bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydroxyapatite‐based dental inserts: Microstructure, mechanical properties, bonding efficiency and fracture resistance of molars with occlusal restorations
Authors: Matic Tamara , Zebic Maja Lezaja , Miletic Vesna , Trajkovic Isaak , Milosevic Milos , Racic Aleksandar , Veljovic Djordje 
Published: October 2023

AbstractThis study aimed to (1) comparatively analyze properties of Sr‐ and Mg‐substituted hydroxyapatite (HAP)‐based dental inserts; (2) evaluate insert bonding to restorative materials, and (3) evaluate the effect of doped HAP inserts on fracture resistance (FR) of human molars with large occlusal restorations. By ion‐doping with Sr or Mg, 3 insert types were obtained and characterized using XRD, SEM, Vickers hardness and fracture toughness. Shear bond strength (SBS) was determined between acid etched or unetched inserts and following materials: Maxcem cement (Kerr); Filtek Z250 (3M) bonded with Single Bond Universal (SBU; 3M) or Clearfil Universal (Cf; Kuraray). Modified Class I cavities were prepared in 16 intact molars and restored using insert + composite or composite only (control) (n = 8/group). FR of restored molars was determined by static load until fracture upon thermal cycling. Fracture toughness was similar between Sr/Mg‐doped inserts (0.94–1.04 MPam−1/2 p = .429). Mg‐doped inserts showed greater hardness (range 4.78–5.15 GPa) than Sr6 inserts (3.74 ± 0.31 GPa; p < .05). SBS for SBU and Cf adhesives (range 7.19–15.93 MPa) was higher than for Maxcem (range 3.07–5.95 MPa) (p < .05). There was no significant difference in FR between molars restored with insert‐containing and control restorations (3.00 ± 0.30 kN and 3.22 ± 0.42 kN, respectively; p > .05). HAP‐based inserts doped with Mg/Sr had different composition and mechanical properties. Adhesive bonding to inserts resulted in greater bond strength than cementation, which may be improved by insert acid‐etching. Ion‐doped HAP inserts did not affect FR of restored molars. In conclusion, HAP‐based dental inserts may potentially replace dentin in large cavities, without affecting fracture resistance of restored teeth.
Modulatory role of terminal monomeric flavan‐3‐ol units in the viscoelasticity of dentin
Authors: Reis‐Havlat Mariana , Alania Yvette , Zhou Bin , Jing Shu‐Xi , McAlpine James B. , Chen Shao‐Nong , Pauli Guido F. , Bedran‐Russo Ana K. 
Published: October 2023

AbstractFlavan‐3‐ol monomers are the building blocks of proanthocyanidins (PACs), natural compounds from plants shown to mediate specific biologic activities on dentin. While the stereochemistry of the terminal flavan‐3‐ols, catechin (C) versus epicatechin (EC), impacts the biomechanical properties of the dentin matrix treated with oligomeric PACs, structure–activity relationships driving this bioactivity remain elusive. To gain insights into the modulatory role of the terminal monomers, two highly congruent trimeric PACs from Pinus massoniana only differing in the stereochemistry of the terminal unit (Trimer‐C vs. Trimer‐EC) were prepared to evaluate their chemical characteristics as well as their effects on the viscoelasticity and biostability of biomodified dentin matrices via infrared spectroscopy and multi‐scale dynamic mechanical analyses. The subtle alteration of C versus EC as terminal monomers lead to distinct immediate PAC‐trimer biomodulation of the dentin matrix. Nano‐ and micro‐dynamic mechanical analyses revealed that Trimer‐EC increased the complex moduli (0.51 GPa) of dentin matrix more strongly than Trimer‐C (0.26 GPa) at the nanoscale length (p < 0.001), whereas the reverse was found at the microscale length (p < .001). The damping capacity (tan δ) of dentin matrix decreased by 70% after PAC treatment at the nano‐length scale, while increased values were found at the micro‐length scale (~0.24) compared to the control (0.18 ; p < .001). An increase in amide band intensities and a decrease of complex moduli was observed after storage in simulated body fluid for both Trimer‐C and Trimer‐EC modified dentin. The stereochemical configuration of the terminal monomeric units, C and EC, did not impact the chemo‐mechanical stability of dentin matrix.
Adsorptive cytapheresis in ulcerative colitis: A non‐pharmacological therapeutic approach revisited
Authors: Vernia Filippo , Viscido Angelo , Latella Giovanni 
Published: October 2023

