bluuebunny/crossref_metadata_2025 huggingface dataset:
Pre- and postsynaptic signatures in the prelimbic cortex associated with “alcohol use disorder” in the rat
Authors: Domi Ana , Cadeddu Davide , Lucente Erika , Gobbo Francesco , Edvardsson Christian , Petrella Michele , Jerlhag Elisabet , Ericson Mia , Söderpalm Bo , Adermark Louise
Published: May 2024

The transition to alcohol use disorder (AUD) involves persistent neuroadaptations in executive control functions primarily regulated by the medial prefrontal cortex. However, the neurophysiological correlates to behavioral manifestations of AUD are not fully defined. The association between cortical neuroadaptations and behavioral manifestations of addiction was studied using a multi-symptomatic operant model based on the DSM-5 diagnostic criteria for AUD. This model aimed to characterize an AUD-vulnerable and AUD-resistant subpopulation of outbred male Wistar rats and was combined with electrophysiological measurements in the prelimbic cortex (PL). Mirroring clinical observations, rats exhibited individual variability in their vulnerability to develop AUD-like behavior, including motivation to seek for alcohol (crit 1), increased effort to obtain the substance (crit 2), and continued drinking despite negative consequences (crit 3). Only a small subset of rats met all the aforementioned AUD criteria (3 crit, AUD-vulnerable), while a larger fraction was considered AUD-resilient (0 crit). The development of AUD-like behavior was characterized by disruptions in glutamatergic synaptic activity, involving decreased frequency of spontaneous excitatory postsynaptic currents (sEPSCs) and heightened intrinsic excitability in layers 2/3 PL pyramidal neurons. These alterations were concomitant with a significant impairment in the ability of mGlu2/3 receptors to negatively regulate glutamate release in the PL but not in downstream regions like the basolateral amygdala or nucleus accumbens core. In conclusion alterations in PL synaptic activity were strongly associated with individual addiction scores, indicating their role as potential markers of the behavioral manifestations linked to AUD psychopathology.
NF1 with 47,XYY mosaicism diagnosed by mandibular neurofibromas
Authors: Tonouchi Erina , Morita Kei-ichi , Harazono Yosuke , Hoshino Kyoko , Yoda Tetsuya
Published: May 2024

Neurofibromatosis type 1 (NF1) is an autosomal dominant nevus disease characterized by multiple manifestations, primarily café-au-lait macules and neurofibromas. Here, we present the case of an NF1 patient with 47,XYY mosaicism whose diagnosis was prompted by café-au-lait macules on the skin and mandibular neurofibromas. Targeted next-generation sequencing of the patient’s blood sample revealed a novel frameshift mutation in NF1 (NM_000267.3:c.6832dupA:p.Thr2278Asnfs*8) that is considered a pathogenic variant.
1q amplification and PHF19 expressing high-risk cells are associated with relapsed/refractory multiple myeloma
Authors: Johnson Travis S. , Sudha Parvathi , Liu Enze , Becker Nathan , Robertson Sylvia , Blaney Patrick , Morgan Gareth , Chopra Vivek S. , Dos Santos Cedric , Nixon Michael , Huang Kun , Suvannasankha Attaya , Zaid Mohammad Abu , Abonour Rafat , Walker Brian A.
Published: May 2024

Multiple Myeloma is an incurable plasma cell malignancy with a poor survival rate that is usually treated with immunomodulatory drugs (iMiDs) and proteosome inhibitors (PIs). The malignant plasma cells quickly become resistant to these agents causing relapse and uncontrolled growth of resistant clones. From whole genome sequencing (WGS) and RNA sequencing (RNA-seq) studies, different high-risk translocation, copy number, mutational, and transcriptional markers can be identified. One of these markers, PHF19, epigenetically regulates cell cycle and other processes and is already studied using RNA-seq. In this study, we generate a large (325,025 cells and 49 patients) single cell multi-omic dataset and jointly quantify ATAC- and RNA-seq for each cell and matched genomic profiles for each patient. We identify an association between one plasma cell subtype with myeloma progression that we call relapsed/refractory plasma cells (RRPCs). These cells are associated with chromosome 1q alterations, TP53 mutations, and higher expression of PHF19. We also identify downstream regulation of cell cycle inhibitors in these cells, possible regulation by the transcription factor (TF) PBX1 on chromosome 1q, and determine that PHF19 may be acting primarily through this subset of cells.
Importance of social inequalities to contact patterns, vaccine uptake, and epidemic dynamics
Authors: Manna Adriana , Koltai Júlia , Karsai Márton
Published: May 2024

Individuals’ socio-demographic and economic characteristics crucially shape the spread of an epidemic by largely determining the exposure level to the virus and the severity of the disease for those who got infected. While the complex interplay between individual characteristics and epidemic dynamics is widely recognised, traditional mathematical models often overlook these factors. In this study, we examine two important aspects of human behaviour relevant to epidemics: contact patterns and vaccination uptake. Using data collected during the COVID-19 pandemic in Hungary, we first identify the dimensions along which individuals exhibit the greatest variation in their contact patterns and vaccination uptake. We find that generally higher socio-economic groups of the population have a higher number of contacts and a higher vaccination uptake with respect to disadvantaged groups. Subsequently, we propose a data-driven epidemiological model that incorporates these behavioural differences. Finally, we apply our model to analyse the fourth wave of COVID-19 in Hungary, providing valuable insights into real-world scenarios. By bridging the gap between individual characteristics and epidemic spread, our research contributes to a more comprehensive understanding of disease dynamics and informs effective public health strategies.
E-cardiac patch to sense and repair infarcted myocardium
Authors: Qiu Renjie , Zhang Xingying , Song Chen , Xu Kaige , Nong Huijia , Li Yi , Xing Xianglong , Mequanint Kibret , Liu Qian , Yuan Quan , Sun Xiaomin , Xing Malcolm , Wang Leyu
Published: May 2024

