bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical analysis of immunochromatographic assay and consideration of its operating parameters for efficient designing of high-sensitivity cardiac troponin I (hs-cTnI) detection
Authors: Agarwal Rahul , Martinez-Chapa Sergio Omar , Madou Marc Jozef 
Published: October 2023

AbstractTroponin is the American College of Cardiology and American Heart Association preferred biomarker for diagnosing acute myocardial infarction (MI). We provide a modeling framework for high sensitivity cardiac Troponin I (hs-cTnI) detection in chromatographic immunoassays (flow displacement mode) with an analytical limit of detection, i.e., LOD < 10 ng/L. We show that each of the various control parameters exert a significant influence over the design requirements to reach the desired LOD. Additionally, the design implications in a multiplexed fluidic network, as in the case of Simple Plex™ Ella instrument, are significantly affected by the choice of the number of channels or partitions in the network. We also provide an upgrade on the existing LOD equation to evaluate the necessary minimum volume to detect a particular concentration by considering the effects of stochastics and directly incorporating the target number of copies in each of the partitions in case of multiplexed networks. Even though a special case of cTnI has been considered in this study, the model and analysis are analyte agnostic and may be applied to a wide class of chromatographic immunoassays. We believe that this contribution will lead to more efficient designing of the immunochromatographic assays.
Detection and localization of caries and hypomineralization on dental photographs with a vision transformer model
Authors: Felsch Marco , Meyer Ole , Schlickenrieder Anne , Engels Paula , Schönewolf Jule , Zöllner Felicitas , Heinrich-Weltzien Roswitha , Hesenius Marc , Hickel Reinhard , Gruhn Volker , Kühnisch Jan 
Published: October 2023

AbstractCaries and molar-incisor hypomineralization (MIH) are among the most prevalent diseases worldwide and need to be reliably diagnosed. The use of dental photographs and artificial intelligence (AI) methods may potentially contribute to realizing accurate and automated diagnostic visual examinations in the future. Therefore, the present study aimed to develop an AI-based algorithm that can detect, classify and localize caries and MIH. This study included an image set of 18,179 anonymous photographs. Pixelwise image labeling was achieved by trained and calibrated annotators using the Computer Vision Annotation Tool (CVAT). All annotations were made according to standard methods and were independently checked by an experienced dentist. The entire image set was divided into training (N = 16,679), validation (N = 500) and test sets (N = 1000). The AI-based algorithm was trained and finetuned over 250 epochs by using image augmentation and adapting a vision transformer network (SegFormer-B5). Statistics included the determination of the intersection over union (IoU), average precision (AP) and accuracy (ACC). The overall diagnostic performance in terms of IoU, AP and ACC were 0.959, 0.977 and 0.978 for the finetuned model, respectively. The corresponding data for the most relevant caries classes of non-cavitations (0.630, 0.813 and 0.990) and dentin cavities (0.692, 0.830, and 0.997) were found to be high. MIH-related demarcated opacity (0.672, 0.827, and 0.993) and atypical restoration (0.829, 0.902, and 0.999) showed similar results. Here, we report that the model achieves excellent precision for pixelwise detection and localization of caries and MIH. Nevertheless, the model needs to be further improved and externally validated.
Lenvatinib activates anti-tumor immunity by suppressing immunoinhibitory infiltrates in the tumor microenvironment of advanced hepatocellular carcinoma
Authors: Yamauchi Masami , Ono Atsushi , Amioka Kei , Fujii Yasutoshi , Nakahara Hikaru , Teraoka Yuji , Uchikawa Shinsuke , Fujino Hatsue , Nakahara Takashi , Murakami Eisuke , Okamoto Wataru , Miki Daiki , Kawaoka Tomokazu , Tsuge Masataka , Imamura Michio , Hayes C. Nelson , Ohishi Waka , Kishi Takeshi , Kimura Mizuki , Suzuki Natsumi , Arihiro Koji , Aikata Hiroshi , Chayama Kazuaki , Oka Shiro 
Published: October 2023

Abstract
Background
Lenvatinib, a multiple receptor tyrosine kinase inhibitor, might exert antitumor effects via tumor immune modulation. However, changes in the tumor immune microenvironment induced by lenvatinib are poorly understood. We investigated the effect of lenvatinib on immune features in clinical samples from patients with hepatocellular carcinoma.

