bluuebunny/crossref_metadata_2025_split huggingface dataset:
The influence of video‐based training on caregiver arrangement of infant sleeping environments
Authors: Schnell‐Peskin Lauren K. , Day‐Watkins Jessica , Mery Jacqueline N. , Vladescu Jason C. 
Published: May 2023

AbstractRecent behavior analytic studies have examined behavioral skills training to teach adults to arrange safe infant sleeping environments. These studies were conducted in an analogue environment and with all training components delivered by an expert staff trainer. The purpose of the current study was to replicate and extend this literature by substituting video‐based training for behavioral skills training. We assessed whether expectant caregivers could arrange safe infant sleeping environments following video‐based training. The results suggested that video‐based training alone resulted in positive outcomes for a portion of participants, whereas a subset of participants required feedback to reach mastery criteria. The social validity data suggest that the participants found the training procedures favorable.
Metabolism and elimination kinetics of mono‐hydroxylated PAHs metabolites following single exposure to different combinations of PAH4 in rats
Authors: Yang Miao , Mao Kanmin , Cao Xin , Liu Hongjuan , Wang Xinzheng , Mao Weifeng , Hao Liping 
Published: May 2023

AbstractThe metabolism of polycyclic aromatic hydrocarbons (PAHs) and the elimination kinetics of their mono‐hydroxylated metabolites (OH‐PAHs) following single exposure to different combinations of four PAHs (PAH4) were studied. Male Sprague–Dawley rats were orally exposed to a single dose of benzo[a]pyrene (B[a]P) or PAH2 (B[a]P + chrysene), PAH3 (B[a]P + chrysene + benz[a]anthracene), and PAH4 (B[a]P + chrysene + B[a]A + benzo[b]fluoranthene) with each combination adjusted to the same dose of individual compound. OH‐PAHs including 3‐hydroxybenzo[a]pyrene, 3‐hydroxychrysene, 3‐hydroxybenz[a]anthracene, and 1‐hydroxypyrene (1‐OHP) were detected in serum and urine samples collected at six intervals over a 72‐h period post‐dosing. The hepatic mRNA levels of cytochrome P450 (CYPs) were determined to ascertain the expression induction of PAHs metabolic enzymes. Results showed OH‐PAHs (except 1‐OHP) peaked within 8 h in serum and were excreted from urine within 24–48 h. The serum and urinary concentration of 3‐hydroxybenzo[a]pyrene was significantly increased after PAH4 exposure compared with other PAHs combinations. Inversely, urinary concentration of 3‐hydroxychrysene was decreased after PAH4 exposure, and the kinetics of 3‐hydroxybenz[a]anthracene or 1‐OHP were not different depending on the PAHs combinations. Also, CYPs were markedly induced by PAHs. Notably, the induction levels of CYP1A1 and CYP1B1 were significantly higher after PAH4 exposure compared with B[a]P exposure. The results indicated the metabolism of B[a]P was accelerated after PAH4 exposure which might be partly due to the induction of CYPs. These results confirmed PAHs are rapidly metabolized and suggested potential interactions of PAHs may happen among PAH4 mixture.
Single‐Cell Transcriptomic Atlas of Parathyroid Adenoma and Parathyroid Carcinoma
Authors: Chen Lihui , Shan Ci , Xu Shuqin , Deng Xianzhao , Guo Bomin , Jiao Qiong , Zhang Li , Fan Youben , Yue Hua , Zhang Zhenlin 
Published: May 2023

ABSTRACTPrimary hyperparathyroidism is typically characterized by monoclonal parathyroid tumors that secrete an excessive amount of parathyroid hormone (PTH). However, the underlying pathogenesis of tumorigenesis remains unclear. We performed single‐cell transcriptomic analysis on five parathyroid adenoma (PA) and two parathyroid carcinoma (PC) samples. A total of 63,909 cells were divided into 11 different cell categories; endocrine cells accounted for the largest proportion of cells in both PA and PC, and patients with PC had larger populations of endocrine cells. Our results revealed significant heterogeneity in PA and PC. We identified cell cycle regulators that may play a critical role in the tumorigenesis of PC. Furthermore, we found that the tumor microenvironment in PC was immunosuppressive, and endothelial cells had the highest interactions with other cell types, such as fibroblast‐musculature cells and endocrine cells. PC development may be stimulated by fibroblast‐endothelial cell interactions. Our study clarifies the transcriptional signatures that underlie parathyroid tumors and offer a potential significant contribution in the study of pathogenesis of PC. © 2023 American Society for Bone and Mineral Research (ASBMR).
Enhanced sampling in explicit solvent by deep learning module inFSATOOL
Authors: Wu Mincong , Liao Jun , Shu Zirui , Chen Changjun 
Published: May 2023

