreement in the simulations that include BrC photochemical bleaching. The largest relative contributions to global BrC SDE are traced to Northern Asia (23%–31%), Southeast Asia (16%–21%), and South Africa (13%–17%). Transport from Southeast Asia contributes nearly half of the regional BrC SDE in Antarctica (0.084–0.3 Wm−2), which is the largest regional input to global BrC SDE. Lower latitude BrC SDE is correlated with snowmelt, in‐snow BrC concentrations, and snow cover fraction, while polar BrC SDE is correlated with surface insolation and snowmelt. This indicates the importance of in‐snow processes and snow feedbacks on modeled BrC SDE.
Higher Sea Surface Temperatures Could Lead to a Weaker Monsoon
Authors: Padma T.
Published: April 2022

Most climate models predict that the South Asian monsoon will strengthen with climate change, but new research indicates warmer ocean temperatures may lead to a drier phenomenon.
Corticolimbic DCC gene co-expression networks as predictors of impulsivity in children
Authors: Restrepo-Lozano Jose M. , Pokhvisneva Irina , Wang Zihan , Patel Sachin , Meaney Michael J. , Silveira Patricia P. , Flores Cecilia
Published: April 2022

Inhibitory control deficits are prevalent in multiple neuropsychiatric conditions. The communication- as well as the connectivity- between corticolimbic regions of the brain are fundamental for eliciting inhibitory control behaviors, but early markers of vulnerability to this behavioral trait are yet to be discovered. The gradual maturation of the prefrontal cortex (PFC), in particular of the mesocortical dopamine innervation, mirrors the protracted development of inhibitory control; both are present early in life, but reach full maturation by early adulthood. Evidence suggests the involvement of the Netrin-1/DCCsignaling pathway and its associated gene networks in corticolimbic development. Here we investigated whether an expression-based polygenic score (ePRS) based on corticolimbic-specificDCCgene co-expression networks associates with impulsivity-related phenotypes in community samples of children. We found that lower ePRS scores associate with higher measurements of impulsive choice in 6-year-old children tested in the Information Sampling Task and with impulsive action in 6- and 10-year-old children tested in the Stop Signal Task. We also found the ePRS to be a better overall predictor of impulsivity when compared to a conventional PRS score comparable in size to the ePRS (4515 SNPs in our discovery cohort) and derived from the latest GWAS for ADHD. We propose that the corticolimbicDCC-ePRS can serve as a novel type of marker for impulsivity-related phenotypes in children. By adopting a systems biology approach based on gene co-expression networks and genotype-gene expression (rather than genotype-disease) associations, these results further validate our methodology to construct polygenic scores linked to the overall biological function of tissue-specific gene networks.
Oncogenic RAS sensitizes cells to drug-induced replication stress via transcriptional silencing of P53
Authors: Segeren Hendrika A. , van Liere Elsbeth A. , Riemers Frank M. , de Bruin Alain , Westendorp Bart
Published: April 2022

Cancer cells often experience high basal levels of DNA replication stress (RS), for example due to hyperactivation of oncoproteins like MYC or RAS. Therefore, cancer cells are considered to be sensitive to drugs that exacerbate the level of RS or block the intra S-phase checkpoint. Consequently, RS-inducing drugs including ATR and CHK1 inhibitors are used or evaluated as anti-cancer therapies. However, drug resistance and lack of biomarkers predicting therapeutic efficacy limit efficient use. This raises the question what determines sensitivity of individual cancer cells to RS. Here, we report that oncogenic RAS does not only enhance the sensitivity to ATR/CHK1 inhibitors by directly causing RS. Instead, we observed that HRASG12V dampens the activation of the P53-dependent transcriptional response to drug-induced RS, which in turn confers sensitivity to RS. We demonstrate that inducible expression of HRASG12V sensitized cells to ATR and CHK1 inhibitors. Using RNA-sequencing of FACS-sorted cells we discovered that P53 signaling is the sole transcriptional response to RS. However, oncogenic RAS attenuates the transcription of P53 and TGF-β pathway components which consequently dampens P53 target gene expression. Accordingly, live cell imaging showed that HRASG12V exacerbates RS in S/G2-phase, which could be rescued by stabilization of P53. Thus, our results demonstrate that transcriptional control of P53 target genes is the prime determinant in the response to ATR/CHK1 inhibitors and show that hyperactivation of the MAPK pathway impedes this response. Our findings suggest that the level of oncogenic MAPK signaling could predict sensitivity to intra-S-phase checkpoint inhibition in cancers with intact P53.
PDGF-R inhibition induces glioblastoma cell differentiation via DUSP1/p38MAPK signalling
Authors: Lane Rosemary , Cilibrasi Chiara , Chen Jianing , Shah Kalpit , Messuti Eleonora , Mazarakis Nektarios K. , Stebbing Justin , Critchley Giles , Song Erwei , Simon Thomas , Giamas Georgios
Published: April 2022