Methods
Fifty-one patients with advanced hepatocellular carcinoma who received lenvatinib monotherapy as first-line treatment were enrolled. We collected blood sample (n = 51) and tumor tissue (n, baseline/four weeks after treatment initiation/post-progression = 50/8/12). DNA, RNA, and proteins extracted from the tissues were subjected to multi-omics analysis, and patients were classified into two groups according to baseline immune status. Each group was investigated in terms of the dynamics of tumor signaling. We also longitudinally analyzed circulating immune proteins and chemokines in peripheral blood.

Results
Here we show that lenvatinib has similar anti-tumor efficacy with objective response rate and progression-free survival in both Immune-Hot and Immune-Cold subtypes. Immune signatures associated with T-cell functions and interferon responses are enriched in the early phase of treatment, while signatures associated with immunoinhibitory cells are downregulated along with efficient vascular endothelial growth factor receptor and fibroblast growth factor receptor blockades. These findings are supported by imaging mass cytometry, T-cell receptor repertoire analysis and kinetics of circulating proteins. We also identify interleukin-8 and angiopoietin-2 as possible targets of intervention to overcome resistance to existing immunotherapies.

Conclusions
Our findings show the ability of lenvatinib to modulate tumor immunity in clinical samples of hepatocellular carcinoma.
Scoring-Tool zu Identifizierung von Patienten mit erhöhtem Risiko für Arzneimittel-bezogene Probleme- Bericht einer Punkt-Prävalenzuntersuchung bei Aufnahme im Krankenhaus
Authors: Berger Saskia , Hilgarth Heike , Fischer Andreas , Remane Yvonne , Schmitt Jochen , Knoth Holger 
Published: October 2023

ZusammenfassungEinleitung Die Arzneimitteltherapie wird als Hochrisiko-Prozess bezeichnet und bedarf besonderer Aufmerksamkeit, insbesondere an den Sektorengrenzen. Pharmazeutische Dienstleistungen wie zum Beispiel eine Medikationsanalyse sind geeignete Maßnahmen zur Verbesserung der Arzneimitteltherapiesicherheit. Sie sind wirksam bei der Erkennung und Behebung von Arzneimittel-bezogenen Problemen. Risiko-Scoring-Tools sind in der Literatur als hilfreiches Instrument zur priorisierten Medikationsanalyse von Patient:innen mit Risiko für Arzneimittel-bezogene Probleme beschrieben.Methodik In einer Punkt-Prävalenzuntersuchung wurde unter Anwendung eines Medikationsrisiko-Tools der Anteil der Patient:innen mit einem erhöhten Risiko für Arzneimittel-bezogene Probleme bei Aufnahme ins Krankenhaus multizentrisch erfasst. Darüber hinaus wurde das Angebot pharmazeutischer Dienstleistungen durch die Krankenhausapotheken ermittelt.Ergebnisse Insgesamt haben sich 11 (58%; 11/19) Krankenhausapotheken in Sachsen an der Punkt-Prävalenzuntersuchung beteiligt. Es wurden 875 Patient:innen eingeschlossen. Bei 32% (279/875) der Patient:innen wurde ein erhöhtes Risiko für Arzneimittel-bezogene Probleme mittels Scoring-Tool (Meris-Score >12-Gruppe) ermittelt. Dabei betrug die Anzahl der Arzneistoffe in der Meris-Score >12-Gruppe 10,6 (Mittelwert; Standardabweichung 3,5; n=279), in der Meris-Score ≤12-Gruppe waren es nur fünf Arzneimittel pro Patient:in (Mittelwert 4,6; Standardabweichung 2,8; n=596). Das Alter der Patient:innen in der Meris-Score >12-Gruppe betrug im Mittel 75,9 ± 11 Jahre, während das Alter der Patient:innen in der Meris-Score ≤12-Gruppe im Mittel 60,6 ± 17,9 Jahre betrug.Diskussion Die Priorisierung mit Hilfe eines Scoring-Tools erschient bei den derzeit noch nicht regelhaft etablierten pharmazeutischen Dienstleistungen in sächsischen Krankenhäusern besonders wichtig, um Patient:innen mit einem erhöhten Risiko für Arzneimittel-bezogene Probleme frühzeitig zu identifizieren.
Role of nuclear dynamics in high harmonic generation redshift of H2
+
Authors: Taghipour S , Vafaee M , Ahmadi Hamed 
Published: October 2023

Abstract
The detailed spectral and temporal structures of high-order harmonic generation (HHG) have provided us with a wealth of information about the highly nonlinear response of atoms, molecules, and electronic structures to intense low-frequency laser fields. In this study, we aim to investigate the underlying physics behind the molecular high harmonic spectra redshift beyond the Born–Oppenheimer approximation for