AbstractFSATOOL is an integrated molecular simulation and data analysis program. Its old molecular dynamics engine only supports simulations in vacuum or implicit solvent. In this work, we implement the well‐known smooth particle mesh Ewald method for simulations in explicit solvent. The new developed engine is runnable on both CPU and GPU. All the existed analysis modules in the program are compatible with the new engine. Moreover, we also build a complete deep learning module in FSATOOL. Based on the module, we further implement two useful trajectory analysis methods: state‐free reversible VAMPnets and time‐lagged autoencoder. They are good at searching the collective variables related to the conformational transitions of biomolecules. In FSATOOL, these collective variables can be further used to construct a bias potential for the enhanced sampling purpose. We introduce the implementation details of the methods and present their actual performances in FSATOOL by a few enhanced sampling simulations.
Fragments‐in‐fragments method for efficient and reliable estimates of individual hydrogen bond energies in large molecular clusters
Authors: Ahirwar Mini Bharati , Deshmukh Milind M. 
Published: May 2023

AbstractThe knowledge of individual hydrogen bond (HB) strength in molecular clusters is indispensable to get insights into the bulk properties of condensed systems. Recently, we have developed the molecular tailoring approach based (MTA‐based) method for the estimation of individual HB energy in molecular clusters. However, the direct use of this MTA‐based method to large molecular clusters becomes progressively difficult with the increase in the size of a cluster. To overcome this caveat, herein, we propose the use of linear scaling method (such as the original MTA method) for the estimation of single‐point (SP) energies of large‐sized parent molecular cluster and their respective fragments. Because the fragments of the MTA‐based method, for the estimation of HB energy, are further fragmented, this proposed strategy is called asFragments‐in‐Fragments (Frags‐in‐Frags) method. The SP energies of fragments and parent cluster calculated by theFrags‐in‐Fragsapproach were utilized to estimate the individual HB energy. The estimated individual HB energies, in various molecular clusters, byFrags‐in‐Fragsmethod are found to be in excellent linear agreement with their MTA‐based counterparts (R2 = 0.9975 of 348 data points). The difference being less than 0.5 kcal/mol in most of the cases. Furthermore, RMSD is 0.43 kcal/mol, MAE is 0.33 kcal/mol, and the standard deviation is 0.44 kcal/mol. Importantly, theFrags‐in‐Fragsmethod not only enables the reliable estimation of HB energy in large molecular clusters but also requires less computational time and can be possible even with off‐the‐shelf hardware.
Morphology of the soft palate and palatine tonsil of the goat (Capra hyricus)
Authors: Mahdy Mohamed A. A. , Mohamed Salma A. , Abdalla Kamal E. H. 
Published: May 2023

AbstractThe present study was carried out to study the morphology of the goat's soft palate and palatine tonsil by gross anatomy, morphometry, light and scanning electron microscopy (SEM). Twelve heads of normal adult (18–24 months) apparently healthy goats of both sexes were collected from local commercial slaughterhouses in Qena Governorate, Egypt. The oral cavity was dissected, and samples were collected for both light and SEM. The soft palate of the goat formed the caudal continuation of the hard palate. It was relatively short, it extended from the level of the caudal border of the last upper molar tooth to terminate caudally against the base of the epiglottis. The oral mucous membrane of the soft palate was covered by non‐keratinized stratified squamous epithelium. The lamina propria and submucosa contained connective tissue fibers, diffuse and nodular lymphatic tissue, striated muscle fibers, and a large number of mucous and serous palatine glands. By SEM, the ventral surface had several rounded openings occupied by flower‐like structures. These openings represented the entrances to the palatine glands. The palatine tonsil was large and protruded from a fossa in the lateral wall of the oropharynx. It had 2–3 elongated irregular openings that lead to the underlying crypts. These crypts were well‐developed and lined by non‐keratinized stratified squamous epithelium. The epithelium of the tonsillar crypts directly covered lymphoid tissue and was infiltrated by lymphocytes. Tonsillar glands of pure mucous type were demonstrated. In conclusion, the study provides the basic morphological features of soft palate, as well as the palatine tonsil of the goat by gross observation, light and SEM. The palatine tonsils of goat were well‐developed with extensive crypt system, suggesting their essential role in the immunological response against antigens that enter through the oral cavity. The current findings may be useful to understand the role of the palatine tonsil in immunity and disease pathogenesis.Research Highlights
The study reported the basic morphological features of soft palate and palatine tonsil of goat.
The ventral surface of the soft palate had several rounded openings occupied by flower‐like structures.
The palatine tonsils of goat were well‐developed with extensive crypt system.
The findings might help to understand the role of the palatine tonsil in immunity and disease pathogenesis.
Synthesis, physico‐chemical characterization and theoretical exploration of some 2,4,5‐triaryl imidazole derivatives
Authors: Chettri Sailesh , Tamang Sumiran , Rai Prasansha , Rai Yachna , Singha Uttam Kumar , Pradhan Kiran , Brahman Dhiraj , Sinha Biswajit 
Published: May 2023

