bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing perovskite solar cells performance through tailored design: pyridine-functionalized phenothiazine derivatives with modified end-capped acceptor moieties
Authors: Shahzad Nabeel , Chatha Shahzad Ali Shahid , Iqbal Javed , Hussain Shahid , Hussain Riaz 
Published: October 2024

Abstract
Future energy resources are being developed using clean and renewable energies since these sources offer environmentally friendly and sustainable choices to traditional sources like fossil fuels. Among various renewable energy sources, solar energy is becoming increasingly efficient with advancements in organic photovoltaic systems. Organic semiconductor materials, which require high electron affinity and possess desirable optical and electronic properties, are crucial for these systems. Researchers are constantly trying to increase the role of photovoltaic materials in optoelectronic applications. With current energy demands, there is a shift from traditional solar cells to perovskite photovoltaic materials due to their significant contributions to renewable energy. Therefore, we have designed a new stream of donor- π -acceptor (D- π -A) type pyridine functionalized phenothiazine derivates-based donor materials, resulting in nine fabricated HTMs (PT1-PT9), by substituting the terminals with thiophene and acceptors moieties respectively to enhance the photovoltaic properties of perovskite solar cells (PSCs). All newly proposed materials were computationally examined to estimate their optoelectronics, geometrical, and photovoltaic properties using quantum chemical approach, and then compared to the reference. For organic hole-transporting materials, a heterocyclic phenothiazine core (PTZ) has been proven effective as it has feasible structure modifications, excellent electron-donating properties, and straightforward synthesis. The study of electronic parameters (density of state, frontier molecular orbitals, and electrostatic potential ESP), optical properties (light harvesting efficiency, absorption maxima, dipole moment, and first excitation energies) and charge transfer characteristics (electron–hole overlap, transition density matrix) of designed materials revealed that there is an increase in absorption range under the influence of terminal acceptor groups, with lowering the bandgap values compared to the reference. A density of state (DOS) graph and HOMO–LUMO schema are evidence of the electron-withdrawing effect of acceptor moieties. Transition density matrix (TDM) analysis proves reliable charger transfer in designed molecules. Reorganization energy values for designed molecules are lower than the reference making charge transfer carriers more efficient. Additionally, solvation-free energy values (−17.28 to −33.19 Kcalmol−1) and higher dipole moments suggest better surface-wetting and solubility properties. In general, the fabricated materials have exceptional charge mobilities with higher absorption and reduced band gap values that make them suitable and stable candidates for photovoltaic devices.
Overcoming fouling challenges in ultrafiltration for drinking water treatment
Authors: Latif E F , Elmaadawy Khaled 
Published: October 2024

Abstract
Ultrafiltration-based-membrane technology has been introduced as a viable and promising solution in drinking water treatment and wastewater reuse applications. However, in this technology membrane fouling presents a crucial challenge hindering its widespread use and sustainability. Membrane fouling increases the operational costs and decreases membrane lifetime due to backwashing, chemical cleaning, and ultimately membrane replacement in a shorter time. Ultrafiltration reversible fouling can be removed by reversing backwashing and chemical cleaning of membrane pores, on the other hand, irreversible fouling is persistent and membrane flux is not restored to its original state. An extensive understanding of reversible and irreversible fouling mitigation still needs more investigation. This review will focus on the technologies and methods used in controlling UF fouling and conclude the most effective method for UF fouling mitigation. The fundamentals of fouling are addressed, the methods of reversible and irreversible fouling control are summarized, factors that influence fouling are presented, and the results of controlling fouling methods are illustrated and discussed to conclude the most effective method for mitigating UF fouling. This review found that coagulation with an aiding coagulant and alternate disinfection such as chlorine dioxide and potassium ferrate were promising technologies as a pretreatment to mitigate ultrafiltration fouling.
Quality assurance for online adaptive radiotherapy: a secondary dose verification model with geometry-encoded U-Net
Authors: Yan Shunyu , Maniscalco Austen , Wang Biling , Nguyen Dan , Jiang Steve , Shen Chenyang 
Published: October 2024

Abstract
In online adaptive radiotherapy (ART), quick computation-based secondary dose verification is crucial for ensuring the quality of ART plans while the patient is positioned on the treatment couch. However, traditional dose verification algorithms are generally time-consuming, reducing the efficiency of ART workflow. This study aims to develop an ultra-fast deep-learning (DL) based secondary dose verification algorithm to accurately estimate dose distributions using computed tomography (CT) and fluence maps (FMs). We integrated FMs into the CT image domain by explicitly resolving the geometry of treatment delivery. For each gantry angle, an FM was constructed based on the optimized multi-leaf collimator apertures and corresponding monitoring units. To effectively encode treatment beam configuration, the constructed FMs were back-projected to