Glioblastoma (GBM) is the most common and fatal primary brain tumour in adults. Considering that resistance to current therapies leads to limited response in patients, new therapeutic options are urgently needed. In recent years, differentiation therapy has been proposed as an alternative for GBM treatment, with the aim of bringing cancer cells into a post-mitotic/differentiated state, ultimately limiting tumour growth. As an integral component of cancer development and regulation of differentiation processes, kinases are potential targets of differentiation therapies. The present study describes how the screening of a panel of kinase inhibitors (KIs) identified PDGF-Rα/β inhibitor CP-673451 as a potential differentiation agent in GBM. We show that targeting PDGF-Rα/β with CP-673451 in vitro triggers outgrowth of neurite-like processes in GBM cell lines and GBM stem cells (GSCs), suggesting differentiation into neural-like cells, while reducing proliferation and invasion in 3D hyaluronic acid hydrogels. In addition, we report that treatment with CP-673451 improves the anti-tumour effects of temozolomide in vivo using a subcutaneous xenograft mouse model. RNA sequencing and follow-up proteomic analysis revealed that upregulation of phosphatase DUSP1 and consecutive downregulation of phosphorylated-p38MAPKcan underlie the pro-differentiation effect of CP-673451 on GBM cells. Overall, the present study identifies a potential novel therapeutic option that could benefit GBM patients in the future, through differentiation of residual GSCs post-surgery, with the aim to limit recurrence and improve quality of life.
Gene conversion: a non-Mendelian process integral to meiotic recombination
Authors: Lorenz Alexander , Mpaulo Samantha J.
Published: April 2022

Meiosis is undoubtedly the mechanism that underpins Mendelian genetics. Meiosis is a specialised, reductional cell division which generates haploid gametes (reproductive cells) carrying a single chromosome complement from diploid progenitor cells harbouring two chromosome sets. Through this process, the hereditary material is shuffled and distributed into haploid gametes such that upon fertilisation, when two haploid gametes fuse, diploidy is restored in the zygote. During meiosis the transient physical connection of two homologous chromosomes (one originally inherited from each parent) each consisting of two sister chromatids and their subsequent segregation into four meiotic products (gametes), is what enables genetic marker assortment forming the core of Mendelian laws. The initiating events of meiotic recombination are DNA double-strand breaks (DSBs) which need to be repaired in a certain way to enable the homologous chromosomes to find each other. This is achieved by DSB ends searching for homologous repair templates and invading them. Ultimately, the repair of meiotic DSBs by homologous recombination physically connects homologous chromosomes through crossovers. These physical connections provided by crossovers enable faithful chromosome segregation. That being said, the DSB repair mechanism integral to meiotic recombination also produces genetic transmission distortions which manifest as postmeiotic segregation events and gene conversions. These processes are non-reciprocal genetic exchanges and thus non-Mendelian.
Large-scale analysis of MicroRNA expression in motor neuron-like cells derived from human umbilical cord blood mesenchymal stem cells
Authors: Sanooghi Davood , Lotfi Abolfazl , Bagher Zohreh , Barati Shirin , Karimi Afzal , Faghihi Faezeh , Lotfi Erfan , Joghataei Mohammad Taghi
Published: April 2022

Motor neuron diseases such as spinal cord injuries and amyotrophic lateral sclerosis are known as the most common disorders worldwide. Using stem cells (e.g., human umbilical cord blood mesenchymal stem cells) is currently a potent medical approach for modulating the impact of neural damages and regeneration of spinal cord injuries. MicroRNAs (miRNA) are taken into account as principal regulators during differentiation. The miRNAs play a significant role in stem cell self-renewal and fate determination. There are few studies on how miRNAs regulate neural differentiation in stem cells. The purpose of this study is to explore miRNA profiles of CB-MSCs during differentiation into motor neuron-like cells. Human CB-MSCs were isolated and characterized using flow cytometry. Cell differentiation has been induced by combining retinoic acid (RA) and sonic hedgehog (Shh) in a two-step protocol for 14 days. Then, cell differentiation was confirmed by immunocytochemistry and flow cytometry. The miRNA was analyzed using Illumina/Solexa sequencing platform. In this regard, three libraries were prepared to investigate the effect of these two biological morphogens on the miRNA profile of the differentiating cells. These libraries were Control (non-treated CB-MSCs), Test 1 (RA + /Shh +), and Test 2 (RA-/Shh-). Quantitative RT-PCR was employed to verify miRNA expression. CB-MSCs were spindle-shaped in morphology, and they did not express hematopoietic markers. After differentiation, the cells expressed motor neuron markers (i.e., Islet-1, SMI-32, and ChAT) at the protein level after 14 days. The analysis of miRNA sequencing demonstrated a significant up-regulation of miR-9-5p and miR-324-5p in Test 1 (RA + /Shh +). Also, there is a considerable down-regulation of mir-137 and let-7b in Test 2 (RA-/Shh-). These results have been obtained by comparing them with the Control library. Indeed, they were responsible for neuron and motor neuron differentiation and suppression of proliferation in neural progenitor cells. Furthermore, significant up-regulation was detected in some novel microRNAs involved in cholinergic, JAK-STAT, and Hedgehog and MAPK signaling pathways. CB-MSCs are potent to express motor neuron markers. This procedure has been performed by developing a two-week protocol and employing Shh and RA. The miRNA profile analysis showed a significant up-regulation in the expression of some miRs involved in neuron differentiation and motor neuron maturation. MiR-9-5p and miR-324-5p were up-regulated at the early stage of differentiation. Also, miR-137 and miR-let-7b were downregulated in the absence of RA and Shh. Furthermore, several novel miRNAs involved in cholinergic, Hedgehog, MAPK, and JAK-STAT signaling pathways have been detected. However, further studies are still necessary to validate their functions during motor neuron generation and maturation.
Biosorption of metribuzin pesticide by Cucumber (Cucumis sativus) peels-zinc oxide nanoparticles composite
Authors: Haq Atta ul , Saeed Muhammad , Muneer Majid , Jamal Muhammad Asghar , Maqbool Tahir , Tahir Tayyab
Published: April 2022