AbstractA series of six 2, 4, 5‐triarylimidazole (IM‐1 to IM‐6) have been prepared by the multi‐component condensation reaction involving benzil, substituted salicylaldehyde and NH4OAc under solvent free condition by using unconventional CuB4O7 catalyst. The compounds were characterized using various analytical and spectroscopic techniques. Furthermore, DFT studies such as optimization of gas phase structure, HOMO‐LUMO energies, Molecular electrostatic potential, NLO properties of these compounds have been investigated. In‐silico molecular docking study of 2, 4, 5‐triarylimidazole derivatives (IM‐1 to IM‐6) have been carried out to ascertain the inhibitory potential of these molecules against a diabetic protein (PDB ID 1IR3). The study showed that the these compounds have remarkable inhibitory potential against the protein 1IR3 with binding energy (ΔG) values for the compounds (IM‐1 to IM‐6) −8.7, −8.4, −8.8, −8.0, −8.9 and −7.8 kcal/mol respectively. In addition, the pharmacokinetic properties (ADMET) of the compounds (IM‐1 to IM‐6) have also been studied.
Quorum sensing‐associated bacterial phenazines are potential ligands of human α1‐acid glycoprotein
Authors: Zsila Ferenc 
Published: May 2023

Abstractα1‐Acid glycoprotein (AGP) is a prominent acute phase component of blood plasma and extravascular fluids. As a member of the immunocalins, AGP exerts protective effects against Gram‐negative bacterial infections but the underlying molecular mechanisms still need to be elucidated. Notably, the chemical structures of phenothiazine, phenoxazine and acridine type ligands of AGP are similar to those of phenazine compounds excreted by the opportunistic human pathogen Pseudomonas aeruginosa and related bacterial species. These molecules, like pyocyanin, act as quorum sensing‐associated virulence factors and are important contributors to bacterial biofilm formation and host colonisation. Molecular docking simulations revealed that these agents fit into the multi‐lobed cavity of AGP. The binding site is decorated by several aromatic residues which seem to be essential for molecular recognition of the ligands allowing multifold π–π and CH–π interactions. The estimated affinity constants (~105 M−1) predict that these secondary metabolites could be trapped inside the β‐barrel of AGP which in turn could reduce their cytotoxic effects and disrupt the microbial QS network, facilitating the eradication of bacterial infections.
Surface microtextures of quartz grains and minor sedimentary components across the Paleolithic Jeongok‐ri sediments, Yeoncheon, South Korea
Authors: Baek Soyoung , Jo Kyoung‐nam 
Published: May 2023