Conductive cardiac patches can rebuild the electroactive microenvironment for the infarcted myocardium but their repair effects benefit by carried seed cells or drugs. The key to success is the effective integration of electrical stimulation with the microenvironment created by conductive cardiac patches. Besides, due to the concerns in a high re-admission ratio of heart patients, a remote medicine device will underpin the successful repair. Herein, we report a miniature self-powered biomimetic trinity triboelectric nanogenerator with a unique double-spacer structure that unifies energy harvesting, therapeutics, and diagnosis in one cardiac patch. Trinity triboelectric nanogenerator conductive cardiac patches improve the electroactivity of the infarcted heart and can also wirelessly monitor electrocardiosignal to a mobile device for diagnosis. RNA sequencing analysis from rat hearts reveals that this trinity cardiac patches mainly regulates cardiac muscle contraction-, energy metabolism-, and vascular regulation-related mRNA expressions in vivo. The research is spawning a device that truly integrates an electrical stimulation of a functional heart patch and self-powered e-care remote diagnostic sensor.
Sequential glycosylations at the multibasic cleavage site of SARS-CoV-2 spike protein regulate viral activity
Authors: Wang Shengjun , Ran Wei , Sun Lingyu , Fan Qingchi , Zhao Yuanqi , Wang Bowen , Yang Jinghong , He Yuqi , Wu Ying , Wang Yuanyuan , Chen Luoyi , Chuchuay Arpaporn , You Yuyu , Zhu Xinhai , Wang Xiaojuan , Chen Ye , Wang Yanqun , Chen Yao-Qing , Yuan Yanqiu , Zhao Jincun , Mao Yang
Published: May 2024

The multibasic furin cleavage site at the S1/S2 boundary of the spike protein is a hallmark of SARS-CoV-2 and plays a crucial role in viral infection. However, the mechanism underlying furin activation and its regulation remain poorly understood. Here, we show that GalNAc-T3 and T7 jointly initiate clustered O-glycosylations in the furin cleavage site of the SARS-CoV-2 spike protein, which inhibit furin processing, suppress the incorporation of the spike protein into virus-like-particles and affect viral infection. Mechanistic analysis reveals that the assembly of the spike protein into virus-like particles relies on interactions between the furin-cleaved spike protein and the membrane protein of SARS-CoV-2, suggesting a possible mechanism for furin activation. Interestingly, mutations in the spike protein of the alpha and delta variants of the virus confer resistance against glycosylation by GalNAc-T3 and T7. In the omicron variant, additional mutations reverse this resistance, making the spike protein susceptible to glycosylation in vitro and sensitive to GalNAc-T3 and T7 expression in human lung cells. Our findings highlight the role of glycosylation as a defense mechanism employed by host cells against SARS-CoV-2 and shed light on the evolutionary interplay between the host and the virus.
Magnetic voluntary head-fixation in transgenic rats enables lifespan imaging of hippocampal neurons
Authors: Rich P. Dylan , Thiberge Stephan Yves , Scott Benjamin B. , Guo Caiying , Tervo D. Gowanlock R. , Brody Carlos D. , Karpova Alla Y. , Daw Nathaniel D. , Tank David W.
Published: May 2024

The precise neural mechanisms within the brain that contribute to the remarkable lifetime persistence of memory are not fully understood. Two-photon calcium imaging allows the activity of individual cells to be followed across long periods, but conventional approaches require head-fixation, which limits the type of behavior that can be studied. We present a magnetic voluntary head-fixation system that provides stable optical access to the brain during complex behavior. Compared to previous systems that used mechanical restraint, there are no moving parts and animals can engage and disengage entirely at will. This system is failsafe, easy for animals to use and reliable enough to allow long-term experiments to be routinely performed. Animals completed hundreds of trials per session of an odor discrimination task that required 2–4 s fixations. Together with a reflectance fluorescence collection scheme that increases two-photon signal and a transgenic Thy1-GCaMP6f rat line, we are able to reliably image the cellular activity in the hippocampus during behavior over long periods (median 6 months), allowing us track the same neurons over a large fraction of animals’ lives (up to 19 months).
Machine learning designs new GCGR/GLP-1R dual agonists with enhanced biological potency
Authors: Puszkarska Anna M. , Taddese Bruck , Revell Jefferson , Davies Graeme , Field Joss , Hornigold David C. , Buchanan Andrew , Vaughan Tristan J. , Colwell Lucy J.
Published: May 2024

Several peptide dual agonists of the human glucagon receptor (GCGR) and the glucagon-like peptide-1 receptor (GLP-1R) are in development for the treatment of type 2 diabetes, obesity and their associated complications. Candidates must have high potency at both receptors, but it is unclear whether the limited experimental data available can be used to train models that accurately predict the activity at both receptors of new peptide variants. Here we use peptide sequence data labelled with in vitro potency at human GCGR and GLP-1R to train several models, including a deep multi-task neural-network model using multiple loss optimization. Model-guided sequence optimization was used to design three groups of peptide variants, with distinct ranges of predicted dual activity. We found that three of the model-designed sequences are potent dual agonists with superior biological activity. With our designs we were able to achieve up to sevenfold potency improvement at both receptors simultaneously compared to the best dual-agonist in the training set.
Exploring SureChEMBL from a drug discovery perspective
Authors: Gadiya Yojana , Shetty Simran , Hofmann-Apitius Martin , Gribbon Philip , Zaliani Andrea
Published: May 2024