AbstractAdsorptive cytapheresis proves effective in a proportion of patients affected by ulcerative colitis. Relatively high cost and the need for apheresis facilities, prevented the widespread use of this therapeutic approach. More so following the introduction of anti‐TNFα biosimilars which proved both effective and inexpensive. Anti‐TNFα agents, however, are burdened by high rate of primary and secondary non‐response and prompt switching to new, high‐cost biologics, and small molecules. The present review analyzes advantages and disadvantages of adsorptive cytapheresis in the present clinical scenario and suggests its repositioning in the therapeutic workup of selected subgroups of ulcerative colitis patients. The extremely favorable safety profile makes adsorptive cytapheresis a viable therapeutic option in elderly and high‐risk UC patients, as well as potential second‐line treatment in corticosteroid‐dependent patients and poor responders to first‐line biologics.
Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutation
Authors: Sk Md Fulbabu , Samanta Sunanda , Poddar Sayan , Kar Parimal 
Published: October 2023

AbstractAt the beginning of the last century, multiple pandemics caused by influenza (flu) viruses severely impacted public health. Despite the development of vaccinations and antiviral medications to prevent and control impending flu outbreaks, unforeseen novel strains and continuously evolving old strains continue to represent a serious threat to human life. Therefore, the recently identified H10N7, for which not much data is available for rational structure‐based drug design, needs to be further explored. Here, we investigated the structural dynamics of neuraminidase N7 upon binding of inhibitors, and the drug resistance mechanisms against the oseltamivir (OTV) and laninamivir (LNV) antivirals due to the crucial R292K mutation on the N7 using the computational microscope, molecular dynamics (MD) simulations. In this study, each system underwent long 2 × 1 μs MD simulations to answer the conformational changes and drug resistance mechanisms. These long time‐scale dynamics simulations and free energy landscapes demonstrated that the mutant systems showed a high degree of conformational variation compared to their wildtype (WT) counterparts, and the LNV‐bound mutant exhibited an extended 150‐loop conformation. Further, the molecular mechanics Poisson–Boltzmann surface area (MM/PBSA) calculation and MM/GBSA free energy decomposition were used to characterize the binding of OTV and LNV with WT, and R292K mutated N7, revealing the R292K mutation as drug‐resistant, facilitated by a decline in binding interaction and a reduction in the dehydration penalty. Due to the broader binding pocket cavity of the smaller K292 mutant residue relative to the wildtype, the drug carboxylate to K292 hydrogen bonding was lost, and the area surrounding the K292 residue was more accessible to water molecules. This implies that drug resistance could be reduced by strengthening the hydrogen bond contacts between N7 inhibitors and altered N7, creating inhibitors that can form a hydrogen bond to the mutant K292, or preserving the closed cavity conformations.
Hydrogen bond energy estimation (H‐BEE) in large molecular clusters: A Python program for quantum chemical investigations
Authors: Ahirwar Mini Bharati , Khire Subodh S. , Gadre Shridhar R. , Deshmukh Milind M. 
Published: October 2023

AbstractA procedure, derived from the fragmentation‐based molecular tailoring approach (MTA), has been proposed and extensively applied by Deshmukh and Gadre for directly estimating the individual hydrogen bond (HB) energies and cooperativity contributions in molecular clusters. However, the manual fragmentation and high computational cost of correlated quantum chemical methods make the application of this method to large molecular clusters quite formidable. In this article, we report an in‐house developed software for automated hydrogen bond energy estimation (H‐BEE) in large molecular clusters. This user‐friendly software is essentially written in Python and executed on a Linux platform with the Gaussian package at the backend. Two approximations to the MTA‐based procedure, viz. the first spherical shell (SS1) and the Fragments‐in‐Fragments (Frags‐in‐Frags), enabling cost‐effective, automated evaluation of HB energies and cooperativity contributions, are also implemented in this software. The software has been extensively tested on a variety of molecular clusters and is expected to be of immense use, especially in conjunction with correlated methods such as MP2, CCSD(T), and so forth.
Synthesis, characterization, and photophysical properties of dicyanoarylamine‐based semi‐aromatic polymers
Authors: Wong Hui Qi , Yen Hung‐Ju 
Published: October 2023