ABSTRACTThe Jeongok‐ri Paleolithic site in the central Korean peninsula is known as the first findspot of Acheulean‐type hand axes in East Asia. Although many previous studies have investigated the depositional environments of Jeongok‐ri sediments across the Paleolithic occupation, they remain controversial. In this study, we collected an 11‐m‐long core to obtain evidence from systematic surface microtextures of quartz grains (SMQs) concerning depositional environments in the Jeongok‐ri archeological site. SMQs in the Jeongok‐ri sediments are characterized by dominant angular to subangular outlines and small to large conchoidal fractures with arcuate steps, as well as sparse V‐shaped percussion cracks; these features suggest short distances and subaqueous transportation with grain‐to‐grain collisions and violent impacts of quartz grains. On the basis of simultaneous sedimentation of the hosting silt deposits, our SMQ results suggest that Jeongok‐ri sediments were originally fluvial, regardless of their intermediate sedimentary history. This evidence from quartz grain microtextures is consistent with minor sedimentary components found in the Jeongok‐ri core sediments, such as diatom grains as microfossil constituents, along with macroscopic charcoals and titanium‐bearing detrital magnetite grains. The geological and geomorphological conditions of the Jeongok‐ri site are also favorable for floodplain environments given the position adjacent to river terraces formed by the previous lateral erosion of a meandering channel in the nearby Hantan River. Our findings will help to understand environmental conditions during the development of Paleolithic cultures in East Asia.
System to screen and purify active ingredients from herbal medicines using hydrogel‐modified human umbilical vein endothelial cell membrane chromatography coupled with semi‐preparative high‐performance liquid chromatography‐offline‐high‐performance liquid chromatography‐mass spectrometry
Authors: Huang Hui , Dai Yabin , Zhang Yuefen , Li Yongning , Ye Huazhen , Guo Dan , Lu Qiaomei , Cai Xiaohua 
Published: May 2023

Analytical screening and validation systems based on a combination of cell membrane chromatography and two‐dimensional chromatography‐tandem mass spectrometry are incapable of providing prepared samples containing the active ingredients found in traditional Chinese medicine; therefore, these samples cannot be directly used in subsequent studies. In this study, a semi‐preparative cell membrane chromatography column was developed using a hydrogel‐modified carrier and human umbilical vein endothelial cells to optimize prepared conditions, such as hydrogel polymerization, cell fragmentation, and cell membrane volume. This increased the binding ratio of membrane protein and carrier to 15.79 mg/g. The column was systematically evaluated using multitarget tyrosine kinase inhibitors that displayed good specificity and reproducibility. Subsequently, using the column coupled with a semi‐preparative high‐performance liquid chromatography‐offline‐high‐performance liquid chromatography‐mass spectrometry system, 15 active ingredients were screened and purified from Indigo naturalis, and five main components were identified: l‐lysine, oxyresveratrol, tryptanthrin, isorhamnetin, and indirubin. Furthermore, the pharmacological effects of the ingredients were confirmed using cell proliferation and apoptosis assays. Results revealed potent proliferation‐inhibiting and apoptosis‐promoting abilities on human chronic myelogenous leukemic cells and human promyelocytic leukemic cells (p < 0.001). Overall, the system presented screening and purification functions that could be used to prepare I. naturalis samples acting on the epidermal growth factor receptor and vascular endothelial cell growth factor.
The inhibition performance of anionic surfactant and zwitterionic surfactant toward the corrosion of carbon steel in NaCl solution
Authors: Wu Chaodang , Yang Heng , Zhang Shangqi , Han Peng , Sun Haoran , Sheng Zixiang , Yu Haobo , Ma Xiaomei 
Published: May 2023

AbstractCarbon steel suffers from serious corrosion in NaCl solution, the development of effective inhibitor has become a hot issue. The corrosion inhibition performance of sodium lauryl ether sulfate (AES) and lauryl betaine (BS‐12) and the mixture of the two inhibitors were studied using electrochemical and weight‐loss methods. Results showed the corrosion inhibition efficiency order is AES + BS‐12 > BS‐12 > AES, the inhibition efficiency of the inhibitor increases with the increasing of concentration and the maximum inhibition efficiency is 95.9% in the solution with 200 mg L−1 AES + BS‐12. Inhibitor can adsorb on Q235 surface through physical and chemical interactions and the adsorption obeys Langmuir isotherm. The migration of the corrosive ions to the metal is hindered and the metal is protected.
Oral hard tissue defect models for evaluating the regenerative efficacy of implant materials
Authors: Sun Xiaowen , Heng Boon Chin , Zhang Xuehui 
Published: May 2023

