bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Computational Study on Closed‐Shell Molecular HexafluoridesMF6(M=S, Se, Te, Po, Xe, Rn, Cr, Mo, W, U) – Molecular Structure, Anharmonic Frequency Calculations, and Prediction of the NdF6Molecule
Authors: Graubner Tim , Karttunen Antti J. , Kraus Florian 
Published: January 2023

AbstractQuantum chemical methods were used to study the molecular structure and anharmonic IR spectra of the experimentally known closed‐shell molecular hexafluoridesMF6(M=S, Se, Te, Xe, Mo, W, U). First, the molecular structures and harmonic frequencies were investigated using Density Functional Theory (DFT) with all‐electron basis sets and explicitly considering the influence of spin‐orbit coupling. Second, anharmonic frequencies and IR intensities were calculated with the CCSD(T) coupled cluster method and compared, where available, with IR spectra recorded by us. These comparisons showed satisfactory results. The anharmonic IR spectra provide means for identifying experimentally too little studied or unknownMF6molecules withM=Cr, Po, Rn. To the best of our knowledge, we predict the NdF6molecule for the first time and show it to be a true local minimum on the potential energy surface. We used intrinsic bond orbital (IBO) analyses to characterize the bonding situation in comparison with the UF6molecule.
Stemness‐related genes revealed by single‐cell profiling of naïve and stimulated human CD34+ cells from CB and mPB
Authors: Dong Guoyi , Xu Xiaojing , Li Yue , Ouyang Wenjie , Zhao Weihua , Gu Ying , Li Jie , Liu Tianbin , Zeng Xinru , Zou Huilin , Wang Shuguang , Chen Yue , Liu Sixi , Sun Hai‐Xi , Liu Chao 
Published: January 2023

AbstractBackgroundHematopoietic stem cells (HSCs) from different sources show varied repopulating capacity, and HSCs lose their stemness after long‐time ex vivo culture. A deep understanding of these phenomena may provide helpful insights for HSCs.MethodsHere, we applied single‐cell RNA‐seq (scRNA‐seq) to analyse the naïve and stimulated human CD34+ cells from cord blood (CB) and mobilised peripheral blood (mPB).ResultsWe collected over 16 000 high‐quality single‐cell data to construct a comprehensive inference map and characterised the HSCs under a quiescent state on the hierarchy top. Then, we compared HSCs in CB with those in mPB and HSCs of naïve samples to those of cultured samples, and identified stemness‐related genes (SRGs) associated with cell source (CS‐SRGs) and culture time (CT‐SRGs), respectively. Interestingly, CS‐SRGs and CT‐SRGs share genes enriched in the signalling pathways such as mRNA catabolic process, translational initiation, ribonucleoprotein complex biogenesis and cotranslational protein targeting to membrane, suggesting dynamic protein translation and processing may be a common requirement for stemness maintenance. Meanwhile, CT‐SRGs are enriched in pathways involved in glucocorticoid and corticosteroid response that affect HSCs homing and engraftment. In contrast, CS‐SRGs specifically contain genes related to purine and ATP metabolic process, which is crucial for HSC homeostasis in the stress settings. Particularly, when CT‐SRGs are used as reference genes for the construction of the development trajectory of CD34+ cells, lymphoid and myeloid lineages are clearly separated after HSCs/MPPs. Finally, we presented an application through a small‐scale drug screening using Connectivity Map (CMap) against CT‐SRGs. A small molecule, cucurbitacin I, was found to efficiently expand HSCs ex vivo while maintaining its stemness.ConclusionsOur findings provide new perspectives for understanding HSCs, and the strategy to identify candidate molecules through SRGs may be applicable to study other stem cells.
Recent study progress of underwater sound absorption coating
Authors: Zhang Zhicheng , Zhao Yanbiao , Gao Nansha 
Published: January 2023