Herein, a biosorbent was prepared from cucumber peels modified with ZnO nanoparticles (CPZiONp-composite) for the biosorption of metribuzin. Characterization of the composite was accomplished using FTIR, SEM, EDX, surface area pore size analyzer and pH of point of zero charge (pHpzc). Biosorption study was executed in batch concerning the impact of pH, composite dose, contact time, initial metribuzin concentration and temperature. The biosorption depends on pH and maximum biosorption was acquired at pH 3.0. Surface chemistry of the composite was studied by determining the pHpzc and was found to be 6.1. The biosorption nature was investigated using isotherms and was assessed that Freundlich isotherm is well suited for the fitting of the biosorption data owing to the highest R2. The maximum biosorption capacity of CPZiONp-composite was found to be 200 mg g-1. The biosorption data were fitted in to different kinetic models and the outcomes suggesting that pseudo second order is a satisfactory model to interpret the biosorption data owing to the highest R2. Thermodynamic parameters for instance entropy, enthalpy and Gibbs free energy were computed and revealed that biosorption of metribuzin onto CPZiONp-composite is spontaneous and exothermic process.
mRNA–miRNA bipartite networks reconstruction in different tissues of bladder cancer based on gene co-expression network analysis
Authors: Abedi Zahra , MotieGhader Habib , Hosseini Sahar Sadat , Sheikh Beig Goharrizi Mohammad Ali , Masoudi-Nejad Ali
Published: April 2022

Bladder cancer (BC) is one of the most important cancers worldwide, and if it is diagnosed early, its progression in humans can be prevented and long-term survival will be achieved accordingly. This study aimed to identify novel micro-RNA (miRNA) and gene-based biomarkers for diagnosing BC. The microarray dataset of BC tissues (GSE13507) listed in the GEO database was analyzed for this purpose. The gene expression data from three BC tissues including 165 primary bladder cancer (PBC), 58 normal looking-bladder mucosae surrounding cancer (NBMSC), and 23 recurrent non-muscle invasive tumor tissues (RNIT) were used to reconstruct gene co-expression networks. After preprocessing and normalization, deferentially expressed genes (DEGs) were obtained and used to construct the weighted gene co-expression network (WGCNA). Gene co-expression modules and low-preserved modules were extracted among BC tissues using network clustering. Next, the experimentally validated mRNA-miRNA interaction information were used to reconstruct three mRNA-miRNA bipartite networks. Reactome pathway database and Gene ontology (GO) was subsequently performed for the extracted genes of three bipartite networks and miRNAs, respectively. To further analyze the data, ten hub miRNAs (miRNAs with the highest degree) were selected in each bipartite network to reconstruct three bipartite subnetworks. Finally, the obtained biomarkers were comprehensively investigated and discussed in authentic studies. The obtained results from our study indicated a group of genes including PPARD, CST4, CSNK1E, PTPN14, ETV6, and ADRM1 as well as novel miRNAs (e.g., miR-16-5p, miR-335-5p, miR-124-3p, and let-7b-5p) which might be potentially associated with BC and could be a potential biomarker. Afterward, three drug-gene interaction networks were reconstructed to explore candidate drugs for the treatment of BC. The hub miRNAs in the mRNA-miRNA bipartite network played a fundamental role in BC progression; however, these findings need further investigation.
Identifying prognostic factors for clinical outcomes and costs in four high-volume surgical treatments using routinely collected hospital data
Authors: Salet N. , Stangenberger V. A. , Eijkenaar F. , Schut F. T. , Schut M. C. , Bremmer R. H. , Abu-Hanna A.
Published: April 2022

