bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating the physicochemical properties, structural attributes, and molecular dynamics of organic–inorganic hybrid [NH3(CH2)2NH3]2CdBr4·2Br crystals
Authors: Lim Ae Ran 
Published: April 2023

AbstractAn in-depth understanding of the physicochemical properties of the organic–inorganic hybrid [NH3(CH2)2NH3]2CdBr6 whose structure corresponds to the formulation [NH3(CH2)2NH3]2CdBr4· 2Br is essential for its application in batteries, supercapacitors, and fuel cells. Therefore, this study aimed to determine the crystal structure, phase transition, structural geometry, and molecular dynamics of these complexes. Considering its importance, a single crystal of [NH3(CH2)2NH3]2CdBr6 was grown; the crystal structure was found to be monoclinic. The phase transition temperatures were determined to be 443, 487, 517, and 529 K, and the crystal was thermally stable up to 580 K. Furthermore, the 1H, 13C, 14N, and 113Cd NMR chemical shifts caused by the local field surrounding the resonating nucleus of the cation and anion varied with increasing temperature, along with the surrounding environments of their atoms. In addition, 1H spin–lattice relaxation time T1ρ and 13C T1ρ, which represent the energy transfer around the 1H and 13C atoms of the cation, respectively, varied significantly with temperature. Consequently, changes in the coordination geometry of Br around Cd in the CdBr6 anion and the coordination environment around N (in the cation) were associated with changes in the N–H···Br hydrogen bond. The structural geometry revealed critical information regarding their basic mechanism of organic–inorganic hybrid compounds.
The impact of Charlson Comorbidity Index on surgical complications and reoperations following simultaneous bilateral total knee arthroplasty
Authors: Lee Kun-Han , Chang Wei-Lin , Tsai Shang-Wen , Chen Cheng-Fong , Wu Po-Kuei , Chen Wei-Ming 
Published: April 2023

AbstractSimultaneous bilateral total knee arthroplasty (TKA) might be associated with higher postoperative morbidity and mortality rates compared with staged bilateral TKA. However, risk factors for surgical complications and reoperations following simultaneous bilateral TKA remain elusive. We conducted this retrospective, single-surgeon case series from 2010 through 2019. A total of 1561 patients who underwent simultaneous bilateral TKA procedures were included. The outcome domains included 30-day and 90-day readmission events for medical or surgical complications and 1-year reoperation events. We performed logistic regression analysis and backward stepwise selection to identify possible risk factors, including age, sex, body mass index, diabetes mellitus (DM), rheumatoid arthritis, American Society of Anesthesiologist (ASA) classification, Charlson Comorbidity Index (CCI), receiving venous thromboembolism (VTE) prophylaxis, or blood transfusion. The overall 30-day, 90-day readmission, and 1-year reoperation rates were 2.11%, 2.88%, and 1.41%, respectively. Higher CCI score (CCI = 4+) was a risk factor for 90-day readmission (aOR: 2.783; 95% CI 0.621–12.465), 90 day readmission for surgical complications (aOR: 10.779; 95% CI 1.444–80.458), and 1 year reoperation (aOR: 4.890; 95% CI 0.846–28.260). Other risk factors included older age, higher ASA level, DM, and receiving VTE prophylaxis. In conclusion, high CCI scores were associated with increased risks of surgical complications and reoperations following simultaneous bilateral TKA procedures.
Larger left hippocampal presubiculum is associated with lower risk of antisocial behavior in healthy adults with childhood conduct history
Authors: Abdolalizadeh AmirHussein , Moradi Kamyar , Dabbagh Ohadi Mohammad Amin , Mirfazeli Fatemeh Sadat , Rajimehr Reza 
Published: April 2023

