bluuebunny/crossref_metadata_2025_split huggingface dataset:
Valence Delocalization and Metal–Metal Bonding in Carbon‐Bridged Mixed‐Valence Iron Complexes**
Authors: Fataftah Majed S. , Mercado Brandon Q. , Holland Patrick L. 
Published: August 2023

AbstractThe carbide ligand in the iron–molybdenum cofactor (FeMoco) in nitrogenase bridges iron atoms in different oxidation states, yet it is difficult to discern its ability to mediate magnetic exchange interactions due to the structural complexity of the cofactor. Here, we describe two mixed‐valent diiron complexes with C‐based ketenylidene bridging ligands, and compare the carbon bridges with the more familiar sulfur bridges. The ground state of the [Fe2(μ‐CCO)2]+ complex with two carbon bridges (4) is S=
, and it is valence delocalized on the Mössbauer timescale with a small thermal barrier for electron hopping that stems from the low Fe−C force constant. In contrast, one‐electron reduction of the [Fe2(μ‐CCO)] complex with one carbon bridge (2) affords a mixed‐valence species with a high‐spin ground state (S=
), and the Fe−Fe distance contracts by 1 Å. Spectroscopic, magnetic, and computational studies of the latter reveal an Fe−Fe bonding interaction that leads to complete valence delocalization. Analysis of near‐IR intervalence charge transfer transitions in 5 indicates a very large double exchange constant (B) in the range of 780–965 cm−1. These results show that carbon bridges are extremely effective at stabilizing valence delocalized ground states in mixed‐valent iron dimers.
μ2‐η1:η1‐N2 Bridged Bimetallic Dinitrogen Complexes: Geometry of the First Excited State in Connection to N2 π‐Photoactivation
Authors: Bhardwaj Akhil , Mondal Bhaskar 
Published: August 2023

AbstractBimetallic end‐on μ2‐η1:η1‐N2 bridging dinitrogen complexes have served as the platform for photochemical N2 activation, mainly for the N−N cleavage. However, the alternate N−N π‐photoactivation route has remained largely unexplored. This study strengthens the notion of weakening the N−N bond through the population of π* orbital upon electronic excitation from the ground to the first excited state using four prototypical complexes based on Fe (1), Mo (2), and Ru (3,4). The complexes 1–4 possess characteristic N−N π* based LUMO (π*‐π*‐π*) centered on their M−N−N−M core, which was earlier postulated to play a central role in the N2 photoactivation. Vertical electronic excitation of the highest oscillator strength involves transitions to the N−N π*‐based acceptor orbital (π*‐π*‐π*) in complexes 1–4. This induces geometry relaxation of the first excited metal‐to‐nitrogen (π*) charge transfer (1MNCT) state leading to a “zigzag” M−N−N−M core in the equilibrium structure. Obtaining the equilibrium geometry in the first excited state with the full‐sized complexes widens the scope of N−N π‐photoactivation with μ2‐η1:η1‐N2 bridging dinitrogen complexes. Promisingly, the elongated N−N bond and bent ∠MNN angle in the photoexcited S1 state of 1–4 resemble their radical‐ and di‐anion forms, which lead toward thermodynamically feasible N−N protonation in the S1 excited state.
Phosphatidylserin in der Hautpflege
Authors: Lautenschläger Hans 
Published: August 2023

ZusammenfassungVerfügbarkeit, Wirkung und Verträglichkeit von Inhaltsstoffen kosmetischer Präparate und topisch‐pharmazeutischer Zubereitungen spiegeln die Kooperation von Epidermis und Mikrobiom der Haut wider. Physiologische Komponenten in angemessenen Dosierungen bieten daher die beste Voraussetzung für nebenwirkungsfreie (Langzeit‐)Anwendungen.Wasser enthaltende Hautpflegemittel, dazu gehören unter anderem Öl‐in‐Wasser‐ (O/W) und Wasser‐in‐Öl‐ (W/O) Emulsionen, erfordern Hilfsstoffe, um die mikrobiologische, physikalische und chemische Stabilität der Produkte sicherzustellen. Hilfsstoffe belasten sowohl Haut als auch Mikrobiom. Wasserfreie Oleogele aus physiologisch kompatiblen und biologisch abbaubaren Komponenten kommen weitgehend ohne Hilfsstoffe aus. Phosphatidylserin, ein physiologischer Bestandteil pflanzlicher und humaner Zellmembranen, ist für die Mikrobiom‐kompatible kosmetische und indikationsbegleitende Hautpflege geeignet.
Fuzzy‐based unequal clustering protocol for underwater wireless sensor networks
Authors: Panchal Hetal , Gajjar Sachin 
Published: August 2023