In the pharmaceutical industry, the patent protection of drugs and medicines is accorded importance because of the high costs involved in the development of novel drugs. Over the years, researchers have analyzed patent documents to identify freedom-to-operate spaces for novel drug candidates. To assist this, several well-established public patent document data repositories have enabled automated methodologies for extracting information on therapeutic agents. In this study, we delve into one such publicly available patent database, SureChEMBL, which catalogues patent documents related to life sciences. Our exploration begins by identifying patent compounds across public chemical data resources, followed by pinpointing sections in patent documents where the chemical annotations were found. Next, we exhibit the potential of compounds to serve as drug candidates by evaluating their conformity to drug-likeness criteria. Lastly, we examine the drug development stage reported for these compounds to understand their clinical success. In summary, our investigation aims at providing a comprehensive overview of the patent compounds catalogued in SureChEMBL, assessing their relevance to pharmaceutical drug discovery.
Homocysteine thiolactone and other sulfur-containing amino acid metabolites are associated with fibrin clot properties and the risk of ischemic stroke
Authors: Sikora Marta , Bretes Ewa , Perła-Kaján Joanna , Utyro Olga , Borowczyk Kamila , Piechocka Justyna , Głowacki Rafał , Wojtasz Izabela , Kaźmierski Radosław , Jakubowski Hieronim
Published: May 2024

Homocysteine (Hcy) and Hcy-thiolactone (HTL) affect fibrin clot properties and are linked to cardiovascular disease. Factors that influence fibrin clot properties and stroke are not fully understood. To study sulfur-containing amino acid metabolites, fibrin clot lysis time (CLT) and maximum absorbance (Absmax) in relation to stroke, we analyzed plasma and urine from 191 stroke patients (45.0% women, age 68 ± 12 years) and 291 healthy individuals (59.7% women, age 50 ± 17 years). Plasma and urinary levels of sulfur-containing amino acid metabolites and fibrin clot properties were significantly different in stroke patients compared to healthy individuals. Fibrin CLT correlated with fibrin Absmax in healthy males (R2 = 0.439, P = 0.000), females (R2 = 0.245, P = 0.000), female stroke patients (R2 = 0.187, P = 0.000), but not in male stroke patients (R2 = 0.008, P = ns). Fibrin CLT correlated with age in healthy females but not males while fibrin Absmax correlated with age in both sexes; these correlations were absent in stroke patients. In multiple regression analysis in stroke patients, plasma (p)CysGly, pMet, and MTHFR A1298C polymorphism were associated with fibrin Absmax, while urinary (u)HTL, uCysGly, and pCysGly were significantly associated with fibrin CLT. In healthy individuals, uHTL and uGSH were significantly associated with fibrin Absmax, while pGSH, and CBS T833C 844ins68 polymorphism were associated with fibrin CLT. In logistic regression, uHTL, uHcy, pCysGly, pGSH, MTHFR C677T polymorphism, and Absmax were independently associated with stroke. Our findings suggest that HTL and other sulfur-containing amino acid metabolites influence fibrin clot properties and the risk of stroke.
d-arabinose induces cell cycle arrest by promoting autophagy via p38 MAPK signaling pathway in breast cancer
Authors: Tang Zhenning , Song Hanying , Qin Shaojie , Tian Zengjian , Zhang Chaolin , Zhou Yang , Cai Ruizhi , Zhu Yongzhao
Published: May 2024

Breast cancer patients often have a poor prognosis largely due to lack of effective targeted therapy. It is now well established that monosaccharide enhances growth retardation and chemotherapy sensitivity in tumor cells. We investigated whether d-arabinose has capability to restrict the proliferation of tumor cells and its mechanism. Here, we report that d-arabinose induced cytotoxicity is modulated by autophagy and p38 MAPK signaling pathway in breast cancer cell lines. The proliferation of cells was evaluated by CCK-8 and Colony formation assay. The distribution of cells in cell cycle phases was analyzed by flow cytometry. Cell cycle, autophagy and MAPK signaling related proteins were detected by western blotting. Mouse xenograft model was used to evaluate the efficacy of d-arabinose in vivo. The proliferation of cells was dramatically inhibited by d-arabinose exposure in a dose-dependent manner, which was relevant to cell cycle arrest, as demonstrated by G2/M cell cycle restriction and ectopic expression of cell cycle related proteins. Mechanistically, we further identified that d-arabinose is positively associated with autophagy and the activation of the p38 MAPK signaling in breast cancer. In contrast, 3-Ma or SB203580, the inhibitor of autophagy or p38 MAPK, reversed the efficacy of d-arabinose. Additionally, d-arabinose in vivo treatment could significantly inhibit xenograft growth of breast cancer cells. Our findings were the first to reveal that d-arabinose triggered cell cycle arrest by inducing autophagy through the activation of p38 MAPK signaling pathway in breast cancer cells.
Self-reported depression and its risk factors among hypertensive patients, Morocco: a cross-sectional study
Authors: Boukhari Fatima Zahra , Belayachi Safae , Essayagh Firdaous , Terkiba Othmane , Naji Ahmed Anouar , Amine Mohammed , Lambaki Abdellah , Essayagh Meriem , Essayagh Sanah , Essayagh Touria
Published: May 2024