H

2

+

and its isotopes with numerical simulations of the time-dependent Schrödinger equation. One widely recognized phenomenon is the occurrence of a spectral redshift at the trailing edge of a laser pulse. However, our findings reveal that even when driven by a sinusoidal laser pulse without a falling edge, the HHG redshift appears and highlights that the observed spectral redshift is not solely due to the declining intensity of the laser pulse. We show that it is a direct consequence of the decrease in ionization energy during the transition from recombination time to ionization time within wave packets at short internuclear distances. Interestingly, our results also demonstrate how a sinusoidal laser pulse without a rising part can disrupt the standard picture of redshift in literatures in the past. This finding suggests that there are additional factors influencing the redshift mechanism beyond just the trailing edge of the laser pulse. These phenomena are elucidated through the analysis of the dynamics of the nuclear wave packet. Our study provides valuable insights into the complex dynamics of HHG processes and sheds light on how different laser pulse characteristics can influence spectral redshifts and harmonic generation in molecular systems.
A comparative ab initio study on mechanical and thermal properties of rare-earth scandate LnScO3 (Ln = La, Pr, Nd, Sm, Eu and Tb) compounds
Authors: Gecit Fehime Hayal , Cabuk Suleyman 
Published: October 2023

Abstract
To comparatively examine the mechanical and thermal properties of rare-earth scandate LnScO3 (Ln = La, Pr, Nd, Sm, Eu and Tb) compounds, ab initio calculation based on density functional theory was used within the framework of the generalized gradient approximation. The elastic moduli, Pugh’s criterion, Poisson’s ratio, Vickers hardness, linear compressibility, Debye temperature, Grüneisen parameter, elastic wave velocities, minimum thermal conductivities of LnScO3 were successfully obtained from independent single crystal elastic coefficients. The computed elastic constants indicate that these compounds have mechanical stability. The ductile and brittle properties of LnScO3 compounds were investigated using the B

H
/G

H
, Poisson’s ratio and Cauchy pressure. The mechanical anisotropic properties of LnScO3 compounds were discussed using universal anisotropic index, shear anisotropy factors, percentage shear (compressible) anisotropy index. Minimum thermal conductivities of LnScO3 were determined using Cahill’s and Clark’s model. Except for the elastic coefficients of NdScO3, SmScO3 and TbScO3 compounds, many physical properties of LnScO3 compounds were calculated for the first time in this study. We compared our calculation results with experimental and other theoretical data available in the literature.
Natural bone inspired core–shell triple-layered gel/PCL/gel 3D printed scaffolds for bone tissue engineering
Authors: Gupta Deepak , Singh Atul Kumar , Bellare Jayesh 
Published: October 2023

Abstract
Despite technological advancements in bone tissue engineering, it is still a challenge to fabricate a scaffold with high bioactivity as well as high mechanical strength that can promote osteogenesis as well as bear load. Here we developed a 3D printed gel-polymer multi-layered hybrid scaffold. The innermost layer is porous gel-based framework made of gelatin/carboxymethyl-chitin/nano-hydroxyapatite and is cryogenically 3D printed. Further, the second and middle layer of micro-engineered polycaprolactone (PCL) is infused in the gel with controlled penetration and tuneable coating thickness. The PCL surface is further coated with a third and final thin layer of gel matrix used for the first layer. This triple-layered structure demonstrates compression strength and modulus of 13.07 ± 1.15 MPa and 21.8 ± 0.82 MPa, respectively, post 8 weeks degradation which is >3000% and >700% than gel scaffold. It also shows degradation of 6.84 ± 0.70% (83% reduction than gel scaffold) after 12 weeks and swelling of 69.09 ± 6.83% (81% reduction) as compared to gel scaffolds. Further, nearly 300%, 250%, 50%, and 440% increase in cellular attachment, proliferation, protein generation, and mineralization, respectively are achieved as compared to only PCL scaffolds. Thus, these hybrid scaffolds offer high mechanical strength, slow degradation rate, high bioactivity, and high osteoconductivity. These multifunctional scaffolds have potential for reconstructing non-load-bearing bone defects like sinus lift, jaw cysts, and moderate load-bearing like reconstructing hard palate, orbital palate, and other craniomaxillofacial bone defects.
Soft matter roadmap*
Authors: Barrat Jean-Louis , Del Gado Emanuela , Egelhaaf Stefan U , Mao Xiaoming , Dijkstra Marjolein , Pine David J , Kumar Sanat K , Bishop Kyle , Gang Oleg , Obermeyer Allie , Papadakis Christine M , Tsitsilianis Constantinos , Smalyukh Ivan I , Hourlier-Fargette Aurelie , Andrieux Sebastien , Drenckhan Wiebke , Wagner Norman , Murphy Ryan P , Weeks Eric R , Cerbino Roberto , Han Yilong , Cipelletti Luca , Ramos Laurence , Poon Wilson C K , Richards James A , Cohen Itai , Furst Eric M , Nelson Alshakim , Craig Stephen L , Ganapathy Rajesh , Sood Ajay Kumar , Sciortino Francesco , Mungan Muhittin , Sastry Srikanth , Scheibner Colin , Fruchart Michel , Vitelli Vincenzo , Ridout S A , Stern M , Tah I , Zhang G , Liu Andrea J , Osuji Chinedum O , Xu Yuan , Shewan Heather M , Stokes Jason R , Merkel Matthias , Ronceray Pierre , Rupprecht Jean-François , Matsarskaia Olga , Schreiber Frank , Roosen-Runge Felix , Aubin-Tam Marie-Eve , Koenderink Gijsje H , Espinosa-Marzal Rosa M , Yus Joaquin , Kwon Jiheon 
Published: October 2023