SummaryUnderwater wireless sensor network (UWSN) is a network made up of underwater sensor nodes, anchor nodes, surface sink nodes or surface stations, and the offshore sink node. Energy consumption, limited bandwidth, propagation delay, high bit error rate, stability, scalability, and network lifetime are the key challenges related to underwater wireless sensor networks. Clustering is used to mitigate these issues. In this work, fuzzy‐based unequal clustering protocol (FBUCP) is proposed that does cluster head selection using fuzzy logic as it can deal with the uncertainties of the harsh atmosphere in the water. Cluster heads are selected using linguistic input variables like distance to the surface sink node, residual energy, and node density and linguistic output variables like cluster head advertisement radius and rank of underwater sensor nodes. Unequal clustering is used to have an unequal size of the cluster which deals with the problem of excess energy usage of the underwater sensor nodes near the surface sink node, called the hot spot problem. Data gathered by the cluster heads are transmitted to the surface sink node using neighboring cluster heads in the direction of the surface sink node. Dijkstra's shortest path algorithm is used for multi‐hop and inter‐cluster routing. The FBUCP is compared with the LEACH‐UWSN, CDBR, and FBCA protocols for underwater wireless sensor networks. A comparative analysis shows that in first node dies, the FBUCP is up to 80% better, has 64.86% more network lifetime, has 91% more number of packets transmitted to the surface sink node, and is up to 58.81% more energy efficient than LEACH‐UWSN, CDBR, and FBCA.
Autoimmune encephalitis during pregnancy: A diagnostic and therapeutic challenge—A systematic review with individual patients' analysis and clinical recommendations
Authors: Dono Fedele , Consoli Stefano , Tappatà Maria , Evangelista Giacomo , Russo Mirella , Lanzone Jacopo , Pozzilli Valeria , Nucera Bruna , Rinaldi Fabrizio , Di Pietro Martina , Tinti Lorenzo , Troisi Serena , Calisi Dario , D'Apolito Maria , Narducci Flavia , Assenza Giovanni , Anzellotti Francesca , Brigo Francesco , Vollono Catello , Onofrj Marco , Sensi Stefano L. , Michelucci Roberto 
Published: August 2023

AbstractSeveral reports have described the autoimmune encephalitis' (AE) possible onset during pregnancy. In this systematic review, we summarize the available data on the diagnostic and therapeutic approach to AE during pregnancy, highlighting the associated maternal and fetal clinical outcomes. A systematic search of the literature was performed. The following databases were used: PubMed, Google Scholar, EMBASE, and CrossRef. The revision was registered on the PROSPERO platform (CRD42022336357). Forty‐nine patients were included. AE onset was mainly observed during the first and the second trimester of pregnancy with psychiatric manifestations and seizures as main onset symptoms. CSF analysis showed AE‐specific autoantibody positivity in 33 patients (anti‐NMDA receptor as the most frequent). EEG generally showed normal findings. MRI revealed pathological findings in less than half of patients. Tumor screening was positive in 14 cases. First‐line immunotherapy (single or combined) was generally employed while second line was administered in a minority of patients. Levetiracetam was the most used antiseizure medication. Cesarean section was performed in 18 women. Most of the women had an excellent early outcome after delivery but 22 showed persistent neurological deficits in long‐term follow‐up. Fetal outcome was positive in 33 cases, whereas 12 cases of fetal death were reported. A logistic regression showed that no variable significantly influenced the odds of good/bad maternal and fetal clinical outcome. Diagnosis and treatment of AE during pregnancy is challenging. The rate of miscarriage in women with AE seems to be higher than the general population. In addition, mothers may show long‐term neurological deficits.
Integrating cloud and mist computing to lower latency in IoT topologies
Authors: Herrero Rolando 
Published: August 2023