AbstractBased on the recent development of underwater sound absorption coatings, this paper analyzes the evolution of underwater sound absorption coatings from two aspects: traditional structures and metamaterials. The traditional structures are divided into three types: cavity structures, composite structures, and impedance‐matching structures. First, the development history of traditional structures, from cavities to hybrid structures, is presented, and the optimization and recent improvements in sound absorption fundamentals are explained. For different types of structures, the sound absorption effects of their respective structures are presented. At the same time, recent development progress of underwater coating metamaterials is summarized, and the sound absorption fundamentals and effects of local and nonlocal resonance types are compared. In addition, typical underwater sound absorption metamaterials are described in detail, and the application prospect of the acoustic bubble structure in practice is summarized. Moreover, this paper compares and discusses various structural types of underwater sound absorption coatings and points out the shortcomings of recent related research. Finally, it points out current open issues in the field and suggests future development directions of underwater sound absorption coatings, defining the possible development focus of underwater sound absorption coatings.
Forecasting inflation: The use of dynamic factor analysis and nonlinear combinations
Authors: Hall Stephen G. , Tavlas George S. , Wang Yongli 
Published: January 2023

AbstractThis paper considers the problem of forecasting inflation in the United States, the euro area, and the United Kingdom in the presence of possible structural breaks and changing parameters. We examine a range of moving window techniques that have been proposed in the literature. We extend previous works by considering factor models using principal components and dynamic factors. We then consider the use of forecast combinations with time‐varying weights. Our basic finding is that moving windows do not produce a clear benefit to forecasting. Time‐varying combination of forecasts does produce a substantial improvement in forecasting accuracy.
Phytochemical profiling, antimicrobial, and antioxidant activities of hydroethanolic extracts of prickly pear (Opuntia ficus indica) fruit and pulp
Authors: Iftikhar Khansa , Siddique Farzana , Ameer Kashif , Arshad Muhammad , Kharal Sadia , Mohamed Ahmed Isam A. , Yasmin Zarina , Aziz Nida 
Published: January 2023

AbstractPhenolic compounds in prickly pear [Opuntia ficus indica (L.) Mill.] are known to contribute to the antioxidant and antimicrobial activities of the prickly pear. The present study aimed to evaluate the antioxidants and in vitro antimicrobial potential in the hydroethanolic extracts of different parts (fruit, cladode, and pulp) of prickly pear. Different polyphenolic compounds were analyzed by using high‐performance liquid chromatography. The results indicated that cladode possessed a higher quantity of phenolics compared with that observed in fruit and pulp. The most important phenolic compound in high quantity was gallic acid (66.19 μg/g) in cladode. The 100% aqueous extract of cladode exhibited the highest antioxidant (92%) and antimicrobial activities against Salmonella typhi (3.40 mg/ml), Helicobacter pylori (1.37 mg/ml), Escherichia coli (1.41 mg/ml), and Staphylococcus aureus (1.41 mg/ml). Principal component analysis (PCA) indicated that antioxidant activity and minimum inhibitory concentration (MIC) responses had a significant negative correlation with each other. Overall, the current results provided basic data for choosing prickly pear cladode with high antioxidant capacity for the development and consumption of antioxidant‐based alternative medicines and value addition of formulated foods.
The etiological effect and genetic risk of +252 A/G variant of TNF‐β gene related to the susceptibility of urinary tract infection in a sample of Iraqi patients with type 2 diabetes: A case control study
Authors: Abdulfattah Shaimaa Y. , Samawi Farah T. 
Published: January 2023

AbstractBackground and aimUrinary tract infection (UTI) is the most common infection in type 2 diabetes patients. TNF‐β is a cytokine with multiple functions in immunomodulatory and inflammatory mechanisms. The variation at position +252 A/G of TNF‐β impacts both gene expression and plasma concentration of TNF‐β proteins. The findings may shed light on the genetic factors that predispose diabetic patients in Iraq to UTIs.MethodsA total of 200 individuals were divided into 100 patients with type 2 diabetes, categorized according to UTI, and 100 control subjects. Genetic analysis of +252 A/G of the TNF‐β gene was carried out using the TaqMan probe allele discrimination method. The level of TNF‐β was estimated by the ELISA technique.ResultsIn the recessive model (GG vs. AA/AG) of TNF‐β + 252 A/G in T2D/UTI patients compared to controls, a significant association p = 0.029 (OR: 2.8; CI 95% = 1.14–7.09): E = 15.6% was observed. Furthermore, in T2D patients without UTI, the dominant model AA versus AG/GG was associated with a preventive role P: 31.3% (OR: 0.4; CI 95% = 0.22–0.88) and a p value = (0.02). Overall, AG proportions showed a high level of TNF‐β within the control group p = 0.03, while all proportions of the +252 A/G showed significant differences in TNF‐β level between groups p ≤ 0.05. Pearson's correlation analysis observed a link between TNF‐ levels, fasting plasma glucose (FPG), and HbA1c.ConclusionIn T2D patients, the G allele may be linked to a higher probability of UTI, as well as an increased level of TNF‐β in a genotype‐dependent manner.
Postgraduate year 1 pharmacy residency equivalency—2023
Authors: Bookstaver P. Brandon , Bodan Samantha , Chamberlin Kevin W. , Hake Kelsey L. , Hong Lisa , Kabbani Racha , McCormick Alex , Morris Jennifer , Schumacher Christine , Thompkins April , Tschumper Emily , Weaver Ashley , White Sarah E. , Hemstreet Brian A. 
Published: January 2023