Hypertensive patients are at an elevated risk of developing mental diseases such as depression, which can impair their quality of life. The purpose of this study is to measure the prevalence of self-reported depression among hypertensive patients treated at primary health care facilities in Marrakech. Between May 2021 and December 2022, a cross-sectional study of 1053 hypertensive patients attending primary health care facilities in Marrakech was conducted. A face-to-face questionnaire was used to collect socio-demographic, behavioral, and clinical data, as well as hypertension treatment characteristics and the care-patient-physician triad. The Patient Health Questionnaire-9 was used to assess self-reported depression. To identify self-reported depression risk factors, multivariate logistic regression was used. Depressive symptoms were reported by 56.1% of hypertensive patients. The patients' average age was 63.2 ± 9.5 years, and 508 (85.9%) were female. Female sex, stress, a low-salt diet, pain and physical discomfort, an urban living environment, a lack of self-monitoring of hypertension, an unsatisfactory relationship with the healthcare system, a family history of hypertension, and the perception of adverse effects of the antihypertensive drug were all associated with self-reported depression. Self-reported depression is prevalent among hypertensive patients in Marrakech. The mental health component should be emphasized while addressing hypertensive patients in primary health care facilities.
Approach for determining micro-strength parameters of rock based on particle flow code
Authors: Miao Luli , Liu Xinrong , Fu Yan
Published: May 2024

Discrete Element Method (DEM) has been successfully utilized to model rock behavior based on particle flow code (PFC), which is extensively employed in solving various problems related to rock engineering and geomechanics. Therefore, a convenient method for selecting appropriate microparameters of PFC for model generation is necessary. The present study aims to develop a novel approach that calculates proper micro-strength parameters for the contact bond model (CBM). Firstly, based on Plackett–Burman (PB) design, qualitative research is conducted and it is found that the main factors that influence the Brazilian tensile strength is microscopic tensile strength. We analyzed the stress conditions of a Brazilian disc’s vertical diameter using both continuum models and DEM. From this analysis, we establish a theoretical relationship between rock tensile strength and micro-strength parameters. Subsequently, a large number of numerical Brazilian tests were conducted to obtain the statistical relationship between the geometric parameters of balls, micro-strength parameters and the Brazilian tension strength. The results of the numerical simulation were then used to refine the theoretical equation mentioned above, resulting in a modified equation for rock tensile strength and micro-strength parameters. Finally, after verification, we confirm the feasibility of the method in this paper.
Identification of Mycobacterium abscessus using the peaks of ribosomal protein L29, L30 and hemophore-related protein by MALDI-MS proteotyping
Authors: Takei Satomi , Teramoto Kanae , Sekiguchi Yuji , Ihara Hiroaki , Tohya Mari , Iwamoto Shinichi , Tanaka Koichi , Khasawneh Abdullah , Horiuchi Yuki , Misawa Shigeki , Naito Toshio , Kirikae Teruo , Tada Tatsuya , Tabe Yoko
Published: May 2024

Mycobacteroides (Mycobacterium) abscessus, which causes a variety of infectious diseases in humans, is becoming detected more frequently in clinical specimens as cases are spreading worldwide. Taxonomically, M. abscessus is composed of three subspecies of M. abscessus subsp. abscessus, M. abscessus subsp. bolletii, and M. abscessus subsp. massiliense, with different susceptibilities to macrolides. In order to identify rapidly these three subspecies, we determined useful biomarker proteins, including ribosomal protein L29, L30, and hemophore-related protein, for distinguishing the subspecies of M. abscessus using the matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) profiles. Thirty-three clinical strains of M. abscessus were correctly identified at the subspecies-level by the three biomarker protein peaks. This study ultimately demonstrates the potential of routine MALDI-MS-based laboratory methods for early identification and treatment for M. abscessus infections.
Geometric working volume of a satellite positive displacement machine
Authors: Sliwinski Pawel
Published: May 2024

This article describes a method for determining the geometric working volume of satellite positive displacement machines (pump and motor). The working mechanism of these machines is satellite mechanism consisting of two non-circular gears (rotor and curvature) and circular gears (satellites). Two variants of the satellite mechanism are presented. In the first mechanism, the rolling line of the rotor is a sinusoid "wrapped" around a circle. In the second mechanism, the rolling line of the rotor is a double sinusoid "wrapped" around a circle. A method for calculating the area of the working chamber as a function of the rotor rotation angle is presented, based on mathematical formulae of the rotor, the curvature and the satellite rolling lines. It has been shown that the second variant of the satellite mechanism is advantageously characterised by a larger difference between the maximum area of the working chamber and the minimum area of this chamber. New mathematical formulas have been proposed to calculate the area of the working chamber for any angle of rotation of the shaft (rotor) based on the maximum and minimum values of the area of this chamber. It was thus confirmed that the geometric working volume depends on the maximum and minimum area of a working chamber and on the height of the satellite mechanism. The analyses of the area of the working chamber were carried out both for the mechanism without gears (the area delimited by the rolling lines of the elements of the mechanism) and for the real mechanism with gears. Differences in the values of these fields were also detected.
Screw dislocation in a Rashba spin-orbit coupled $$\alpha$$-$$T_3$$ Aharonov–Bohm quantum ring
Authors: Islam Mijanur , Basu Saurabh
Published: May 2024

In this paper we investigate the effect of a topological defect, such as a screw dislocation in an $$\alpha$$
α
-$$T_3$$

T
3

Aharonov–Bohm quantum ring and scrutinized the effects of an external transverse magnetic field and Rashba spin-orbit coupling therein. The screw dislocation yields an effective flux which reshape the periodic oscillations in the persistent current in both charge and spin sectors, with a period equal to one flux quantum. Moreover, they suffer a phase shift proportional to the degree of dislocation, and include scattering effects due to the dislocation present in the system. Such tunable oscillation of the spin persistent current highlights applications of our system as potential spintronic devices. Further, the behaviour of the current induced by the Burgers vector ($$b^z$$

b
z

) which denotes the strength of the dislocation is investigated in the absence and presence of an external magnetic field. In both the scenarios, an almost linear decrease in the current profile as a function of the Burgers vector is observed. Notably, without the external magnetic field, the Burgers current suffers a back flow for $$\alpha =1$$