AbstractTraditional IoT topologies involve access and core networks that share a common edge. On this edge, border routers and gateways are responsible for converting protocols at different layers of the stack. Devices like sensors and actuators sit on the access network while applications are located on the core network. The application performs predictions that trigger actuation based on received sensor readouts. Prediction, in turn, is the result of machine learning (ML) algorithms that are typically executed on the cloud. An alternative to this approach consists of performing the prediction on constrained devices on the IoT access network. This leads to Tiny ML (TinyML) and mist computing. In this context, there is a trade‐off between latency and computational power that becomes a deciding factor when choosing the application to carry on predictions. This paper introduces an algorithm that can be used to dynamically select the right application based on network layer parameters.
The impact of multifocal perineural invasion in predicting survival in patients with oral squamous cell carcinoma: A multicenter investigation
Authors: Hasmat Shaheen , Heller Gillian , Cook Lachlan , Gupta Ruta , Clark Jonathan R. , Ooi Eng H. , Low Tsu‐Hui (Hubert) 
Published: August 2023

AbstractBackgroundPerineural invasion (PNI) in oral squamous cell carcinoma (OSCC) does not contribute to the current American Joint Committee on Cancer 8th edition (AJCC8) staging manual. This study seeks to validate the effect of multifocal PNI in a large cohort of patients.MethodsPatients undergoing primary surgical treatment of OSCC with curative intent between 1995 and 2022 was retrieved from two Australian head and neck databases. PNI was categorized as a single focus or multiple foci. Study end points included disease‐specific survival (DSS) and overall survival (OS).ResultsComplete data for survival analysis was available in 993 patients. Multifocal PNI was associated with a 61% increased risk of death due to OSCC (HR 1.61, 95% CI 1.11–2.33, p = 0.014) and a 32% increased risk of death from any cause (HR 1.32, 95% CI 1.01–1.73, p = 0.045).ConclusionsMultifocal PNI is a significant predictor of survival in OSCC.
Recent trends in hereditary breast cancer incidence by race and age in KwaZulu‐Natal, South Africa: An 11‐year single‐centre retrospective study (2011‐2021)
Authors: Makhetha Mpoi , Chabilal Namitha , Aldous Colleen 
Published: August 2023

AbstractBreast cancer incidence has increased globally in the last decade, especially in low‐ and middle‐income countries. In Sub‐Saharan Africa, breast cancer trends have been described only in a few populations owing to the scarcity of population‐specific data. Using data collected between 2011 and 2021 at Inkosi Albert Luthuli Central Hospital, this retrospective study describes demographic and genetic trends for hereditary breast cancer patients in the KwaZulu‐Natal province, South Africa. Six hundred and forty‐five patients were included, of whom 44.3% were Black, 36.8% Indian, 15.6% White and 3.2% Coloured. The number of annual new cases increased from eight in 2011 to 145 in 2021, with a notable increase among Blacks. The mean onset age was 46 years, and Black patients were diagnosed ~10 years earlier than White and Indian patients. Triple‐negative breast cancers accounted for 20.3% of hereditary cases, and 51.1% of them were Black. Bilateral and recurrent breast cancers constituted 7.4%, while pathogenic sequence variants in BRCA1/2 were reported in 10.4% of all patients, and the majority were Blacks and Indians. Overall, the KwaZulu‐Natal province has seen an increase in hereditary breast cancer incidence in the past decade. Despite testing negative for pathogenic sequence variants, Black women frequently presented with breast cancers that are BRCA1‐like, while Indians presented with extensive family history. This suggests that South African patients may require unique approaches to interventions, such as early detection and awareness programs among Blacks and increased genetic screening among Indians.
Prevalence of Low Bone Mass and Osteoporosis in Ireland: the Dual‐Energy X‐Ray Absorptiometry (DXA) Health Informatics Prediction (HIP) Project
Authors: Carey John J. , Erjiang E , Wang Tingyan , Yang Lan , Dempsey Mary , Brennan Attracta , Yu Ming , Chan Wing P. , Whelan Bryan , Silke Carmel , O'Sullivan Miriam , Rooney Bridie , McPartland Aoife , O'Malley Gráinne 
Published: August 2023