AbstractThe American College of Clinical Pharmacy (ACCP) supports the completion of residency training as a prerequisite for direct patient care responsibilities. The current supply of pharmacy residency opportunities, however, does not match the demand, causing many graduates to enter the workforce directly after completing their pharmacy school training. Many pharmacists may then desire to transition into a clinical position leveraging the versatility of the Pharm.D. degree and the expanding opportunities in the profession. Without residency training, however, these candidates may be disadvantaged or find it difficult to justify their experience matches that of their residency‐trained colleagues for a clinical pharmacist position. The college recognizes the usefulness of and potential need for a pharmacy residency equivalency to assist both pharmacists seeking further advancement and employers recruiting clinical pharmacists to provide direct patient care. The pharmacy residency equivalency should be standardized and demonstrate achievements in clinical pharmacist competency areas. This white paper from the ACCP Publications Committee provides updated considerations for components of a standardized pharmacy residency equivalency.
Informal socialization in virtual work environments: Creating a digital culture of connectivity
Authors: Cimperman Stephanie 
Published: January 2023

AbstractVirtual work environments are increasing and are part of the future of many organizations. While there are extensive advantages to virtual organizations, barriers to effective communication and collaboration build organizational reluctance to commit to this type of environment. The problem is little knowledge exists around how employees socialize informally in these organizations, including how they learn company culture, engage, and share knowledge using digital communication technology. This study presents an exploration of the experiences of participants working virtually in the insurance industry. The aim was to understand what it takes to increase informal socialization in virtual work settings. Data collection included interviews and diary entries from insurance employees. Five themes emerged: Employee's emotions vary based on their levels of connectivity, Staying connected enables employees to maintain bonds and unity, Multi‐communicating is an effective technique to get work done, Digital communication technology makes connecting easy, and Creating an office‐like atmosphere is possible by establishing a culture of connectivity. Creating a digital culture conducive to informal socialization between employees promotes positivity, bonds and unity, ease of connectivity and productivity, promotes culture, and can produce an office‐like atmosphere. Recommendations produced from these themes may be used to guide leaders in the engagement of virtual workers and in tackling the challenges of managing effective virtual environments.
Stable CO2/water foam stabilized by dilute surface‐modified nanoparticles and cationic surfactant at high temperature and salinity
Authors: Hatchell Daniel , Chen Xiongyu , Daigle Hugh , Hartmann Matthew , Ordonez‐Varela John‐Richard , Blondeau Christophe , Johnston Keith 
Published: January 2023