AbstractIntroductionFluorescent high‐performance polymers have been extensively used in designing optoelectronic devices due to their low cost, excellent thermal stability, high mechanical strength, low flammability, good chemical and radiation resistance, and good electronic properties. While conventional organic luminophores fluoresce strongly in dilute solutions, they suffer from undesirable aggregation‐caused quenching in concentrated solutions and in the solid state due to extensive π‐π stacking interactions and formation of delocalized excitons or excimers. This phenomenon leads to non‐radiative decay thus, decreased fluorescence emission of the material in the solid film state, which significantly limits their real‐world application as solid light‐emitting materials.ObjectivesTo develop new high‐performance polymers with high photo luminescent efficiency, good processability, film‐forming properties, which could potentially be used in the fabrication of optoelectronic devices.MethodsThe preparation of the polyimide DiCN‐PI was carried out by a one‐step, high‐temperature solution imidization method. In this procedure, 1,2,4,5‐cyclohexanetetracarboxylic dianhydride and the diamine were polymerized in 1‐methyl‐2‐pyrrolidinone and γ‐butyrolactone co‐solvent at 180°C for 15 hours in the presence of isoquinoline as catalyst. On the other hand, polyamide DiCN‐PA was synthesized according to the direct phosphorylation polycondensation technique described by Yamazaki from diamine and trans‐1,4‐cyclohexanedicarboxylic acid using triphenyl phosphite and pyridine as condensing agents.Results and DiscussionBoth polymers were soluble in several polar aprotic solvents and exhibited useful levels of thermal stability. The polymers were emissive with PL emission bands around 555 (bluish‐green) and 498 (cyan) nm in dilute 1‐methyl‐2‐pyrrolidinone solutions for polyimide and polyamide, respectively. In the solid film state, the polymers emit light green and yellow colors, which simulate the PL behavior of their aggregated states, thereby demonstrating aggregation‐induced fluorescence changes.ConclusionsThese results indicate that the incorporation of bulky dicyanoarylamine moiety and alicyclic monomer units into the rigid polymer backbones effectively disrupted the planarity of the chain packing which resulted to the fluorescent high‐performance polymers with desired properties for potential optoelectronic applications.
Biceps brachii muscle cross‐sectional area measured by ultrasonography is independently associated with one‐month mortality: A prospective observational study
Authors: Catikkas Nezahat Muge , Binay Safer Vildan 
Published: October 2023

AbstractPurposeStudies examining mortality in palliative care units are limited. We aimed to investigate the mortality and associated factors including ultrasonographic muscle parameters in hospitalized palliative patients with a subgroup analysis of older patients.MethodsA prospective‐observational study. We recorded the demographics, number of diseases, diagnoses, and the Charlson comorbidity index (CCI), palliative performance scale (PPS), and nutritional risk screening‐2002 (NRS‐2002) scores. We noted the nutritional parameters and mortality. We measured the subcutaneous fat thickness (SFT), muscle thickness (MT), and cross‐sectional area (CSA) of the rectus femoris and biceps brachii using ultrasonography.ResultsWe enrolled 100 patients (mean age: 73.2 ± 16.4 years, 53%: female). One‐month mortality was 42%. The non‐survivors had significantly higher malignancy, increased CCI and NRS‐2002 scores, lower required energy intake, calorie sufficiency rate, and biceps brachii SFT, MT, and CSA than the survivors. The independent mortality predictors were malignancy and biceps brachii CSA while the PPS score and malignancy were significantly associated with mortality in the older subgroup.ConclusionThe malignancy and biceps brachii CSA might have prognostic value in predicting mortality in palliative patients. This was the first study investigating the mortality‐associated factors including ultrasonographic muscle measurements of both the lower and upper limbs in a palliative care center.
Pathways from maternal depression to child resilience: Socioeconomic, family, and individual factors in the 2004 Pelotas (Brazil) birth cohort
Authors: Maruyama Jessica Mayumi , Bauer Andreas , Hammerton Gemma , Halligan Sarah L. , Santos Ina S. , Munhoz Tiago N. , Barros Aluísio J. D. , Barros Fernando C. , Fairchild Graeme , Matijasevich Alicia 
Published: October 2023