α
=
1

(dice lattice), while in the presence of the external magnetic field, for other values of $$\alpha$$
α
(e.g., $$\alpha =0.5$$

α
=
0.5

) this back flow occurs for a specific value of $$b^z$$

b
z

. Additionally, the presence of the distortion induces a chirality effect, giving rise to an additional chiral current even in the absence of an external field. Furthermore, in the absence of field, the Burgers spin current initially rises, attains a maximum before diminishing as $$b^z$$

b
z

is enhance for all values of $$\alpha$$
α
. However, such a non-monotonicity in the Burgers spin current is conspicuously non-existent in the presence of an external field. The chiral current discussed above may hold important applications to spintronics.
Mechanistic insights into SARS-CoV-2 spike protein induction of the chemokine CXCL10
Authors: Ghazanfari Davoud , Courreges Maria Cecilia , Belinski Lydia E. , Hogrell Michael J. , Lloyd Jacob , C. Bergmeier Stephen , McCall Kelly D. , Goetz Douglas J.
Published: May 2024

During a SARS-CoV-2 infection, macrophages recognize viral components resulting in cytokine production. While this response fuels virus elimination, overexpression of cytokines can lead to severe COVID-19. Previous studies suggest that the spike protein (S) of SARS-CoV-2 can elicit cytokine production via the transcription factor NF-κB and the toll-like receptors (TLRs). In this study, we found that: (i) S and the S2 subunit induce CXCL10, a chemokine implicated in severe COVID-19, gene expression by human macrophage cells (THP-1); (ii) a glycogen synthase kinase-3 inhibitor attenuates this induction; (iii) S and S2 do not activate NF-κB but do activate the transcription factor IRF; (iv) S and S2 do not require TLR2 to elicit CXCL10 production or activate IRF; and (v) S and S2 elicit CXCL10 production by peripheral blood mononuclear cells (PBMCs). We also discovered that the cellular response, or lack thereof, to S and S2 is a function of the recombinant S and S2 used. While such a finding raises the possibility of confounding LPS contamination, we offer evidence that potential contaminating LPS does not underly induced increases in CXCL10. Combined, these results provide insights into the complex immune response to SARS-CoV-2 and suggest possible therapeutic targets for severe COVID-19.
A ResNet mini architecture for brain age prediction
Authors: Zhang Xuan , Duan Si-Yuan , Wang Si-Qi , Chen Yao-Wen , Lai Shi-Xin , Zou Ji-Sheng , Cheng Yan , Guan Ji-Tian , Wu Ren-Hua , Zhang Xiao-Lei
Published: May 2024

The brain presents age-related structural and functional changes in the human life, with different extends between subjects and groups. Brain age prediction can be used to evaluate the development and aging of human brain, as well as providing valuable information for neurodevelopment and disease diagnosis. Many contributions have been made for this purpose, resorting to different machine learning methods. To solve this task and reduce memory resource consumption, we develop a mini architecture of only 10 layers by modifying the deep residual neural network (ResNet), named ResNet mini architecture. To support the ResNet mini architecture in brain age prediction, the brain age dataset (OpenNeuro #ds000228) that consists of 155 study participants (three classes) and the Alzheimer MRI preprocessed dataset that consists of 6400 images (four classes) are employed. We compared the performance of the ResNet mini architecture with other popular networks using the two considered datasets. Experimental results show that the proposed architecture exhibits generality and robustness with high accuracy and less parameter number.
Remote sensing inversion on heavy metal content in salinized soil of Yellow River Delta based on Random Forest Regression—a case study of Gudao Town
Authors: Fu Pingjie , Li Xiaotong , Zhang Jiawei , Ma Chijie , Wang Yuqiang , Meng Fei
Published: May 2024

To explore the potential of using the mineral alteration information extracted by remote sensing technology to indirectly estimate the heavy metal content of salinized soil, 23 sampling points were uniformly set up in the town of Gudao in the Yellow River Delta as the research area in 2022. The concentrations of seven heavy metals, Cr, Cu, Pb, Zn, As, Mn and Ni, at the sampling points were determined in laboratory tests. Spectral derivative indices, topographic factors, and mineral alteration information (iron staining, hydroxyl, and carbonate ions) were extracted and screened as modeling factors using Sentinel 2 imagery. An inverse model of heavy metal content was constructed using the random forest algorithm, and the model accuracy was evaluated using the cross-validation method. The results of the study show that: (1) Hydroxyl and carbonate ion alteration can be effectively used for the inversion of soil As and Ni content in this study area. Iron-stained alteration can be used as a modeling factor in the inversion of Cr, Cu, Pb, Zn, and Mn concentrations. (2) The inclusion of alteration information improves the accuracy of heavy metal content inversion. The Cu concentration was verified to be the best predictor, with an RMSE of 3.309, MAPE of 11.072%, and R2 of 0.904, followed by As, Ni, and Zn; the predictive value of Mn, Cr and Pb was average. (3) Based on the results of concentration inversion, the high concentration areas of As, Ni, and Mn are primarily distributed on both sides of the river and around lakes and ponds. The high-concentration areas of Zn were mainly distributed in the farmland areas on both sides of the river. Areas with high concentrations of Cu were mainly distributed in the eastern oil extraction area, both sides of the rivers, and around lakes.
Ferroelectric polarization promotes a CdS/In2Se3 heterostructure for photocatalytic water splitting
Authors: Jia Minglei , Jin Chao , Wang Baoshan , Wang Bing
Published: May 2024