AbstractCO2 enhanced oil recovery and storage could see widespread deployment as decarbonization efforts accelerate to meet climate goals. CO2 is more efficiently distributed underground as a viscous foam than as pure CO2; however, most reported CO2 foams are unstable at harsh reservoir conditions (22 wt% brine, 2200 psi, and 80°C). We hypothesize that silica nanoparticles (NP) grafted with (3‐trimethoxysilylpropyl)diethylenetriamine ligands (N3), to improve colloidal stability, and dimethoxydimethylsilane ligands (DM), to improve CO2‐phillicity, combined with the cationic surfactant N1‐alkyl‐N3, N3‐dimethylpropane‐1,3‐diamine (RCADA), will develop viscous, stable CO2 foams at reservoir conditions. We grafted NP with N3 and DM ligands. We verified NP stability at reservoir conditions with measurements of zeta potential, amine titration curves, and NP diameter. We measured NP water contact angles (θw) at the water–air and water–liquid CO2 interfaces. In a high‐temperature, high‐pressure flow apparatus, we calculated the viscosity of CO2 foams across a beadpack and determined static foam stability with microscope observations. Modified NP were colloidally stable at reservoir conditions for 4 weeks, and had higher θw in liquid CO2 than in air. Addition of at least 0.5 μmol/m2 DM silane (0.5DM) greatly improved foam stability. RCADA‐only foam coarsening rates (dDSM3/dt) decreased 16–17× after adding 1 wt/vol% 8N3 + 1.5DM NP, and 5–10× with a 0.1–1 vol/vol% increase in RCADA concentration (with or without NP). 1 vol/vol% RCADA foam exhibited coarsening rates of 900 and 2400 μm3/min with 1 and 0.2 wt/vol% 8N3 + 1.5DM NP, respectively. These results demonstrate impressive foam stabilities at harsh reservoir conditions.
Superior Laryngeal Nerve Block Response Rates in 54 Neurogenic Cough Patients
Authors: Talbot Nicholas , Heller Margaret , Nyirjesy Sarah , Kim Brandon , DeSilva Brad , Matrka Laura 
Published: January 2023

ObjectiveNeurogenic cough related to hypersensitivity of the internal branch of the superior laryngeal nerve (SLN) is often treated with neuromodulating medications, which can cause considerable side effects. An alternative therapy is steroid and local anesthetic injection of the SLN (“SLN block”), initially proposed to benefit those with lateralizing symptoms (tenderness over the thyrohyoid membrane or unilateral cough source). Our objectives are to determine if SLN block produces subjective symptomatic improvements and if repeat injections further improve symptoms, and evaluate clinical factors potentially predictive of response.MethodsRetrospective chart review of 54 patients receiving SLN blocks at a tertiary medical academic center from January 2010 to June 2020. Medical history and anticipated predictors of positive response, including stigmata of laryngeal hypersensitivity, were recorded. Outcomes included symptomatic response, number of injections required, and side effects. Response was defined subjectively by asking patients whether the injection was beneficial and objectively by using CSI scores.ResultsFifty‐four patients met the inclusion criteria. Thirty‐eight patients (70.4%) endorsed improvement. No variables were identified as positive predictors of response. Thirty‐two of the 38 (84.2%) endorsed improvement after one injection. Six of 15 (40%) patients who failed the first injection had positive response to the second. No significant side effects were reported.ConclusionNo localizing symptoms, specific cough features, or aspects of the medical history helped predict response, suggesting that a broader range of patients may be offered the intervention. The majority of patients reported symptomatic improvement and repeat injections may benefit patients with initial nonresponse.Level of Evidence4 Laryngoscope, 133:2647–2653, 2023
Management of donor‐site complications after breast reconstruction with the transverse musculocutaneous gracilis flap: Proposal of a treatment algorithm
Authors: Mahrhofer Maximilian , Russe Elisabeth , Schoeller Thomas , Wechselberger Gottfried , Weitgasser Laurenz 
Published: January 2023