30

cm away from the isocenter with respect to the exact geometry of the treatment machines. Then, a 3D U-Net was utilized to take the integrated CT and FM volume as input to estimate dose. Training and validation were performed on

381

prostate cancer cases, with an additional

40

testing cases for independent evaluation of model performance. The proposed model can estimate dose in ∼

15

ms for each patient. The average γ passing rate (

3
%

/

2

mm

,

10
%

threshold) for the estimated dose was 99.9% ± 0.15% on testing patients. The mean dose differences for the planning target volume and organs at risk were

0.07
%
±
0.34
%

and

0.48
%
±
0.72
%

, respectively. We have developed a geometry-resolved DL framework for accurate dose estimation and demonstrated its potential in real-time online ART doses verification.
Relationalism’s psychosemantic ills
Authors: Sharp William A 
Published: October 2024

Abstract
Relationalism about colour (as described in Cohen’s 2004 article on colour properties and his 2009 book The Red and the Real) is motivated by the thought that by identifying colours with relations between objects, subjects and viewing circumstances we can provide the best realist, general, ecumenical accommodation of perceptual variation data. This ‘best’-claim is supported by the charge that one of the view’s ecumenical rivals does uniquely badly in respect of fit with mainstream psychosemantics. This case for relationalism is complicated by Cohen’s later acknowledgement that relationalism has psychosemantic ills of its own. In this paper I argue that Cohen’s proposed remedying of those ills fails.
Microaggression and ambiguous experience
Authors: Brunning Luke 
Published: October 2024

Abstract
Regina Rini argues that ambiguity about whether behaviour instantiates oppression is constitutive of microaggression. I give reasons to doubt this: people can be clear that someone’s behaviour towards them instantiates oppression; ambiguity does not seem to feature centrally in apologies for microaggression; ambiguity can be present when someone is a victim of microaggression due to external causes such as fatigue; ambiguity can be introduced or dispelled by the corroborating input of third parties, some of whom have expertise as oppressed people themselves. These points lend support to a structural account of microaggression where ambiguity is an optional aggravating feature of some microagressive behaviour.
A-015 Changes of sST2 and NT-proBNP levels predict early cardiovascular toxicity in breast cancer patients treated with anthracycline-containing chemotherapy
Authors: Chen C , Lu R , Guo L , Zheng H , Wang Y , Tong Y , Zhang H , Xie S , Ma X , Jiang M , Gong Z , Yan T , Lu D 
Published: October 2024

Abstract

Background
Cardiovascular biomarkers play a crucial role in monitoring the risk for cancer therapy-related cardiovascular toxicity, but their changes and values at the early stage of chemotherapy are still inadequate, especially for some new biomarkers.The purpose of this study was to examine changes in cardiovascular biomarkers and evaluate the prognostic values for cardiovascular toxicity in patients with breast cancer treated with anthracycline-containing chemotherapy.

Methods
In a prospective cohort of 73 patients treated with anthracycline-containing chemotherapy, soluble ST2 (sST2), high-sensitivity cardiac troponin T (hs-cTnT), N-terminal pro-B-type natriuretic peptide (NT-proBNP), Myoglobin (Myo), Creatine kinase isoenzyme MB (CK-MB) and heart-fatty acid binding protein (H-FABP) were measured at baseline, during every chemotherapy cycle (C1-C6, about every month).Cardiovascular toxicity was defined as cancer therapy-related arrhythmias, which was differentiated into bradycardia,tachycardia or atrial fibrillation. According to whether arrhythmia occurred, patients were divided into two groups (healthy group and arrhythmias group), and the basic clinical characteristics were collected and compared among the two groups. Logistic regression analyses and receiver operating characteristic (ROC) curves were conducted to investigate the relationship between the changes in biomarkers and anthracycline-induced cardiotoxicity.