Identifying prognostic factors (PFs) is often costly and labor-intensive. Routinely collected hospital data provide opportunities to identify clinically relevant PFs and construct accurate prognostic models without additional data-collection costs. This multicenter (66 hospitals) study reports on associations various patient-level variables have with outcomes and costs. Outcomes were in-hospital mortality, intensive care unit (ICU) admission, length of stay, 30-day readmission, 30-day reintervention and in-hospital costs. Candidate PFs were age, sex, Elixhauser Comorbidity Score, prior hospitalizations, prior days spent in hospital, and socio-economic status. Included patients dealt with either colorectal carcinoma (CRC, n = 10,254), urinary bladder carcinoma (UBC, n = 17,385), acute percutaneous coronary intervention (aPCI, n = 25,818), or total knee arthroplasty (TKA, n = 39,214). Prior hospitalization significantly increased readmission risk in all treatments (OR between 2.15 and 25.50), whereas prior days spent in hospital decreased this risk (OR between 0.55 and 0.95). In CRC patients, women had lower risk of in-hospital mortality (OR 0.64), ICU admittance (OR 0.68) and 30-day reintervention (OR 0.70). Prior hospitalization was the strongest PF for higher costs across all treatments (31–64% costs increase/hospitalization). Prognostic model performance (c-statistic) ranged 0.67–0.92, with Brier scores below 0.08. R-squared ranged from 0.06–0.19 for LoS and 0.19–0.38 for costs. Identified PFs should be considered as building blocks for treatment-specific prognostic models and information for monitoring patients after surgery. Researchers and clinicians might benefit from gaining a better insight into the drivers behind (costs) prognosis.
Ultrasound localization microscopy and functional ultrasound imaging reveal atypical features of the trigeminal ganglion vasculature
Authors: Réaux-Le-Goazigo Annabelle , Beliard Benoit , Delay Lauriane , Rahal Line , Claron Julien , Renaudin Noémi , Rivals Isabelle , Thibaut Miguel , Nouhoum Mohamed , Deffieux Thomas , Tanter Mickael , Pezet Sophie
Published: April 2022

The functional imaging within the trigeminal ganglion (TG) is highly challenging due to its small size and deep localization. This study combined a methodological framework able to dive into the rat trigeminal nociceptive system by jointly providing 1) imaging of the TG blood vasculature at microscopic resolution, and 2) the measurement of hemodynamic responses evoked by orofacial stimulations in anesthetized rats. Despite the small number of sensory neurons within the TG, functional ultrasound imaging was able to image and quantify a strong and highly localized hemodynamic response in the ipsilateral TG, evoked not only by mechanical or chemical stimulations of corneal nociceptive fibers, but also by cutaneous mechanical stimulations of the ophthalmic and maxillary orofacial regions using a von Frey hair. The in vivo quantitative imaging of the TG’s vasculature using ultrasound localization microscopy combined with in toto labelling reveals particular features of the vascularization of the area containing the sensory neurons, that are likely the origin of this strong vaso-trigeminal response. This innovative imaging approach opens the path for future studies on the mechanisms underlying changes in trigeminal local blood flow and evoked hemodynamic responses, key mechanisms for the understanding and treatment of debilitating trigeminal pain conditions.
NP monolayer supported transition-metal single atoms for electrochemical water splitting: a theoretical study
Authors: Wang Yanwei , Tian Wu , Wan Jin , Xiong Gangquan , Zhang Huijuan , Wang Yu
Published: April 2022

Theoretical screening of transition-metal single atoms supported on a NP monolayer as highly stable and catalytically active single-atom catalysts for the HER and the OER.
First-principles calculations of bulk, surface and interfacial phases and properties of silicon graphite composites as anode materials for lithium ion batteries
Authors: Olou’ou Guifo Stéphane B. , Mueller Jonathan E. , Henriques David , Markus Torsten
Published: April 2022

Lithium stabilizes silicon–graphite interfaces, making hollow core–shell structures favorable in the presence of lithium and yolk–shell configurations favorable in its absence.
Lab on a chip devices for fertility: from proof-of-concept to clinical impact
Authors: Nosrati Reza
Published: April 2022

This perspective provides an overview of microfluidics for fertility efforts with a particular focus on clinical applications and commercialization.
Self-diffusion of spherocylindrical particles flowing under non-uniform shear rate
Authors: Hernández-Delfin D. , Weinhart T. , Hidalgo R. C.
Published: April 2022

This work is devoted to study numerically the self-diffusion of spherocylindrical particles flowing down an inclined plane, using the discrete element method (DEM).
Post-synthetic ligand cyclization in metal–organic frameworks through functional group connection with regioisomerism
Authors: Kim Dasom , Yoo Haneul , Kim Kyunghwan , Kim Dongwook , Kim Ki Tae , Kim Cheoljae , Kim Jin Yeong , Moon Hoi Ri , Kim Min
Published: April 2022

Novel post-synthetic ligand cyclization (PSLC) strategy for metal–organic frameworks (MOFs) bearing regioisomeric functional groups has been developed to install benzo-fused heterocycles in MOFs.
Stereospecific reaction of sulfonimidoyl fluorides with Grignard reagents for the synthesis of enantioenriched sulfoximines
Authors: Greed Stephanie , Symes Oliver , Bull James A.
Published: April 2022