AbstractBackgroundThe transverse myocutaneous gracilis (TMG) flap is a popular choice for autologous breast reconstruction due to its consistent anatomy and reliability, especially for slim patients. While the incidence of donor‐site morbidity is comparable with other free flaps, there is no literature about the management of donor‐site complications available. Our study aims to provide an overview of encountered complications, associated risk factors and their management using a standardized algorithmic approach.MethodsA retrospective review of all patients receiving breast reconstruction with a TMG flap at our institution between September 2010 and May 2021 was performed. Demographic data (age, BMI), comorbidities (diabetes, smoking), complication rates (major, minor) and treatment were evaluated. Medical records were screened for reasons and timing of performed reconstructions. Adapted from the Clavien‐Dindo classification system, severity of complication was categorized as either class I–II minor or class IIIa–IIIb major. Data on follow‐up procedures was collected. A treatment algorithm for the management of commonly occurring donor‐site complications was created, based on our long‐running institutional experience.ResultsTwo‐hundred and twenty‐five patients (288 flaps) were included in our retrospective analysis. There were 43 (14.9%) minor and 4 (2.7%) major donor‐site complications overall. Minor complications included superficial wound breakdown (26/9%), infection (10 cases, 3.5%) and hematoseroma (7 cases, 2.4%). Hematoseroma (2 cases, 0.7%) and severe wound breakdown (2 cases, 0.7%) needing revision surgery were the most common major complications. Patients with lower BMI (mean 22.9 kg/m2 vs. 24.0 kg/m2; p = .047) and active tobacco use (14.1% vs. 6.3%; p = .046; Relative risk = 1.71 95% CI 1.02–2.88) had a higher occurrence of donor‐site complications. Age and operating time were not associated with higher complication rates. Four patients (1.4%) received donor‐site refinement surgery.ConclusionThe TMG flap provides a reliable and safe alternative for breast reconstruction and most donor‐site complications can be managed conservatively. Our proposed treatment algorithm aids with decision making in the management of donor‐site complications.
Multi‐echo MR thermometry in the upper leg at 7 T using near‐harmonic 2D reconstruction for initialization
Authors: Kikken Mathijs W. I. , Steensma Bart R. , van den Berg Cornelis A. T. , Raaijmakers Alexander J. E. 
Published: January 2023

PurposeThe aim of this work is the development of a thermometry method to measure temperature increases in vivo, with a precision and accuracy sufficient for validation against thermal simulations. Such an MR thermometry model would be a valuable tool to get an indication on one of the major safety concerns in MR imaging: the tissue heating occurring due to radiofrequency (RF) exposure. To prevent excessive temperature rise, RF power deposition, expressed as specific absorption rate, cannot exceed predefined thresholds. Using these thresholds, MRI has demonstrated an extensive history of safe usage. Nevertheless, MR thermometry would be a valuable tool to address some of the unmet needs in the area of RF safety assessment, such as validation of specific absorption rate and thermal simulations, investigation of local peak temperatures during scanning, or temperature‐based safety guidelines.MethodsThe harmonic initialized model‐based multi‐echo approach is proposed. The method combines a previously published model‐based multi‐echo water/fat separated approach with an also previously published near‐harmonic 2D reconstruction method. The method is tested on the human thigh with a multi‐transmit array at 7 T, in three volunteers, and for several RF shims.ResultsPrecision and accuracy are improved considerably compared to a previous fat‐referenced method (precision: 0.09 vs. 0.19°C). Comparison of measured temperature rise distributions to subject‐specific simulated counterparts show good relative agreement for multiple RF shim settings.ConclusionThe high precision shows promising potential for validation purposes and other RF safety applications.
The experiences of uncertainty amongst musculoskeletal physiotherapists in first contact practitioner roles within primary care
Authors: Ingram Simon , Stenner Rob , May Sue 
Published: January 2023

AbstractAimThe aim of this research was to explore the experiences of uncertainty amongst Musculoskeletal First Contact Practitioners working in primary care.BackgroundThe Musculoskeletal First Contact Practitioner role involves advanced physiotherapists providing an alternative to the GP by acting as first point of contact for people presenting to primary care with musculoskeletal conditions. Limited research into the role exists but the first‐contact aspect, clinical complexity and time pressures are deemed to contribute to uncertainty within the role.MethodA qualitative research design was undertaken using a hermeneutic interpretative phenomenological approach. Data was collected using semi‐structured interviews with subsequent thematic analysis of the data.FindingsEight participants working as Musculoskeletal First Contact Practitioners across England were recruited using purposive sampling. Five themes were identified: (1) Role clarity within primary care, (2) Burden of responsibility, (3) Preparedness for the primary care environment, (4) ‘I'm not really sure how long I am going to stay in this role’, (5) Mitigating uncertainty.ConclusionThis study demonstrates the multifaceted phenomenon of uncertainty amongst Musculoskeletal First Contact Practitioners. Uncertainty appeared to be influenced by the primary care environment, preparedness for the role and perceived burden of responsibility. Diagnostic uncertainty was prevalent with concerns of missing serious pathology evident. The impact of uncertainty on wellbeing was linked to possible burnout and retention issues. Consultation approaches, access to support networks and a cultural shift in tolerating uncertainty were reported to mitigate uncertainty. Further research into possible differences in experiences related to employment models appears warranted.