AbstractBackgroundThe negative impacts of maternal depression on child mental health outcomes are well‐documented. However, some children show adaptive functioning following exposure to maternal depression, demonstrating resilience. In a large birth cohort from Brazil, a middle‐income country, we examined direct and indirect pathways, considering socioeconomic, family, and individual factors, contributing to the development of resilience.MethodsUsing data from the 2004 Pelotas Birth Cohort (N = 4231), we restricted the sample to those exposed to maternal depression up to age 6 years (depression present at ≥2 out of 5 assessment waves; n = 1132; 50% boys). Resilience was defined as scoring below or equal to the mean of the unexposed group on all four problem subscales of the parent‐report Strengths and Difficulties Questionnaire at age 11 years. We examined pathways from socioeconomic status (SES; measured at birth) to resilience via cognitive stimulation (CS) (at 24 and 48 months) and Intelligence quotient (IQ) (at 6 years), and from CS to resilience via IQ, using counterfactual mediation.ResultsA minority of children exposed to maternal depression showed resilience (12.4%). There was evidence of indirect pathways from SES to resilience via CS (odds ratio (OR) = 1.76, 95% confidence interval (CI) 1.02–3.38) and IQ (OR = 1.19, 95% CI 1.01–1.42), such that higher SES was associated with resilience via both higher levels of CS and higher IQ, which, in turn, were each positively associated with resilience. Furthermore, there was evidence of a direct (OR = 1.86, 95% CI 1.01–3.76) and total effect (OR = 1.94, 95% CI 1.05–3.89) of CS on resilience, even after controlling for SES. However, these effects varied depending on how persistent and severe depression was defined.ConclusionsThese findings suggest that CS in early childhood may represent a modifiable protective factor for children exposed to maternal depression and a promising intervention target to promote child resilience in the context of maternal depression exposure.
Anticipated deaths with physician care (mitori) at home in one town in Japan: A preliminary report
Authors: Kajiwara Nobuyuki , Suezaki Shinya , Okamoto Megumi , Kuwahara Yasuo , Okui Masanori , Nishimura Akiyoshi , Takabayashi Hirono 
Published: October 2023

AbstractBackgroundThere are few reports on the numbers of anticipated deaths (mitori [看取り]) at home in Japan.MethodWe used the Japanese death certificate system (shiboukohyou [死亡小票]) for Toyono town citizens who died between 2020 and 2022 and judged a death to constitute mitori when the certificate was not written by a doctor referred from the police.ResultsAmong 756 deaths, 109 (14.4%) were mitori at home. Deaths at home were 144 and mitori at home accounted for 75.7%.ConclusionShiboukohyou appear to provide numbers of mitori at home. Death certificate should include a space which shows mitori or not.
Longitudinal Metabolite Changes in Progressive Multiple Sclerosis: A Study of 3 Potential Neuroprotective Treatments
Authors: John Nevin A. , Solanky Bhavana S. , De Angelis Floriana , Parker Richard A. , Weir Christopher J. , Stutters Jonathan , Carrasco Ferran Prados , Schneider Torben , Doshi Anisha , Calvi Alberto , Williams Thomas , Plantone Domenico , Monteverdi Anita , MacManus David , Marshall Ian , Barkhof Frederik , Gandini Wheeler‐Kingshott Claudia A. M. , Chataway Jeremy ,   for the MS‐SMART Investigators
Published: October 2023

Background1H‐magnetic resonance spectroscopy (1H‐MRS) may provide a direct index for the testing of medicines for neuroprotection and drug mechanisms in multiple sclerosis (MS) through measures of total N‐acetyl‐aspartate (tNAA), total creatine (tCr), myo‐inositol (mIns), total‐choline (tCho), and glutamate + glutamine (Glx). Neurometabolites may be associated with clinical disability with evidence that baseline neuroaxonal integrity is associated with upper limb function and processing speed in secondary progressive MS (SPMS).PurposeTo assess the effect on neurometabolites from three candidate drugs after 96‐weeks as seen by 1H‐MRS and their association with clinical disability in SPMS.Study‐TypeLongitudinal.Population108 participants with SPMS randomized to receive neuroprotective drugs amiloride [mean age 55.4 (SD 7.4), 61% female], fluoxetine [55.6 (6.6), 71%], riluzole [54.6 (6.3), 68%], or placebo [54.8 (7.9), 67%].Field Strength/Sequence3‐Tesla. Chemical‐shift‐imaging 2D‐point‐resolved‐spectroscopy (PRESS), 3DT1.AssessmentBrain metabolites in normal appearing white matter (NAWM) and gray matter (GM), brain volume, lesion load, nine‐hole peg test (9HPT), and paced auditory serial addition test were measured at baseline and at 96‐weeks.Statistical TestsPaired t‐test was used to analyze metabolite changes in the placebo arm over 96‐weeks. Metabolite differences between treatment arms and placebo; and associations between baseline metabolites and upper limb function/information processing speed at 96‐weeks assessed using multiple linear regression models. P‐value<0.05 was considered statistically significant.ResultsIn the placebo arm, tCho increased in GM (mean difference = −0.32 IU) but decreased in NAWM (mean difference = 0.13 IU). Compared to placebo, in the fluoxetine arm, mIns/tCr was lower (β = −0.21); in the riluzole arm, GM Glx (β = −0.25) and Glx/tCr (β = −0.29) were reduced. Baseline tNAA(β = 0.22) and tNAA/tCr (β = 0.23) in NAWM were associated with 9HPT scores at 96‐weeks.Data Conclusion1H‐MRS demonstrated altered membrane turnover over 96‐weeks in the placebo group. It also distinguished changes in neuro‐metabolites related to gliosis and glutaminergic transmission, due to fluoxetine and riluzole, respectively. Data show tNAA is a potential marker for upper limb function.Level of Evidence1Technical EfficacyStage 4
Comparative transcriptome analysis of periodontitis and peri‐implantitis in human subjects
Authors: Oh Jung‐Min , Kim Yeongjoo , Son Hyojae , Kim Yun Hak , Kim Hyun‐Joo 
Published: October 2023