AbstractConduct Disorder (CD) is defined as aggressive, antisocial, and rule-breaking behavior during childhood. It is a major risk factor for developing antisocial personality disorder (ASPD) in adulthood. However, nearly half the CDs do not develop ASPD. Identification of reversion factors seems crucial for proper interventions. We identified 40 subjects with childhood history of CD (CC) and 1166 control subjects (HC) from Human Connectome Project. Their psychiatric, emotional, impulsivity, and personality traits were extracted. An emotion recognition task-fMRI analysis was done. We also did subregion analysis of hippocampus and amygdala in 35 CC and 69 demographically matched HCs. CC subjects scored significantly higher in antisocial-related evaluations. No differences in task-fMRI activation of amygdala and hippocampus were observed. CCs had larger subfields of the left hippocampus: presubiculum, CA3, CA4, and dentate gyrus. Further, an interaction model revealed a significant presubiculum volume × group association with antisocial, aggression, and agreeableness scores. Our study shows that healthy young adults with a prior history of CD still exhibit some forms of antisocial-like behavior with larger left hippocampal subfields, including presubiculum that also explains the variability in antisocial behavior. These larger left hippocampal subfield volumes may play a protective role against CD to ASPD conversion.
Method-comparison study between a watch-like sensor and a cuff-based device for 24-h ambulatory blood pressure monitoring
Authors: Proença Martin , Ambühl Jeremias , Bonnier Guillaume , Meister Théo A. , Valentin Jérémy , Soria Rodrigo , Ferrario Damien , Lemay Mathieu , Rexhaj Emrush 
Published: April 2023

AbstractThe use of 24-h ambulatory blood pressure monitoring (ABPM) has been continuously increasing over the last decades. However, cuff-based devices may cause discomfort, particularly at night, leading to potentially non-representative blood pressure (BP) values. We investigated the feasibility of a cuff-less BP monitoring solution in 67 subjects undergoing conventional 24-h ABPM. A watch-like optical sensor was attached at the upper arm or wrist at the contralateral side of the cuff. Systolic (SBP) and diastolic BP (DBP) values were estimated from the measured optical signals by pulse wave analysis. Average 24-h, daytime and nighttime BP values were compared between the conventional monitor and the cuff-less sensor. The differences between both methods—expressed as mean ± standard deviation (95% limits of agreement)—were of − 1.8 ± 6.2 mmHg (− 13.9, 10.3) on SBP and − 2.3 ± 5.4 mmHg (− 13.0, 8.3) on DBP for 24-h averages, of − 1.5 ± 6.6 mmHg (− 14.4, 11.4) on SBP and − 1.8 ± 5.9 mmHg (− 13.4, 9.9) on DBP for daytime averages, and of 0.4 ± 7.5 mmHg (− 14.4, 15.1) on SBP and − 1.3 ± 6.8 mmHg (− 14.7, 12.0) on DBP for nighttime averages. These results encouragingly suggest that cuff-less 24-h ABPM may soon become a clinical possibility.
Predictive factors for dissection-free sentinel node micrometastases in early oral squamous cell carcinoma
Authors: Matsuzuka Takashi , Tsukahara Kiyoaki , Yoshimoto Seiichi , Chikamatsu Kazuaki , Shiotani Akihiro , Oze Isao , Murakami Yoshiko , Shinozaki Takeshi , Enoki Yuichiro , Ohba Shinichi , Kawakita Daisuke , Hanai Nobuhiro , Koide Yusuke , Sawabe Michi , Nakata Yusuke , Fukuda Yujiro , Nishikawa Daisuke , Takano Gaku , Kimura Takahiro , Oguri Keisuke , Hirakawa Hitoshi , Hasegawa Yasuhisa 
Published: April 2023

AbstractThis sentinel node (SN) biopsy trial aimed to assess its effectiveness in identifying predictive factors of micrometastases and to determine whether elective neck dissection is necessary in oral squamous cell carcinoma. This retrospective study included 55 patients from three previous trials, with positive SNs. The relationship between the sizes of the metastatic focus and metastasis in non-sentinel node (NSN) was investigated. Four of the 55 largest metastatic focus were isolated tumor cells, and the remaining 51 were ranged from 0.2 to 15 mm, with a median of 2.6 mm. The difference of prevalence between 46 negative- and 9 positive-NSN was statistically significant with regard to age, long diameter of primary site and number of cases with regional recurrence. In comparing the size of largest metastatic focus dividing the number of positive SN, with metastaic focus range of < 3.0 mm in one-positive SN group, there were 18 (33%) negative-NSN and no positive-NSN. Regarding prognosis, 3-year overall survival rate of this group (n = 18) and other (n = 37) were 94% and 73% (p = 0.04), and 3-year recurrence free survival rate of this group and other were 94% and 51% (p = 0.03), respectively. Absolutely a further prospective clinical trial would be needed, micrometastases may be defined as solitary SN metastasis with < 3.0 mm of metastatic focus, and approximately 33% of neck dissections could be avoided using these criteria.
Triclustering-based classification of longitudinal data for prognostic prediction: targeting relevant clinical endpoints in amyotrophic lateral sclerosis
Authors: Soares Diogo F. , Henriques Rui , Gromicho Marta , de Carvalho Mamede , Madeira Sara C. 
Published: April 2023