Highly enantioenriched sulfoximines can be prepared from sulfonimidoyl fluorides in a stereospecific reaction with a broad range of Grignard reagents.
Stabilizing nonnative polymorphs at the nanoscale as surface energy is inversely correlated to bulk energies
Authors: Bhandari Arihant , Gupta Prashant Kumar , Bhattacharya Jishnu , Pala Raj Ganesh S.
Published: April 2022

Polymorphs with higher bulk energy have lower surface energy, which leads to their stabilization and preferential synthesis at smaller length scales.
Ab initio molecular dynamics study on the disordered Li–Ga–Sn system
Authors: Ding An , Han Bo , Zhang Shiwei , Huang Qi , Wang Jianchuan , Wei Chengyang , Du Yong , Seifert Hans J.
Published: April 2022

AIMD simulations are performed to understand the structural, thermodynamic and thermophysical properties of disordered Li–Ga–Sn alloys formed in the initial stage of lithiation of liquid Ga91.6Sn8.4.
Trapping Ca+ inside a molecular cavity: computational study of the potential energy surfaces for Ca+-[n]cycloparaphenylene, n = 5–12
Authors: Allen Cole D. , Rempe Susan L. B. , Zwier Timothy S. , Ren Pengyu
Published: April 2022

Ion trap quantum computing utilizes electronic states of atomic ions such as Ca+ to encode information on to a qubit.
The relative humidity-dependent viscosity of single quasi aerosol particles and possible implications for atmospheric aerosol chemistry
Authors: Tong Yu-Kai , Liu Yaoyao , Meng Xiangxinyue , Wang Jie , Zhao Dongping , Wu Zhijun , Ye Anpei
Published: April 2022

Viscosity is a fundamental physicochemical property of aerosol particles that influences chemical evolution, mass transfer rates, particle formation,etc.and also changes with ambient relative humidity (RH).
Selective photo-excitation of molecules enabled by stimulated Raman pre-excitation
Authors: Wang Yisen , Laforge Francois , Goun Alexei , Rabitz Herschel
Published: April 2022

Double resonance excitation, where the energies of vibrational and electronic molecular transitions are combined in a single, sequential excitation process, enables selective photo-excitation of molecules.
Correction: Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin state
Authors: Shahid Namrah , Burrows Kay E. , Pask Christopher M. , Cespedes Oscar , Howard Mark J. , McGowan Patrick C. , Halcrow Malcolm A.
Published: April 2022

Correction for ‘Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin state’ by Namrah Shahid et al., Dalton Trans., 2022, 51, 4262–4274, DOI: 10.1039/d2dt00393g.
Biomass-derived aldehyde tanning agents with in situ dyeing properties: a ‘Two Birds with One Stone’ strategy for engineering chrome-free and dye-free colored leather
Authors: Ding Wei , Remón Javier , Jiang Zhicheng
Published: April 2022

Biomass-derived aldehyde tanning agents with in situ dyeing properties (BAT-iDP) showed excellent tanning-dyeing performance enabled by multipoint cross-linked/conjugated Schiff-base structures.
Live single cell imaging assays in glass microwells produced by laser-induced deep etching
Authors: Sandström Niklas , Brandt Ludwig , Sandoz Patrick A. , Zambarda Chiara , Guldevall Karolin , Schulz-Ruhtenberg Malte , Rösener Bernd , Krüger Robin A. , Önfelt Björn
Published: April 2022

In this work, we have used laser-induced deep etching of glass to produce unique designs of high-aspect ratio microwells and evaluated them in several different live single cell imaging assays.
Thermal transport in twinning superlattice and mixed-phase GaAs nanowires
Authors: Ghukasyan Ara , LaPierre Ray
Published: April 2022

The thermal conductivity of twinning GaAs nanowires varies non-monotonically with the twin period. A minimum thermal conductivity is obtained when the twin period is approximately 50 Å, regardless of nanowire diameter.
Correction: Bakuchiol – a natural meroterpenoid: structure, isolation, synthesis and functionalization approaches
Authors: Krishna T. P. Adarsh , Edachery Baldev , Athalathil Sunil
Published: April 2022

Correction for ‘Bakuchiol – a natural meroterpenoid: structure, isolation, synthesis and functionalization approaches’ by T. P. Adarsh Krishna et al., RSC Adv., 2022, 12, 8815–8832, DOI: 10.1039/D1RA08771A.
Further investigation of convolutional neural networks applied in computational electromagnetism under physics‐informed consideration
Authors: Gong Ruohan , Tang Zuqi
Published: April 2022