ABSTRACTOsteoporosis is a common disease that has a significant impact on patients, healthcare systems, and society. World Health Organization (WHO) diagnostic criteria for postmenopausal women were established in 1994 to diagnose low bone mass (osteopenia) and osteoporosis using dual‐energy X‐ray absorptiometry (DXA)‐measured bone mineral density (BMD) to help understand the epidemiology of osteoporosis, and identify those at risk for fracture. These criteria may also apply to men ≥50 years, perimenopausal women, and people of different ethnicity. The DXA Health Informatics Prediction (HIP) project is an established convenience cohort of more than 36,000 patients who had a DXA scan to explore the epidemiology of osteoporosis and its management in the Republic of Ireland where the prevalence of osteoporosis remains unknown. In this article we compare the prevalence of a DXA classification low bone mass (T‐score < −1.0) and of osteoporosis (T‐score ≤ −2.5) among adults aged ≥40 years without major risk factors or fractures, with one or more major risk factors, and with one or more major osteoporotic fractures. A total of 33,344 subjects met our study inclusion criteria, including 28,933 (86.8%) women; 9362 had no fractures or major risk factors, 14,932 had one or more major clinical risk factors, and 9050 had one or more major osteoporotic fractures. The prevalence of low bone mass and osteoporosis increased significantly with age overall. The prevalence of low bone mass and osteoporosis was significantly greater among men and women with major osteoporotic fractures than healthy controls or those with clinical risk factors. Applying our results to the national population census figure of 5,123,536 in 2022 we estimate between 1,039,348 and 1,240,807 men and women aged ≥50 years have low bone mass, whereas between 308,474 and 498,104 have osteoporosis. These data are important for the diagnosis of osteoporosis in clinical practice, and national policy to reduce the illness burden of osteoporosis. © 2023 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Pharmacokinetic Modeling Using Real‐World Data to Optimize Unfractionated Heparin Dosing in Pediatric Patients on Extracorporeal Membrane Oxygenation and Evaluate Target Achievement–Clinical Outcomes Relationship
Authors: Salem Ahmed M. , Smith Trey , Wilkes Jacob , Bailly David K. , Heyrend Caroline , Profsky Michael , Yellepeddi Venkata K. , Gopalakrishnan Mathangi 
Published: August 2023

AbstractUnfractionated heparin (UFH) is a commonly used anticoagulant for pediatric patients undergoing extracorporeal membrane oxygenation (ECMO), but evidence is lacking on the ideal dosing. We aimed to (1) develop a population pharmacokinetic (PK) model for UFH, measured through anti–factor Xa assay; (2) optimize UFH starting infusions and dose titrations through simulations; and (3) explore UFH exposure–clinical outcomes relationship. Data from 218 patients admitted to Utah's Primary Children's Hospital were retrospectively collected. A 1‐compartment PK model with time‐varying clearance (CL) adequately described UFH PK. Weight on CL and volume of distribution and ECMO circuit change on CL were significant covariates. The typical estimates for initial CL and first‐order rate constant to reach steady‐state CL were 0.57 L/(h·10 kg) and 0.02/h. Comparable to non‐ECMO patients, the typical steady‐state CL was 0.81 L/(h·10 kg). Simulations showed that a 75 IU/kg UFH bolus dose followed by starting infusions of 25 and 20 IU/h/kg for patients aged younger than 6 years and 6 years or older, respectively, achieved the therapeutic target in 56.6% of all patients, whereas only 3.1% exceeded the target. The proposed UFH titration schemes achieved the target in more than 90% of patients while less than 0.63% were above the target after 24 and 48 hours of treatment. The median intensive care unit survival time in patients within and below the target at 24 hours was 136 and 66 hours, respectively. In conclusion, PK model of UFH was developed for pediatric patients on ECMO. The proposed UFH dosing scheme attained the anti–factor Xa target rapidly and safely.
Real‐World Experience With Deutetrabenazine for Huntington Disease Chorea
Authors: Curtis Kendall , Sung Victor 
Published: August 2023