AbstractThis work proposes a new class of explainable prognostic models for longitudinal data classification using triclusters. A new temporally constrained triclustering algorithm, termed TCtriCluster, is proposed to comprehensively find informative temporal patterns common to a subset of patients in a subset of features (triclusters), and use them as discriminative features within a state-of-the-art classifier with guarantees of interpretability. The proposed approach further enhances prediction with the potentialities of model explainability by revealing clinically relevant disease progression patterns underlying prognostics, describing features used for classification. The proposed methodology is used in the Amyotrophic Lateral Sclerosis (ALS) Portuguese cohort (N = 1321), providing the first comprehensive assessment of the prognostic limits of five notable clinical endpoints: need for non-invasive ventilation (NIV); need for an auxiliary communication device; need for percutaneous endoscopic gastrostomy (PEG); need for a caregiver; and need for a wheelchair. Triclustering-based predictors outperform state-of-the-art alternatives, being able to predict the need for auxiliary communication device (within 180 days) and the need for PEG (within 90 days) with an AUC above 90%. The approach was validated in clinical practice, supporting healthcare professionals in understanding the link between the highly heterogeneous patterns of ALS disease progression and the prognosis.
Optimum scavenger concentrations for sonochemical nanoparticle synthesis
Authors: Hansen Henrik E. , Seland Frode , Sunde Svein , Burheim Odne S. , Pollet Bruno G. 
Published: April 2023

AbstractMaintaining nanoparticle properties when scaling up a chemical synthesis is challenging due to the complex interplay between reducing agents and precursors. A sonochemical synthesis route does not require the addition of reducing agents as they are instead being continuously generated in-situ by ultrasonic cavitation throughout the reactor volume. To optimize the sonochemical synthesis of nanoparticles, understanding the role of radical scavengers is paramount. In this work we demonstrate that optimum scavenger concentrations exist at which the rate of Ag-nanoparticle formation is maximized. Titanyl dosimetry experiments were used in conjunction with Ag-nanoparticle formation rates to determine these optimum scavenger concentrations. It was found that more hydrophobic scavengers require lower optimum concentrations with 1-butanol < 2-propanol < ethanol < methanol < ethylene glycol. However, the optimum concentration is shifted by an order of magnitude towards higher concentrations when pyrolytic decomposition products contribute to the reduction. The reduction rate is also enhanced considerably.
High specific surface area γ-Al2O3 nanoparticles synthesized by facile and low-cost co-precipitation method
Authors: Gholizadeh Zahra , Aliannezhadi Maryam , Ghominejad Mehrdad , Tehrani Fatemeh Shariatmadar 
Published: April 2023

AbstractAlumina (Al2O3) nanoparticles (NPs) are particularly adsorbent NPs with a high specific surface area (SSA) that may well be utilized to clean water. In this study, pure γ-alumina NPs are successfully synthesized by the co-precipitation method, and the effect of ammonium bicarbonate concentration on the synthesized NPs is studied to find the optimum concentration to provide the highest capacity of copper ions removal from water. The results declare that spherical alumina NPs with average diameters in the range of 19–23 nm are formed with different concentrations of precipitation agent, and the concentration has no significant effect on the morphology of NPs. Furthermore, the precipitating agent concentration influences the optical characteristics of the produced alumina NPs, and the bandgap energies of the samples vary between 4.24 and 5.05 eV. The most important impact of precipitating agent concentrations reflects in their SSA and capacity for copper ion removal Ultra-high SSA = 317 m2/g, and the highest copper removal at the adsorbate concentration of 184 mg/L is achieved in an alkalis solution followed by a neutral solution. However, admirable copper removal of 98.2% is even achieved in acidic solutions with 0.9 g/L of the alumina NPs synthesized at a given concentration of ammonium bicarbonate, so this sample can be a good candidate for Cu ions removal from acidic wastewater.
SYNDEEP: a deep learning approach for the prediction of cancer drugs synergy
Authors: Torkamannia Anna , Omidi Yadollah , Ferdousi Reza 
Published: April 2023