Convolutional neural networks (CNN) have shown great potentials and have been proven to be an effective tool for some image‐based deep learning tasks in the field of computational electromagnetism (CEM). In this work, an energy‐based physics‐informed neural network (EPINN) is proposed for low‐frequency electromagnetic computation. Two different physics‐informed loss functions are designed. To help the network focus on the region of interest instead of computing the whole domain on average, the magnetic energy norm error loss function is proposed. Besides, the methodology of energy minimization is integrated into the CNN by introducing the magnetic energy error loss function. It is observed that the introduction of the physics‐informed loss functions improved the accuracy of the network with the same architecture and database. Meanwhile, these changes also cause the network to be more sensitive to some hyperparameters and makes the training process oscillate or even diverge. To address this issue, the sensitivity of the network hyperparameters for both physics‐informed loss functions are further investigated. Numerical experiments demonstrate that the proposed approaches have good accuracy and efficiency with fine‐tuned hyperparameters. Furthermore, the post‐test illustrates that the EPINN has excellent interpolation performance and can obtain good extrapolation results under certain restrictions.
Design of microstrip quint‐band lowpass–bandpass filters with flexible passband allocation
Authors: Wu Chia‐Lian , Tu Wen‐Hua
Published: April 2022

In this paper, newly proposed microstrip quint‐band lowpass–bandpass filters are presented. The lowpass filter structure comprises a meandered transmission line and modified T‐shaped resonators. Based on such an lowpass filter (LPF) structure, a quad‐band λ/4 inductively‐coupled dual‐mode stub‐loaded stepped impedance resonators BPF with one pair of a coupled I/O feeding line are parallelled on both sides of LPF to construct a quint‐band lowpass–bandpass filter. By incorporating the parallel I/O coupled line and utilising multiple coupling paths, four bandpass bands can be fully controlled and designed independently. Specially, two distinct types of bandpass filters with different generating mechanisms are investigated and then combined to provide the quad‐band responses. To validate the design concept, two types of quint‐band lowpass–bandpass filters are designed, fabricated, and tested, where simulation results agree well with measurement results.
A deep learning algorithm for joint direct tracking and classification of manoeuvring sources
Authors: Yu Wanting , Yu Hongyi , Du Jianping , Zhang Mengli , Wang Ding
Published: April 2022

The remarkable success of deep learning technologies has provided new ideas for solving complex tracking problems. It is difficult for traditional algorithms to directly estimate the trajectory vector and target class from the received signal due to the limitation of modelling ability, which causes inevitable information loss. Moreover, existing algorithms suffer severe performance degradation when dealing with problems that are difficult to mathematically model in advance, such as highly nonlinear observations and manoeuvring scenarios. To address these issues, we propose a deep learning algorithm for joint direct tracking and classification (DeepDTC), which is a novel direct tracking framework. Specifically, we construct a convolutional neural network (CNN)‐based signal processing component to capture observation features, and a Transformer‐based trajectory tracking component to capture the features of target state and identity. Meanwhile, in signal processing component, we design an attribute network to learn auxiliary knowledge features. Finally, we construct a multi‐task learning network to connect these components and estimate trajectory vectors and target classes simultaneously. Our algorithm takes the transformer with attention mechanism as the core network, which is highly scalable and suitable for introducing various auxiliary knowledge. The comparison experiments with traditional methods demonstrate the effectiveness and advancement of the proposed algorithm. The comparative experiments with the single‐task model show that DeepDTC can further improve the tracking accuracy by utilising the learnt classification information.
Design optimisation of low earth orbit constellation based on BeiDou Satellite Navigation System precise point positioning
Authors: Liu Jing , Hao Jinming , Yang Yan , Xu Zheyu , Liu Weiping , Wu Renzhe
Published: April 2022

The use of low earth orbit (LEO) satellites to enhance the performance of global navigation satellite system navigation and positioning services has become a popular research topic. In this study, NSGA‐III optimisation algorithm was used to design two hybrid configurations of 177 and 186 LEO constellations for enhancing the BeiDou Satellite Navigation System (BDS). Under the enhanced effect of optimisation constellation, the global average geometric dilution of precision (GDOP) of BDS was reduced to 0.8 ± 0.1, and the maximum GDOP was reduced from 2.4 to less than 1.1 (54.2% reduction). In order to verify the contribution of the two constellations to the convergence time and positioning accuracy of BDS precise point positioning (PPP), a LEO enhanced BDS PPP simulation experiment was carried out using International GNSS Service data from five stations. The results show that after 10 min of static positioning, both LEO constellations improved the positioning accuracy of BDS from the decimetre level to less than 5 cm. The maximum improvement for 177 and 186 LEO was 95.0% and 96.9%, respectively. Additionally, the convergence time for 177 and 186 LEO reduced to less than 3.5 and 3 min, and the maximum improvement was 93.5% and 95.2%, respectively. Overall, both constellations can improve the positioning accuracy and convergence time of BDS PPP.
Suizidversuch mit Zyanidverbindung – Gefahr für alle Einsatzkräfte!
Authors: Scheltz Claudia , Rudolph Sören , Piel Ines , Koch Matthias , Radischat Christian , Skorupa Frank
Published: April 2022

Zyanidvergiftungen in suizidaler Absicht sind sehr selten, da ein gewisses chemisches Grundwissen und der Zugang zu den erforderlichen Substanzen notwendig sind.