Results
sST2 levels increased significantly from baseline to C1 (P&lt;0.01). NT-proBNP decreased from baseline to C1, C5 (P&lt; 0.01). Logistic regression analysis showed a greater risk of cardiovascular toxicity was associated with greater interval increase in sST2 from baseline to C1(ΔsST2) (OR:1.27; 95% CI:1.03 to1.56; P= 0.024) and interval decline in NT-proBNP from baseline to C1(ΔNT-proBNP) was associated with cardiovascular toxicity (OR: 0.83; 95% CI: 0.70 to 0.98; P= 0.029). ROC curves showed that ΔsST2, ΔNT-proBNP and ΔsST2+ΔNT-proBNP had good predictive value for cardiovascular toxicity (areas under the curves were 0.631, 0.633, and 0.735, respectively, P&lt;0.05).

Conclusions
Early changes in sST2 and NT-proBNP levels offer additive information in early cardiovascular toxicity risk prediction in patients with breast cancer who receive anthracycline-containing chemotherapy.
A-022 A pilot study evaluating NT-proBNP and hs-cTnI levels in pneumoconiosis patients with and without cardiovascular diseases
Authors: He Q 
Published: October 2024

Abstract

Background
Pneumoconiosis is a serious occupational lung disease in China that is progressive and irreversible but lacks systematic research. This pilot case-control study was conducted to understand levels of N-terminal-pro-B-type natriuretic peptide (NT-proBNP) and high-sensitivity cardiac troponin I (hs-cTnI) in pneumoconiosis patients with and without cardiovascular diseases.

Methods
Pneumoconiosis patients with/without cardiovascular diseases were recruited from the West China Occupational Pneumoconiosis Cohort in West China Fourth Hospital. Healthy controls were adults who underwent health check-ups and matched by age with the pneumoconiosis patients at the same hospital. The serum concentrations of NT-proBNP and hs-cTnI were measured by the automated QuidelOrtho™ Vitros™ 5600 system from July 2023 to January 2024. The levels of NT-proBNP and hs-cTnI between the two groups were compared by the Mann-Whitney U test.

Results
Among 105 male pneumoconiosis patients in our analysis, 63 reported cardiovascular diseases with a median age of 71(61,75) years and 42 without cardiovascular diseases with a median age of 65.5 (58,76) years, with no statistically significant difference (p=0.386). The median NT-proBNP level was 211(102,432)pg/mL for pneumoconiosis with cardiovascular diseases and 104(39.6,190) pg/mL for pneumoconiosis without cardiovascular diseases, the difference beingstatistically significant (p&lt;0.001). The median hs-cTnI level was 2.14(1.50,4.25)ng/L for pneumoconiosis with cardiovascular diseases and 1.50(1.50, 1.52)ng/L for pneumoconiosis without cardiovascular diseases, the difference being statistically significant (p&lt;0.001). Patients who had pneumoconiosis with pulmonary heart diseases had the highest NT-proBNP and hs-cTnI levels,(summarized in Table 1). There was no significant difference in the levels of NT-proBNP and hs-cTnI between patients who had pneumoconiosis without cardiovascular diseases and 65 healthy control participants.

Conclusions
The incident rate of cardiovascular diseases among pneumoconiosis patients is significantly higher than in the general population, especially pulmonary heart diseases. Future studies are needed to evaluate the levels of NT-proBNP and hs-cTnI in individuals with pneumoconiosis at diagnosis and over time.
A-028 Evaluation of the Analytical Performance Iron3, Vitamin B12, and Homocysteine Assays on the Atellica CI Analyzer
Authors: Frenna J , Snyder J , Belth B , Guo M , Valdivia B , Shalhoub V , Thakur K , Leipold H 
Published: October 2024

Abstract

Background
The Atellica® CI Analyzer is an automated, mid-throughput integrated chemistry and immunoassay analyzer employing both Atellica® CH and Atellica® IM assays. This study evaluated the analytical performance of the Atellica® CH Iron3, and Atellica® IM Vitamin B12 (VB12) and Homocysteine (HCY) assays on the Atellica CI Analyzer.

Methods
The Atellica CI assays use the same reagents and calibrators as Atellica CH and Atellica IM assays. Precision studies followed CLSI EP05-A3; human contrived and serum samples were tested in duplicate in 2 runs per day for 20 days. Method comparison (MC) studies used human serum samples according to CLSI EP09c and EP09-A3. MC involved comparing the Atellica CH Iron3 Assay on the Atellica CH and Atellica CI Analyzers. MC also compared Atellica IM VB12 and HCY assays on the Atellica CI with Atellica IM Analyzer. Detection capability and linearity were determined.