AbstractDrug combinations can be the prime strategy for increasing the initial treatment options in cancer therapy. However, identifying the combinations through experimental approaches is very laborious and costly. Notably, in vitro and/or in vivo examination of all the possible combinations might not be plausible. This study presented a novel computational approach to predicting synergistic drug combinations. Specifically, the deep neural network-based binary classification was utilized to develop the model. Various physicochemical, genomic, protein–protein interaction and protein-metabolite interaction information were used to predict the synergy effects of the combinations of different drugs. The performance of the constructed model was compared with shallow neural network (SNN), k-nearest neighbors (KNN), random forest (RF), support vector machines (SVMs), and gradient boosting classifiers (GBC). Based on our findings, the proposed deep neural network model was found to be capable of predicting synergistic drug combinations with high accuracy. The prediction accuracy and AUC metrics for this model were 92.21% and 97.32% in tenfold cross-validation. According to the results, the integration of different types of physicochemical and genomics features leads to more accurate prediction of synergy in cancer drugs.
Telocytes and ezrin expression in normal-appearing tissues adjacent to urothelial bladder carcinoma as predictors of invasiveness and recurrence
Authors: Wishahi Mohamed , Hassan Sarah , Hassan Marwa , Badawy Mohamed , Hafiz Ehab 
Published: April 2023

AbstractRecurrence and progression rates vary widely among different histological subtypes of bladder cancer (BC). Normal-appearing mucosa in non-muscle invasive bladder cancer and muscle-invasive bladder cancer in cystoscopy and histopathology is a factor in staging and treatment. Telocytes (TCs) are spindle-shaped cells that connect with other cell types allowing communication though cytoskeletal signaling. They are involved in tissue regeneration and pathogenesis of diseases and cancer. In this study, 12 normal-appearing tissues from urinary bladder with BC, both invasive and non-invasive were evaluated in patients who had either trans-urethral resection of bladder tumor or cystectomy. In each case, cystoscopy, intraoperative inspection, and histopathology all confirmed the absence of cancerous elements. Five patients with neurogenic bladder were used as a control group. Immunohistochemistry revealed that c-Kit + cells were intensively distributed in bladder layers from BC samples, while they were seldom detected in the control group. Ultrastructural examination of reprocessed tissue showed an intense distribution of TCs and telopodes in the submucosa and between smooth muscle cells in BC. Telopodes were numerous, arborizing, and intercommunicating. Whereas TCs and telopodes were scarce in the neurogenic bladder. Also, cancerous tissue had the highest expression level of ezrin protein, and this level gradually decreased as we moved away from the tumor. Our finding of TCs number in normal-appearing tissues in conjunction with ezrin expression may compete invasiveness and possibly a trail to reduce recurrence rates.
Vessel noise exposures of harbour seals from the Wadden Sea
Authors: Nachtsheim Dominik André , Johnson Mark , Schaffeld Tobias , van Neer Abbo , Madsen Peter T. , Findlay Charlotte R. , Rojano-Doñate Laia , Teilmann Jonas , Mikkelsen Lonnie , Baltzer Johannes , Ruser Andreas , Siebert Ursula , Schnitzler Joseph G. 
Published: April 2023