AbstractBackgroundPeri‐implantitis is similar to periodontitis, but there are some differences. For the effective control of peri‐implantitis, it is necessary to clarify its similarities and differences with periodontitis in terms of gene expression.MethodsThis cross‐sectional study included 20 participants (10 healthy subjects and 10 patients with periodontitis and peri‐implantitis). Gingival tissue samples (10 healthy, 10 periodontitis, and 10 peri‐implantitis tissues) were collected, RNAs were extracted, and RNA sequencing and analysis were performed.ResultsDifferentially expressed gene (DEG) analysis identified 757 upregulated and 159 downregulated genes common between periodontitis and peri‐implantitis. Periodontitis tissues uniquely showed 186 overexpressed and 22 suppressed genes compared with peri‐implantitis and healthy tissues, while peri‐implantitis had 1974 and 642, respectively. Each common and unique differential gene set showed distinct enriched biological features between periodontitis and peri‐implantitis after the pathway enrichment analysis. The expression pattern of selected DEGs focused on the representability of the disease was validated by RT‐qPCR.ConclusionsAlthough periodontitis and peri‐implantitis showed common gene expression that was clearly differentiated from healthy conditions, there were also unique gene patterns that were differentially expressed only in peri‐implantitis. These findings will help elucidate the mechanisms involved in the progression of peri‐implantitis.
Management of thyroid disorders in older people
Authors: Godbole Gauri , Joshi Tripti , Majumder Monica 
Published: October 2023

AbstractThyroid disorders are common in older people and cause significant morbidity. There may be fewer symptoms at presentation and increased susceptibility to adverse events, making diagnosis and management more challenging. The approach to management of thyroid disorders in older people differs from that for younger individuals. Factors that need to be considered include frailty, concurrent illness, polypharmacy, drug–drug interactions, and target organ sensitivity to treatment. This review discusses the clinical presentation, pathophysiology, and management of thyroid disorders and the effects of medications on thyroid function in older people.
Does Idiopathic Subglottic Stenosis Length and Location Change with Serial Endoscopic Interventions?
Authors: Mirmozaffari Yasine , Ghodke Ameer , Shah Rupali N. , Buckmire Robert A. 
Published: October 2023

Objectives/HypothesisThe aim was to assess changes in physical parameters of subglottic stenosis (SGS) following serial endoscopic surgical intervention.Study DesignThis was a retrospective chart review.MethodsA retrospective review of 52 idiopathic subglottic stenosis (iSGS) patients undergoing multiple endoscopic (excision/dilation) procedures between 2014 and 2022 was completed. Parameters including proximal stenosis distance from the vocal process and total stenosis length collected intraoperatively were compared over serial treatments. Differences between patient variables affecting distances from the vocal process and mean stenosis length were statistically analyzed utilizing nonparametric estimators including the Mann Whitney U, Fisher exact, and linear regression models.ResultsFor the cohort of iSGS patients (N = 52), the mean age was 55.1 (±15.1). The patients were predominantly female (96.2%) and Caucasian (84.6%). Patients underwent an average of 3.4 (±1.3) endoscopic procedures for long‐term treatment of iSGS (range: 1 to 5 procedures). Patients undergoing a total of two (2) total procedures within the data collection window demonstrated a statistically significant decrease in mean stenosis length between the first and second procedures (p = 0.014). Changes in distance of the stenosis from the glottis was not found to be statistically significant (p = 0.833). There was a statistically significant decrease in mean length of stenosis from the 1st to the 2nd procedure by approximately 0.11 cm (p = 0.0003). No additional statistically significant differences in stenosis length or location were detected.ConclusionsSerial endoscopic excision/dilation procedures (the mainstay of iSGS surgical management) do not appear to significantly lengthen intraluminal stenosis nor change the distance of the stenosis from the glottis.Level of Evidence4 Laryngoscope, 134:1769–1772, 2024