Results
Representative precision and MC results are listed for each assay in the table. Slopes determined using the Deming linear regression model were approximately equal to 1. LoB, LoD, LoQ were 2, 4, 5 µg/dL (0.4, 0.7, 0.9 µmol/L) for Iron3, 45, 90, 90 pg/mL (33, 66, 66 pmol/L) for VB12, and 0.50, 1.00, 1.00 µmol/L for HCY; linearity was 5-1000 µg/dL (0.9-179.0 µmol/L), 45-2000 pg/mL (33-1476 pmol/L), and 0.50-65.00 µmol/L, respectively.

Conclusions
Atellica IM Iron3, VB12, and HCY Assays on the Atellica CI Analyzer demonstrated good precision and equivalent performance to the Atellica CH Analyzer.
A-030 Evaluation of the Analytical Performance of Two Reproductive Endocrinology Related Assays on the Atellica CI Analyzer
Authors: Quintanilla M , Aleo R , Warnock J , Arrode-Bruses G , Leipold H 
Published: October 2024

Abstract

Background
The Atellica® CI Analyzer is an automated, high-throughput integrated chemistry and immunoassay analyzer utilizing both Atellica® CH and Atellica® IM Assays. This study evaluated the analytical performance of the Atellica IM Sex Hormone Binding Globulin (SHBG) and the total Testosterone II (TSTII) Assays on the Atellica CI Analyzer.

Methods
Precision studies were performed according to CLSI EP05-A3 using native and contrived human serum samples. One aliquot of each sample pool was tested in duplicate in two runs per day ≥2 hours apart on each analyzer for ≥20 days. Precision studies were evaluated with one reagent lot on two systems. Method comparison (MC) studies were performed using three reagent lots according to CLSI EP09c. Individual native and contrived human serum samples were analyzed using the Atellica IM SHBG and TSTII Assays on the Atellica IM Analyzer and the Atellica CI Analyzer. LoB, LoD, and LoQ were determined as described in CLSI protocol EP17-A2.

Results
Representative precision and MC results for each assay are listed in the table. For the two assays tested, repeatability and within-lab %CVs were &lt;4.0% and &lt;6.6%, respectively. Slopes determined by the Deming linear regression model were approximately equal to 1. Detection capability for the Atellica IM SHBG Assay on the Atellica CI Analyzer was estimated at 1.33 nmol/L (standard international (SI) units; 0.13 μg/mL, common units), 1.60 nmol/L (0.15 μg/mL) and 2.00 nmol/L (0.19 μg/mL) for LoB, LoD, and LoQ respectively. When using the Atellica IM TSTII Assay, detection capability was estimated at 0.09 nmol/L (2.50 ng/dL), 0.17 nmol/L (5.00 ng/dL) and 0.24 nmol/L (7.00 ng/dL) for LoB, LoD, and LoQ, respectively.

Conclusions
Evaluation of the Atellica IM SHBG and TSTII Assays using the Atellica CI Analyzer demonstrated good precision and equivalent performance compared to the same assays on the Atellica IM Analyzer.
A-031 Development of novel ELISAs for total GDF-15 and H-specific GDF-15
Authors: Kalra B , Parekh H , Patel A S , Mistry S , Hyvonen M , Kumar A 
Published: October 2024

Abstract

Background
To develop sensitive and specific ELISAs for the quantitative measurement of total human GDF-15 and H-specific (H202D mutant) GDF-15 in human serum, and other biological fluids. Growth/differentiation Factor 15 (GDF-15) is a divergent member of the TGF-β superfamily of growth factors. It is encoded in humans by a gene in chromosome 19. The human GDF-15 gene encodes for a protein of 308 amino acid residues which consists of a signal sequence (residues 1-29), pro-domain (30-194), and mature growth factor domain (195-308). The molecular weight of a mature GDF-15 dimer is 25 kDa. Approximately 25% of humans have a missense polymorphism in the GDF-15 gene resulting in mutation of histidine 202 to aspartate (histidine 6 in the mature domain), close to the N-terminus of the mature growth factor. This variant is associated with phenotypes in prostate cancer, hyperemesis gravidarum, (severe morning sickness in pregnancy), and rheumatoid arthritis.

Methods
Highly specific and reproducible total GDF-15 (AL-1014-r) and H-specific GDF-15 (AL-1018-r) ELISAs have been developed using specific monoclonal antibodies to help estimate the total and mutant (DD) concentration in serum in the respective assays. The ELISAs use 10 uL sample volume and are calibrated to recombinant human GDF-15 from R & D Systems (Biotechne, USA). These ELISAs were validated for their specificity using HH, DD, HD recombinant preparations and their circulating levels in male, female, 1st, and 2nd-trimester serum samples.