The built-in electric field (Eint) and polarized electric field (Ep) of heterostructures greatly promotes the spatial separation of photogenerated electrons and holes.
A nano-imprinted graphene oxide-cellulose composite as a SERS active substrate
Authors: Alotaibi Aeshah F. , Rodriguez Brian J. , Rice James H.
Published: May 2024

Cellulose is a sustainable material capable of forming optically active nanoarrays on its surface.
CuI-amidobis(phosphine) catalyzed C(sp3)–C(sp3) direct homo- and hetero-coupling of unactivated alkanes via C(sp3)–H activation
Authors: Sonawane Sachin C. , Gourkhede Rani , Saini Prateek , Ramakrishnan Srinivasan , Balakrishna Maravanji S.
Published: May 2024

In this methodology, a dimeric complex, [CuI{o-Ph2PC6H4C(O)NC6H4PPh2-o}]2, enables the direct homo- and hetero-coupling of unactivated alkanes, bearing various functional groups, through the activation of C(sp3)–H bonds.
Room temperature and rapid synthesis of two-dimensional bimetallic NiCo-CAT MOFs by an electrochemical strategy for enhancing electrocatalytic oxygen evolution reaction
Authors: Yan Wan-Ru , Xue Yu , Liu Mei-Chen , Qiao Xiu , Jing Chang-Yi , Yu Yue , Yan Xiao-Chun , Wei Jin-Zhi , Dong Hong , Zhang Feng-Ming
Published: May 2024

In this work, a mild green electrochemical method was used to synthesize two-dimensional MOFs. Electrochemical testing revealed that NiCo-CAT/CC exhibited a low overpotential accompanied by a small Tafel slope in a 1.0 M KOH solution.
Application of molecular dynamics-based pharmacophore and machine learning approaches to identify novel Mcl1 inhibitors through drug repurposing and mechanics research
Authors: Wang Hanxun , Qi Zhuo , Lian Wenxiong , Ma Lanyan , Wang Shizun , Liu Haihan , Jin Yu , Yang Huali , Wang Jian , Cheng Maosheng
Published: May 2024

This work introduced an innovative drug repurposing solution involving MD-refined pharmacophore and machine learning methods. Fluvastatin was successfully identified as a potential Mcl1 inhibitor through flow cytometry and other in silico methods.
A new compositional microscopic degree of freedom at grain boundaries in complex compounds: a case study in spinel
Authors: Hatton Peter , Uberuaga Blas Pedro
Published: May 2024

A new microscopic degree of freedom describing chemical disorder at grain boundaries in compounds is proposed and analyzed in the context of three spinel chemistries.
O2 activation by subnanometer Re–Pt clusters supported on TiO2(110): exploring adsorption sites
Authors: Álvarez-García Andrés , Molina Luis M. , Garzón Ignacio L.
Published: May 2024

Activation of O2 by subnanometer metal clusters is a fundamental step in the reactivity and oxidation processes of single-cluster catalysts.
K2MgMoP2O10 and K3Mg2MoP3O14: two new molybdophosphates exhibiting different optical anisotropies induced by variable dimensionality of the anion framework
Authors: Gao Zhixia , Feng Qiuyuan , Lu Juanjuan , Du Hong
Published: May 2024

Two new molybdophosphates, K2MgMoP2O10 and K3Mg2MoP3O14, were synthesized by spontaneous crystallization. To the best of our acknowledge, K2MgMoP2O10 exhibits the largest birefringence (0.187 at 546 nm) among reported alkali metal or alkaline earth metal molybdophosphates.
An engineered T7 RNA polymerase for efficient co-transcriptional capping with reduced dsRNA byproducts in mRNA synthesis
Authors: Miller Mathew , Alvizo Oscar , Baskerville Scott , Chintala Avinash , Chng Chinping , Dassie Justin , Dorigatti Jonathan , Huisman Gjalt , Jenne Stephan , Kadam Supriya , Leatherbury Neil , Lutz Stefan , Mayo Melissa , Mukherjee Arpan , Sero Antoinette , Sundseth Stuart , Penfield Jonathan , Riggins James , Zhang Xiyun
Published: May 2024

We have engineered a novel RNA polymerase, T7-68, that improves co-transcriptional incorporation of selected cap analogs and reduces dsRNA content, addressing manufacturing challenges and facilitating large-scale mRNA production.
Deep eutectic solvents as green solvents for materials preparation
Authors: Yu Dongkun , Jiang Depeng , Xue Zhimin , Mu Tiancheng
Published: May 2024

DESs play a Janus role (chemical or physical) in the preparation of materials. The physical aspect includes solvating, exfoliating, dispersing and confining, while the chemical part includes reacting, composing, polymerizing and modifying.
Electrochemical oxidation of lignin model compounds over metal oxyhydroxides on nickel foam
Authors: Danlu Zhang , Xu Zeng , Sinong Wang , Yan Xu , Qiqi Dai , Fengxia Yue , Peng Wang , Chuanfu Liu , Wu Lan
Published: May 2024

The lignin model compounds were efficiently cleaved into veratric acid and aliphatic carboxylic acids by the electrocatalyst nickel oxyhydroxide.
Sein–EY marvels: effortless elegance in crafting flexible film photocatalysts for formic acid production from CO2 and cyclization of thioamides in the air's embrace
Authors: Shahin Rehana , Yadav Rajesh K. , Verma Rajesh K. , Singh Chandani , Singh Satyam , Singhal Rajat , Gupta Navneet K. , OoK Baeg Jin , El-Hiti Gamal A. , Yadav Krishna Kumar
Published: May 2024