AbstractOral hard tissue defects are common concomitant symptoms of oral diseases, which have poor prognosis and often exert detrimental effects on the physical and mental health of patients. Implant materials can accelerate the regeneration of oral hard tissue defects (such as periodontal defects, alveolar bone defects, maxilla bone defects, mandible bone defects, alveolar ridge expansion, and site preservation), but their regenerative efficacy and biocompatibility need to be preclinically validated in vivo with animal‐based oral hard tissue defect models. The choice of oral hard tissue defect model depends on the regenerative effect and intended application of the tested implant material. At the same time, factors that need to be considered include techniques for constructing the particular defect model, the scaffold/graft material used, the availability of animal model evaluation techniques and instrumentation, as well as costs and time constraints. In this article, we summarize the common oral hard tissue defect models in various animal species (such as periodontal model, jaw defect model, and implantation defect model) that can be used to evaluate the regenerative efficacy and biocompatibility of implant materials.
Ketogenic diet protects MPTP‐induced mouse model of Parkinson's disease via altering gut microbiota and metabolites
Authors: Jiang Ziying , Wang Xinyu , Zhang Haoqiang , Yin Jian , Zhao Peiqing , Yin Qingqing , Wang Zhenfu 
Published: May 2023

AbstractThe ketogenic diet (KD) is a low‐carbohydrate, high‐fat regime that is protective against neurodegenerative diseases. However, the impact of KD on Parkinson's disease (PD) and its mechanisms remains unclear. 1‐Methyl‐4‐phenyl‐1,2,3,6‐tetrahydropyridine (MPTP)‐induced mouse model of PD was fed with KD for 8 weeks. Motor function and dopaminergic neurons were evaluated. Inflammation in the brain, plasma, and colon tissue were also measured. Fecal samples were assessed by 16S rDNA gene sequencing and untargeted metabolomics. We found that KD protected motor dysfunction, dopaminergic neuron loss, and inflammation in an MPTP mouse model of PD. 16S rDNA sequencing revealed that MPTP administration significantly increased Citrobacter, Desulfovibrio, and Ruminococcus, and decreased Dubosiella, whereas KD treatment reversed the dysbiosis. Meanwhile, KD regulated the MPTP‐induced histamine, N‐acetylputrescine, d‐aspartic acid, and other metabolites. Fecal microbiota transplantation using feces from the KD‐treated mice attenuated the motor function impairment and dopaminergic neuron loss in antibiotic‐pretreated PD mice. Our current study demonstrates that KD played a neuroprotective role in the MPTP mouse model of PD through the diet–gut microbiota–brain axis, which may involve inflammation in the brain and colon. However, future research is warranted to explore the explicit anti‐inflammatory mechanisms of the gut–brain axis in PD models fed with KD.
Corporate social responsibility and endogenous competition structure in an industry composed of firms with generalized biased managers
Authors: Nakamura Yasuhiko 
Published: May 2023

AbstractThis paper revisits the endogenous choice between strategies (price and quantity) in a duopoly of firms inclined towards corporate social responsibility (CSR) with generalized biased managers. We primarily focus on the situation where managers evaluate the market size based on the weighted sum of their types. We show that when the weight on each manager's type is fixed, the area on the degrees of importance of CSR, such that Cournot competition can be observed in equilibrium, becomes larger as the degree of homogeneity between the goods produced by CSR firms increases.
Histone deacetylase‐based dual targeted inhibition in multiple myeloma
Authors: Ferro Angelica , Pantazaka Evangelia , Athanassopoulos Constantinos M. , Cuendet Muriel 
Published: May 2023

AbstractDespite enormous advances in terms of therapeutic strategies, multiple myeloma (MM) still remains an incurable disease with MM patients often becoming resistant to standard treatments. To date, multiple combined and targeted therapies have proven to be more beneficial compared to monotherapy approaches, leading to a decrease in drug resistance and an improvement in median overall survival in patients. Moreover, recent breakthroughs highlighted the relevant role of histone deacetylases (HDACs) in cancer treatment, including MM. Thus, the simultaneous use of HDAC inhibitors with other conventional regimens, such as proteasome inhibitors, is of interest in the field. In this review, we provide a general overview of HDAC‐based combination treatments in MM, through a critical presentation of publications from the past few decades related to in vitro and in vivo studies, as well as clinical trials. Furthermore, we discuss the recent introduction of dual‐inhibitor entities that could have the same beneficial effects as drug combinations with the advantage of having two or more pharmacophores in one molecular structure. These findings could represent a starting‐point for both reducing therapeutic doses and lowering the risk of developing drug resistance.