AbstractThe North Sea faces intense ship traffic owing to increasing human activities at sea. As harbour seals (Phoca vitulina) are abundant top predators in the North Sea, it is hypothesised that they experience repeated, high-amplitude vessel exposures. Here, we test this hypothesis by quantifying vessel noise exposures from deployments of long-term sound and movement tags (DTAGs) on nine harbour seals from the Wadden Sea. An automated tool was developed to detect intervals of elevated noise in the sound recordings. An assessment by multiple raters was performed to classify the source as either vessels or other sounds. A total of 133 vessel passes were identified with received levels > 97 dB re 1µPa RMS in the 2 kHz decidecade band and with ambient noise > 6 dB below this detection threshold. Tagged seals spent most of their time within Marine Protected Areas (89 ± 13%, mean ± SD) and were exposed to high-amplitude vessel passes 4.3 ± 1.6 times per day. Only 32% of vessel passes were plausibly associated with an AIS-registered vessel. We conclude that seals in industrialized waters are exposed repeatedly to vessel noise, even in areas designated as protected, and that exposures are poorly predicted by AIS data.
Sensory fusion in the hoverfly righting reflex
Authors: Verbe Anna , Martinez Dominique , Viollet Stéphane 
Published: April 2023

AbstractWe study how falling hoverflies use sensory cues to trigger appropriate roll righting behavior. Before being released in a free fall, flies were placed upside-down with their legs contacting the substrate. The prior leg proprioceptive information about their initial orientation sufficed for the flies to right themselves properly. However, flies also use visual and antennal cues to recover faster and disambiguate sensory conflicts. Surprisingly, in one of the experimental conditions tested, hoverflies flew upside-down while still actively flapping their wings. In all the other conditions, flies were able to right themselves using two roll dynamics: fast ($$\sim $$∼50ms) and slow ($$\sim $$∼110ms) in the presence of consistent and conflicting cues, respectively. These findings suggest that a nonlinear sensory integration of the three types of sensory cues occurred. A ring attractor model was developed and discussed to account for this cue integration process.
Perceiver and target partisanship shift facial trustworthiness effects on likability
Authors: Malloy Caraline S. , Hughes Colleen , Cassidy Brittany S. 
Published: April 2023

AbstractThe affective polarization characteristic of the United States’ political climate contributes to pervasive intergroup tension. This tension polarizes basic aspects of person perception, such as face impressions. For instance, face impressions are polarized by partisanship disclosure such that people form positive and negative impressions of, respectively, shared and opposing partisan faces. How partisanship interacts with other facial cues affecting impressions remains unclear. Building on work showing that facial trustworthiness, a core dimension of face perception, is especially salient for ingroup members, we reasoned that shared and opposing partisanship may also affect therelationbetween facial trustworthiness characteristics and subsequent likability impressions. A stronger positive relation emerged for shared versus opposing partisan faces across more conservative and liberal perceivers (Experiments 1 and 2). Exploratory analyses showed that this difference links to perceived partisan threat (Experiment 1) and that experimentally manipulating inter-party threat strengthened opposing partisan derogation and shared partisan enhancement patterns (Experiment 2). These findings suggest that partisanship extends from affecting overall face impressions of partisans to affecting the relation between a core dimension of face perception and subsequent impressions. These findings highlight the prevalence of partisanship effects in basic aspects of person perception and have implications for intergroup behavior.
G-protein coupled receptor 19 (GPR19) knockout mice display sex-dependent metabolic dysfunction
Authors: Mushala Bellina A. S. , Xie Bingxian , Sipula Ian J. , Stoner Michael W. , Thapa Dharendra , Manning Janet R. , Bugga Paramesha , Vandevender Amber M. , Jurczak Michael J. , Scott Iain 
Published: April 2023

AbstractG-protein coupled receptors (GPCRs) mediate signal transduction from the cellular surface to intracellular metabolic pathways. While the function of many GPCRs has been delineated previously, a significant number require further characterization to elucidate their cellular function. G-protein coupled receptor 19 (GPR19) is a poorly characterized class A GPCR which has been implicated in the regulation of circadian rhythm, tumor metastasis, and mitochondrial homeostasis. In this report, we use a novel knockout (KO) mouse model to examine the role of GPR19 in whole-body metabolic regulation. We show that loss of GPR19 promotes increased energy expenditure and decreased activity in both male and female mice. However, only male GPR19 KO mice display glucose intolerance in response to a high fat diet. Loss of GPR19 expression in male mice, but not female mice, resulted in diet-induced hepatomegaly, which was associated with decreased expression of key fatty acid oxidation genes in male GPR19 KO livers. Overall, our data suggest that loss of GPR19 impacts whole-body energy metabolism in diet-induced obese mice in a sex-dependent manner.