Results
The Total GDF-15 ELISA assay detects total GDF-15 including histidine 202 to aspartate mutation (HH, HD & DD variant) in the mature domain in equimolar proportions. The H-specific GDF-15 assay is specific to histidine at 202aa in the GDF-15 sequence and does not detect histidine 202 to aspartate mutation (DD variant). Median Levels of total GDF-15 in healthy males (n=18), females (n=17), 1st trimester (n=20), and 2nd trimester (n=20) were 847.9 pg/mL, 1182.4 pg/mL, 12759.7 pg/mL, and 12951.2 pg/mL. Median Levels of H-specific GDF-15 in healthy males (n=18), females (n=17), 1st trimester (n=20), and 2nd trimester (n=20) were 723.2 pg/mL, 641.3 pg/mL, 8381.4 pg/mL and 4652.1 pg/mL. Method comparison between total GDF-15 and commercial GDF-15 assay using serum samples (HH, wild type) in the range of 400-2500 pg/mL yielded a slope of 0.98 (r=0.97). The HD and DD mutant samples in the total assay recovered at twice the concentrations of the commercial assay. The total and intact assays are highly reproducible with the total coefficient of variation less than 7%.

Conclusions
Use of total GDF-15 assay in combination with the GDF-15 H-specific assay (DD nondetectable) ELISA can accurately estimate the mutant (DD) concentration in serum. This will enhance the knowledge of the GDF-15 measurements in the literature as the commercial assays were compromised for its immunoreactivity to the HD DD genotypes which is highly prevalent.
A-045 Analytical and Clinical Evaluation of A1c Test by HPLC - Lifotronic™ H100Plus Analyzer - in a Brazilian Clinical Laboratory
Authors: Canali D , Vieira L , Dias C , Moreira V , Brugger R , Sabino C , Bonato C , Zampieri G , Lopes A 
Published: October 2024

Abstract

Background
Over the years, the measurement of Glycated Hemoglobin (A1c) has solidified as an important risk marker for pre-diabetic patients and for the diagnosis and control of diabetic patients. The High-Performance Liquid Chromatography (CLAE) method has been adopted in prospective studies such as the DDCT, and international certification by the NGSP is available. In this study, analytical performance metrics including imprecision, correlation, linearity, carryover, and detection of hemoglobin variants were evaluated for the Lifotronic® H100 Plus analyzer from China.

Methods
The results were evaluated following CLSI guidelines on samples within stability, collected according to standardized procedures. For the comparative method, 40 patient samples ranging from 4 to 15.4% were analyzed, and two concentrations of internal quality control material were used for intra-assay (5 repetitions per day) and inter-assay (over five days) imprecision testing. Linearity was assessed using samples at two concentrations, one low (4.5%) and another high (17.2%). For carryover evaluation, low (4.98%), intermediate (9.97%), and high (14.96%) concentrations were assayed in an interleaved manner. Hemoglobin variants found in the studied population were determined using the same method employed in correlation tests (HbS, HbF, HbC, HbE, and HbD).

Results
The method comparison study revealed a Total Error for decision levels of 5.6%: 2.23% and 6.5%: 1.70%, which were lower than the maximum allowable Total Error of 3.3% (EFLM - EuBIVAS). The difference plot showed that 95% of the results fell within acceptable limits. Positive bias was observed in 7 out of 40 tested samples, predominantly in samples with concentrations above 6,5%, although the medical team assessed it as having no clinical impact. For intra-assay imprecision, the obtained result was 0.86%, and for inter-assay imprecision, it was 0.87%, both deemed acceptable according to the 3.0 % specification proposed by the supplier for the two tested levels.Linearity tests were approved for concentrations proposed by the manufacturer between 3 and 18%, and no carryover was found between samples. All hemoglobin variants previously detected in the comparative method were also identified in the test method without exception, although the specific type of Hb variant was not identified.

Conclusions
The Lifotronic™ H100Plus analyzer demonstrated approved analytical performance with some notable observations: positive bias was observed in samples with concentrations above 6,5%, though it was not considered clinically relevant, the throughput of 58 tests per hour could be a limitation for laboratories with high testing volumes and the analyzer detected the presence of Hb variants, although it did not identify their specific types.