Gerade deswegen können Unsicherheiten im Umgang und Unkenntnis des Gefahrstoffes zu falscher Behandlung und falschem Vorgehen am Notfallort führen.

Einfache Einsatzstichworte (ohne Kenntnis der Chemikalie) wie „Suizid“, „Suizidandrohung“ oder „Chemikalien“ helfen in der gedanklichen Vorbereitung auf den Einsatz, auf der Fahrt
zum Einsatzort oder bei der Überlegung zu Schutzkleidung und/oder Antidoten nicht weiter.
Juvenile Dermatomyositis
Authors: Hinze Claas , Dressler Frank , Schara-Schmidt Ulrike , Haas Johannes-Peter
Published: April 2022

Die juvenile Dermatomyositis (JDM) ist die häufigste chronische
entzündliche Myopathie des Kindesalters. In dieser Übersicht
soll der aktuelle Kenntnisstand hinsichtlich der Diagnostik, Behandlung und
Überwachung der JDM dargestellt werden. So liegen häufig
myositis-spezifische Antikörper vor, die mit klinischen
Phänotypen und dem Verlauf der Erkrankung korrelieren. Typ I Interferone
spielen eine wichtige Rolle in der Pathogenese der Erkrankung.
Möglicherweise kann diese Beobachtung in der Zukunft zu gezielten
Therapien führen. Da langfristig schwerwiegende Komplikationen, wie
z. B. Kalzinosen oder Lipodystrophie, drohen, besonders bei auf Dauer
unzureichend kontrollierter Erkrankung, ist eine möglichst rasche und
effektive Behandlung anzustreben. Zu diesem Zweck sollte eine intensive
Remissionsinduktionstherapie, gefolgt von einer zielgerichteten Therapie
angestrebt werden. Verschiedene validierte Messinstrumente stehen zur
Verfügung, um den Verlauf der Erkrankung zu beurteilen. Die
Pro-KIND-Initiative der Gesellschaft für Kinder- und Jugendrheumatologie
hat Praxis- und Konsens-basiert in Deutschland sowohl eine diagnostische als
auch eine Treat-to-Target-Behandlungsstrategie entwickelt. Im Rahmen nationaler
und internationaler Kollaborationen soll sich die Behandlung der JDM in der
Zukunft weiter verbessern.
An Anatomic Assessment of the Intercavernous Sinuses and Review of the Literature
Authors: Kosty Jennifer , Peterson Racheal , Miriyala Sumitra , Banks Timothy , Kandregula Sandeep , Dossani Rimal , Guthikonda Bharat
Published: April 2022

Introduction As expanded endoscopic endonasal approaches are gaining popularity, a thorough understanding of the anatomy of the intercavernous sinuses is pertinent to avoid bleeding complications. There have been few studies reporting the presence and dimensions of the anterior intercavernous sinus (AIS), posterior intercavernous sinus (PIS), and inferior intercavernous sinus (IIS). We performed a cadaveric study to better understand these structures.

Methods Colored latex was injected into the arterial and venous trees of 17 cadaveric heads. Dissections assessed the presence and dimensions of the AIS, PIS, and IIS. In an additional three specimens, the sellar contents were subjected to histological analysis.

Results Of the 20 total specimens, 13 (65%) demonstrated the gross presence of all three sinuses. In six specimens (30%), only the AIS and PIS could be identified, and in one specimen, only an AIS and IIS were identified. An AIS was identified in all 20 (100%) specimens, PIS in 18 (88%), and an IIS in 14 (70%). In two specimens (10%), the AIS covered the entire face of the sella. Dimensions of the AIS averaged 1.7 × 11.7 × 2.8 mm, PIS averaged 1.5 × 10.8 × 1.7 mm, and IIS averaged 8.7 × 11.8 × 1.0 mm when present.

Conclusion All examined specimens demonstrated the presence of an AIS, and most had a PIS. The presence of an IIS was more variable. Preoperative awareness of these sinuses is helpful in planning transsphenoidal surgery to minimize the risk of bleeding.
Effect of Maternal Subclinical Hypothyroidism on Congenital Hypothyroidism Screening Results: A Retrospective Cohort Study
Authors: Korkut Sabriye , Çaylan Nilgün , Özgü-Erdinç Ayse S. , Akın Mustafa Ş. , Ceyhan Meryem , Kara Fatih , Tezel Başak , Oğuz Şerife S.
Published: April 2022

Objectives This study aimed to evaluate the results of congenital hypothyroidism screening (CHS) in neonates born to women with subclinical hypothyroidism (SHT) during pregnancy and to identify maternal and neonatal characteristics associated with recall rate in CHS.