Carbon dioxide reduction together with aerobic oxidative cyclization using eosin Y-based light-harvesting photocatalysts remains a key challenge.
Self-revealing kinetically captured self-assembly of a N,N′-diphenyl-dihydrodibenzo[a,c]phenazine derivative
Authors: Wang Qijing , Zhang Zhaozhi , Mei Ju
Published: May 2024

We have developed a vibration-induced emission-active fluorogen capable of kinetically-captured self-assembly and visualizing its own self-assembly process in real time and in situ. CPL with a glum of 7.1 × 10−2 is achieved.
A highly sensitive Zr-MOF mediated multi-enzyme cascade platform for the colorimetric and fluorescent dual-signal determination of sarcosine
Authors: Wang Nan , Ma Lin , Li Zhengxuan , Zhou Chenyu , Su Xingguang
Published: May 2024

Herein, a highly sensitive detection platform for the dual-mode determination of sarcosine by fluorescence and colorimetry was constructed based on zirconium-based metal organic frameworks (Zr-MOFs) with multi-enzyme immobilization.
Alkoxycarbonylation-triggered nitrile insertion/remote C(sp2)–H and C(sp3)–H functionalization to access esterified quinazolinones and amidines
Authors: Cai Shao-Qun , Xiao Hui-Xin , Fang Shi-Cui , Li Pan-Pan , Yang Zhi , Liang Wu , Pan Bin , Du Fei
Published: May 2024

A new alkoxycarbonyl radical triggered nitrile insertion/remote C(sp2)–H and C(sp3)–H functionalization reaction is developed.
Biswulfenioidins A–E, dioxygen-bridged abietane-type diterpenoid dimers with anti-Zika virus potential from Orthosiphon wulfenioides
Authors: Tu Wen-Chao , Huang Yong-Xiang , Kong Yuan-Lin , Li Bo , Wang Bin-Bao , Dong Tian-Hao , Chen Wei-Chi , Zeb Muhammad Aurang , Li Xiao-Li , Liu Mei-Feng , Zheng Chang-Bo , Xiao Wei-Lie
Published: May 2024

Six dioxygen-bridged abietane-type diterpenoid dimers with unprecedented angular fused and rare parallel fused structures were isolated from Orthosiphon wulfenioides. Notably, compounds 5 and 6 showed potent activity against ZIKV by inhibiting the expression of the E and NS5 protein.
Ni-based catalysts supported on Hbeta zeolite for the hydrocracking of waste polyolefins
Authors: Zhang Guoqing , Mao Qingguo , Yue Yiqun , Gao Ruitong , Duan Yajing , Du Hui
Published: May 2024

High efficiency hydrocracking degradation of mixed polyolefin polymers is achieved under mild circumstances by Ni-based catalysts supported on Hbeta.
The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study
Authors: Martínez-Fernández Lara , Green James Alexander , Esposito Luciana , Jouybari Martha Yaghoubi , Zhang Yuyuan , Santoro Fabrizio , Kohler Bern , Improta Roberto
Published: May 2024

We disentangle the photophysical processes triggered in a representative DNA sequence by absorption of UV light, giving new molecular insights on the sub picosecond component of phenomena with great biological importance.
Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence
Authors: Yang Hao-Ran , Cheng Xiang , Chang Xin , Wang Zuo-Fei , Dong Xiu-Qin , Wang Chun-Jiang
Published: May 2024

A stereodivergent synthesis of chiral ζ-hydroxy amino esters containing 1,6-stereocenters and a unique β,γ-unsaturation was developed through asymmetric Cu/Ru relay catalysis to conduct the borrowing hydrogenation/1,6-Michael addition protocol.
Re-assessing viologens for modern bio-electrocatalysis
Authors: Koomson Desmond Ato , Nicholson Jake H. , Brogan Alex P. S. , Aldous Leigh
Published: May 2024

Through a rationally designed library of viologens, we show that catalytic efficiency of a model flavoenzyme is strongly correlated to the reduction potential. This work demonstrates viologens as versatile mediators for biocatalytic redox reactions.
Boosting the degradation of antibiotics via peroxymonosulfate activation with a Cu-based metal–organic framework
Authors: Wu Ying , Liang Gang , Li Wen-Bin , Zhong Xiao-Feng , Zhang Yang-Yang , Ye Jia-Wen , Yang Tao , Mo Zong-Wen , Chen Xiao-Ming
Published: May 2024

A new [Cu3(µ3-O)]4+-based metal–organic framework (MOF) with rich open metal sites (OMSs) exhibits excellent degradation performance towards various types of antibiotics by activation of peroxymonosulfate.
Synergistic design of g-C3N4-supported CNTs: experimental and DFT insights for enhanced electrochemical performance in flexible Li–S batteries
Authors: Tomer Vijay K. , Kumawat Rameshwar L. , Titton Dias Otavio Augusto , Malik Ritu , Schatz George C. , Sain Mohini
Published: May 2024

A schematic for the preparation of a g-C3N4-CNT/S composite cathode for lithium–sulfur batteries.
Nanoparticles targeting the adenosine pathway for cancer immunotherapy
Authors: Jiang Kehua , Wu Jian , Wang Qing , Chen Xiaolong , Zhang Yanlong , Gu Xiaoya , Tang Kun
Published: May 2024

Outline of this review on adenosine pathway inhibitors for cancer immunotherapy.
Establishing the correlation of negative permittivity and AC conductivity of La2−xSrxNiO4 (x = 0, 0.1, 0.3, 1.0) for microwave shielding applications
Authors: Katheriya Tarun , Nirala Gurudeo , Upadhyay Shail
Published: May 2024