AbstractHuntington disease (HD) is a hereditary neurodegenerative disorder with a hallmark feature of chorea. While no disease‐modifying therapies currently exist for HD, symptomatic treatment of HD‐associated chorea includes US Food and Drug Administration–approved vesicular monoamine transporter type 2 inhibitors—tetrabenazine and deutetrabenazine. Deutetrabenazine was more recently approved (2017), and while structurally similar to tetrabenazine, deutetrabenazine has a unique pharmacokinetic profile that allows for a longer half‐life, reduced plasma fluctuations, and less frequent dosing. In pivotal trials, deutetrabenazine seemed to have an improved safety and tolerability profile over tetrabenazine but real‐world data to confirm this are lacking. Here, we evaluate our real‐world clinical experience with deutetrabenazine for HD‐associated chorea. We performed a retrospective chart review of all patients with HD who initiated treatment with deutetrabenazine from January 2017 to May 2019 at the University of Alabama at Birmingham. Total maximal chorea scores, patient‐reported subjective efficacy, dosing information, and subjective reports of adverse events (AEs) were abstracted for each patient. Our review included 58 patients with a mean length of treatment of 476.4 days. In the reviewed time period, the mean treatment difference in total maximal chorea scores was 4.4. The combined total rate of occurrence of any AEs was relatively low, at 32.8%, and the most commonly reported AEs were sedation (15.5%), insomnia (6.9%), and diarrhea (3.4%). Our real‐world data support current literature indicating that deutetrabenazine is an effective and well‐tolerated treatment for HD‐associated chorea. Further studies repeating this on a larger scale, across a greater geography and practice pattern, are needed.
Preparation and properties of high‐soluble wheat gluten protein‐based meat analogues
Authors: Sun Yusha , Dong Mengxue , Bai Jie , Liu Xuebo , Yang Xiujuan , Duan Xiang 
Published: August 2023

AbstractBACKGROUNDWheat gluten protein (WGP) is poorly soluble and does not easily form fibrous structures. The meat analogues prepared from it have an unsatisfactory texture and poor water‐holding capacity (WHC). Our previous work indicated that pH‐shifting combined with heat treatment can significantly improve the solubility and emulsifiability of WGP. In this work, WGP was therefore treated by pH‐cycling (m‐WGP) to improve the solubility and then applied in the preparation of meat analogues by high moisture extrusion.RESULTSThe results indicated that the addition of m‐WGP improved the texture characteristics and WHC of the extrudates significantly (282.4) and made the extrudates show a tighter organizational structure, according to scanning electron microscope (SEM) images. Magnetic resonance imaging (MRI) analysis showed that the addition of m‐WGP resulted in a more uniform moisture distribution in the extrudate. The free sulfhydryl group result showed that the addition of m‐WGP significantly increased the free sulfhydryl group content, which was beneficial to the formation of disulfide bonds to enhance the tissue structure.CONCLUSIONWhen the addition content of m‐WGP was 10%, the gluten extrudate exhibited a good WHC and uniform moisture distribution but the excessive hardness and chewiness were not suitable for simulating meat. When the additional m‐WGP content reached 50%, the gluten extrudate had textural characteristics that were closest to commercial plant‐based meat and real meat, with the potential to be used as a raw material to simulate meat. Accordingly, this work improves the processing properties of WGP and explores plant‐based ingredients for meat analogues. © 2023 Society of Chemical Industry.
Assessing Active Bowel Inflammation in Crohn's Disease Using Intestinal Ultrasound
Authors: You Myung‐won , Moon Sung Kyoung , Lee Yong Dae , Oh Shin Ju , Park Seong Jin , Lee Chang Kyun 
Published: August 2023

AimTo analyze the correlation between intestinal ultrasound (IUS) and serum and fecal biomarkers, and the characteristics of small bowel disease, for the assessment of active bowel inflammation.MethodsPatients with Crohn's disease (CD) who underwent an initial IUS examination between July 2018 and November 2022 at our institution were included retrospectively. We divided small and large bowels into seven segments, and recorded the presence of active inflammation according to following criteria: bowel wall thickness ≥ mm with ≥1 of feature of active disease on IUS. The correlations between IUS‐assessed activity and serum C‐reactive protein (CRP, mg/dL) and fecal calprotectin (FC, μg/g) levels were analyzed.ResultsA total of 127 patients were included (mean age: 32.42 ± 12.07, M:F = 90:37, median disease duration 6 years [0–35]). Of them, 78 showed active bowel inflammation (61.4%), with inflammation distal to the terminal ileum being the most common disease location (n = 61, 78.2%). FC and serum CRP levels were significantly correlated with the number of segments with active inflammation (rho = 0.58, 0.48), number of segments with complications (r = 0.35, 0.31), and US activity score (r = 0.62, 0.54). With FC cutoff values of 100 and 150 μg/g, the concordance rates for patients with active small bowel disease were 78.7% (26/33) and 72.7% (24/33), respectively, which were better than those for other disease locations.ConclusionsDisease activity determined by IUS was significantly correlated with the biomarkers, with a better concordance rate in patients with active small bowel disease than in those with other disease locations with FC cut‐off values of 100 and 150 μg/g.