Study Design This retrospective cohort study included nonrefugee pregnant women and newborn pairs who underwent thyroid function tests during prenatal follow-up between 2014 and 2017 and had neonatal CHS records. The women were evaluated overall and divided into euthyroidism (ET) and SHT groups according to their thyroid function tests. The groups were compared in terms of CHS results. Neonates with thyroid-stimulating hormone (TSH) levels <5.5 mIU/L were considered “normal,” while those with values ≥5.5 mIU/L were “recall.”

Results The antenatal thyroid function data of a total of 22,383 pregnant women were analyzed. Of these, 71.6% were ET and 16.3% were diagnosed as SHT. Overall, the recall rate accounted for 5.34% of all CHS results and the recall rate was higher in the SHT group (7.10%) compared with the ET group (5.54%; p = 0.001). Being low birth weight (LBW) or large for gestation age (LGA), maternal TSH above the 97.5th percentile, and cesarean delivery increased the risk of recall in CHS (p ˂ 0.05).

Conclusion The recall rate was higher among the neonates of mothers with SHT. Being LBW or LGA, maternal TSH above the 97.5th percentile and cesarean delivery increased the risk of recall in CHS.

Key Points
COVID-19 and Diabetic Nephropathy
Authors: Maremonti Francesca , Locke Sophie , Tonnus Wulf , Beer Kristina , Brucker Anne , Gonzalez Nadia Zamora , Latk Marcus , Belavgeni Alexia , Hoppenz Paul , Hugo Christian , Linkermann Andreas
Published: April 2022

Diabetic nephropathy is the most common condition that requires a chronic renal
replacement therapy, such as hemodialysis, peritoneal dialysis, kidney
transplantation, or simultaneous kidney-pancreas transplantation. Chronic kidney
disease progression, that is the loss of nephrons, which causes the continuous
decline of the eGFR, underlies the pathogenesis of diabetic nephropathy. During
the COVID-19 pandemic, it became clear that diabetic nephropathy is amongst the
independent risk factors that predicts unfavourable outcome upon SARS-CoV2
infection. While we still lack conclusive mechanistic insights into how nephrons
are rapidly lost upon SARS-CoV2 infection and why patients with diabetic
nephropathy are more susceptible to severe outcomes upon SARS-CoV2 infection,
here, we discuss several aspects of the interface of COVID-19 with diabetic
nephropathy. We identify the shortage of reliable rodent models of diabetic
nephropathy, limited treatment options for human diabetic nephropathy and the
lack of knowledge about virus-induced signalling pathways of regulated necrosis,
such as necroptosis, as key factors that explain our failure to understand this
system. Finally, we focus on immunosuppressed patients and discuss vaccination
efficacy in these and diabetic patients. We conclude that more basic science and
mechanistic understanding will be required both in diabetic nephropathy as well
as in host immune responses to the SARS-CoV2 virus if novel therapeutic
strategies are desired.
Copper-Catalyzed Direct C(sp2)–H Sulfuration of Aryl Alkenes by Using Tetraalkylthiuram Disulfides for the Synthesis of Alkenyl Dithiocarbamates
Authors: Zhang Zhipeng , Jiao Jing
Published: April 2022

Copper-catalyzed direct C(sp2)–H sulfuration of aryl alkenes by using tetraalkylthiuram disulfides as sulfuration reagents has been developed. The reaction provides an efficient method for the synthesis of a variety of alkenyl dithiocarbamates, which are important structure motifs widely applied in materials, pharmaceuticals, and agrochemicals.
An Efficient One-Pot Synthesis of 5-Sulfanyl-1-[2-(vinyloxy)ethyl]-1H-pyrrol-2-amines as Precursors of 1-Vinylpyrroles
Authors: Nedolya Nina A. , Trofimov Boris A. , Tarasova Olga A. , Albanov Alexander I.
Published: April 2022

Sequential processing of monolithiated tertiary propargylamines with 2-(vinyloxy)ethyl isothiocyanate and t-BuOK–DMSO results in the introduction of a highly reactive 2-(vinyloxy)ethyl group at the position 1 of the pyrrole ring thus formed. In this way, a series of new 5-sulfanyl-1-[2-(vinyloxy)ethyl]-1H-pyrrol-2-amines were obtained in a yield of up to 92%. The latter in the presence of t-BuOK–DMSO system (110–120 °C, 10–15 min) eliminates vinyl alcohol to give rare-functionalized 1-vinylpyrroles, namely 5-sulfanyl-1-vinyl-1H-pyrrol-2-amines, inaccessible by the known methods.
Dichlorination of β-Keto Esters and 1,3-Diketones Mediated by Oxone/Aluminum Trichloride Mixture in Aqueous Medium
Authors: Smonou Ioulia , Giannopoulos Vasileios , Katsoulakis Nikolaos
Published: April 2022

A new method for the α,α-dichlorination of β-keto esters using Oxone/aluminum trichloride mixture in aqueous medium has been developed. This useful process has also been applied successfully for the dichlorination of 1,3-diketones. The dichlorinated compounds have been produced in one step, high yields, and short reaction times.