In Sr-doped La2NiO4, we observed plasma-like negative permittivity behavior along with enhanced shielding effectiveness. The primary shielding mechanism was reflection, attributed to intense impedance mismatching.
Recent progress of organic artificial synapses in biomimetic sensory neural systems
Authors: Fang Lan , Mao Cuizhu , Wang Haiting , Ding Qian , Jiao Wenyao , Li Bingshuo , Zhang Yibo , Gong Dunwei
Published: May 2024

This review summarizes the recent advancements in organic artificial synapses and their applications in simulating somatosensory, visual, auditory, gustatory, olfactory and multimodal sensory neural systems.
Solution epitaxy and photoelectric detection performance of halide–oxide perovskite heterojunction
Authors: Wu Rong , Tu Jie , Liu Xudong , Liu Xiuqiao , Xi Guoqiang , Tian Jianjun , Zhang Linxing
Published: May 2024

Optimisation of process parameters and introduction of strain to modulate the optoelectronic performance of halide–oxide perovskite heterojunction devices.
Genetically engineered human embryonic kidney cells as a novel vehicle for dual patch clamp study of human gap junction channels
Authors: Chen Honghong , Li Yi X. , Wong Robert S. , Esseltine Jessica L. , Bai Donglin
Published: May 2024

Mutations in more than half of human connexin genes encoding gap junction (GJ) subunits have been linked to inherited human diseases. Functional studies of human GJ channels are essential for revealing mechanistic insights into the etiology of disease-linked connexin mutants. However, the commonly used Xenopus oocytes, N2A, HeLa, and other model cells for recombinant expression of human connexins have different and significant limitations. Here we developed a human cell line (HEK293) with each of the endogenous connexins (Cx43 and Cx45) knocked out using the CRISPR-Cas9 system. Double knockout HEK293 cells showed no background GJ coupling, were easily transfected with several human connexin genes (such as those encoding Cx46, Cx50, Cx37, Cx45, Cx26, and Cx36) which successfully formed functional GJs and were readily accessible for dual patch clamp analysis. Single knockout Cx43 or Cx45 HEK cell lines could also be used to characterize human GJ channels formed by Cx45 or Cx43, respectively, with an expression level suitable for studying macroscopic and single channel GJ channel properties. A cardiac arrhythmia linked Cx45 mutant R184G failed to form functional GJs in DKO HEK293 cells with impaired localizations. These genetically engineered HEK293 cells are well suited for patch clamp study of human GJ channels.
The potential and pitfalls of large language models in molecular biosciences
Authors: Xu Chengqi , Elemento Olivier
Published: May 2024

Large language models (LLMs) have revolutionized information processing and are now being applied to complex problems in molecular biosciences. LLMs excel at learning patterns in biological sequences, enabling applications such as predicting the function of DNA regulatory elements, analysing chromatin modifications and predicting the effects of genetic variants. In drug discovery, LLMs are being used to optimize drug properties, design novel molecules and even automate compound synthesis. However, realizing the full potential of LLMs in the molecular biosciences requires addressing challenges such as designing effective learning objectives, generating high-quality, domain-specific datasets and building trust in AI-assisted decision-making. As these challenges are addressed, LLMs hold immense potential for advancing research and driving ground-breaking discoveries in molecular biosciences.
Technology to the rescue: how to uncover the role of transposable elements in preimplantation development
Authors: Deaville Lauryn A. , Berrens Rebecca V.
Published: May 2024

Transposable elements (TEs) are highly expressed in preimplantation development. Preimplantation development is the phase when the cells of the early embryo undergo the first cell fate choice and change from being totipotent to pluripotent. A range of studies have advanced our understanding of TEs in preimplantation, as well as their epigenetic regulation and functional roles. However, many questions remain about the implications of TE expression during early development. Challenges originate first due to the abundance of TEs in the genome, and second because of the limited cell numbers in preimplantation. Here we review the most recent technological advancements promising to shed light onto the role of TEs in preimplantation development. We explore novel avenues to identify genomic TE insertions and improve our understanding of the regulatory mechanisms and roles of TEs and their RNA and protein products during early development.
Productions of Goldman-Fristoe Test of Articulation–Third Edition Stimulus Words Among Teenage Speakers of Anguillian Eastern Caribbean English
Authors: Franklin Amber D. , Turner Chloe , Lindsay Nurse Keisha T. , Arline Cheryl
Published: May 2024

Purpose:

This study documents consonant and vowel variation in typically developing teenage speakers of Anguillian English, demonstrates how consonant variation impacts performance on the Goldman-Fristoe Test of Articulation–Third Edition (GFTA-3), and provides culturally responsive clinical recommendations for GFTA-3 scoring involving native speakers of Anguillian English.

Method:

Twenty Anguillian teenagers (14;3–17;9 [years;months]) completed the GFTA-3 Sounds in Words subtest. The audio-recorded productions were phonetically transcribed and analyzed to determine consonant and vowel variations that differed from Mainstream U.S. English. To demonstrate the importance of culturally responsive assessment, deficit scores were compared with language-appropriate scores.

Results:

Anguillian consonant variation heavily impacted GFTA-3 stimuli that were meant to elicit /ɚ/, postvocalic /ɹ/, interdental fricatives, and present participle /ŋ/. Vowel variations included production of /ʌɪ/ in
knife,
/ɑɪ/ in
boy,
and /oʊ/ in
house.
Some speakers demonstrated more consistent use of Anguillian speech variation than others. When language-appropriate scoring was not used, 19 of the 20 participants scored below the first percentile in the Sounds in Words subtest.

Conclusions:

Culturally and linguistically responsive practices and tools are needed throughout the Eastern Caribbean region. This study's description of Anguillian English speech variation in GFTA-3 stimuli is a resource that will improve culturally responsive speech sound assessment in Anguillian children. We encourage clinicians and researchers to replicate this study with speakers of other Eastern Caribbean English languages.