AbstractSoft materials are usually defined as materials made of mesoscopic entities, often self-organised, sensitive to thermal fluctuations and to weak perturbations. Archetypal examples are colloids, polymers, amphiphiles, liquid crystals, foams. The importance of soft materials in everyday commodity products, as well as in technological applications, is enormous, and controlling or improving their properties is the focus of many efforts. From a fundamental perspective, the possibility of manipulating soft material properties, by tuning interactions between constituents and by applying external perturbations, gives rise to an almost unlimited variety in physical properties. Together with the relative ease to observe and characterise them, this renders soft matter systems powerful model systems to investigate statistical physics phenomena, many of them relevant as well to hard condensed matter systems. Understanding the emerging properties from mesoscale constituents still poses enormous challenges, which have stimulated a wealth of new experimental approaches, including the synthesis of new systems with, e.g. tailored self-assembling properties, or novel experimental techniques in imaging, scattering or rheology. Theoretical and numerical methods, and coarse-grained models, have become central to predict physical properties of soft materials, while computational approaches that also use machine learning tools are playing a progressively major role in many investigations. This Roadmap intends to give a broad overview of recent and possible future activities in the field of soft materials, with experts covering various developments and challenges in material synthesis and characterisation, instrumental, simulation and theoretical methods as well as general concepts.
Distribution of recursive matrix pseudorandom number generator modulo prime powers
Authors: Mérai László , Shparlinski Igor 
Published: October 2023

Given a matrix

A
∈

G
L

d

(

Z

)

A\in \mathrm {GL}_d(\mathbb {Z})

. We study the pseudorandomness of vectors

u

n

\mathbf {u}_n

generated by a linear recurrence relation of the form

u

n
+
1

≡
A

u

n

(
mod

p
t

)
,

n
=
0
,
1
,
…
,

\begin{equation*} \mathbf {u}_{n+1} \equiv A \mathbf {u}_n \pmod {p^t}, \qquad n = 0, 1, \ldots , \end{equation*}

modulo

p
t

p^t

with a fixed prime

p
p

and sufficiently large integer

t
⩾
1

t \geqslant 1

. We study such sequences over very short segments of length which has not been accessible via previously used methods. Our technique is based on the method of N. M. Korobov [Mat. Sb. (N.S.) 89(131) (1972), pp. 654–670, 672] of estimating double Weyl sums and a fully explicit form of the Vinogradov mean value theorem due to K. Ford [Proc. London Math. Soc. (3) 85 (2002), pp. 565–633]. This is combined with some ideas from the work of I. E. Shparlinski [Proc. Voronezh State Pedagogical Inst., 197 (1978), 74–85 (in Russian)] which allows us to construct polynomial representations of the coordinates of

u

n

\mathbf {u}_n

and control the

p
p

-adic orders of their coefficients in polynomial representations.
Quantitative Analysis of Morphometric Changes in Feminization Rhinoplasty Utilizing a Standardized Forehead-Rhinoplasty Technique
Authors: Mookerjee Vikram G , Alper David P , Almeida Mariana N , Hu Kevin G , Parikh Neil , Ihnat Jacqueline , De Baun Heloise M , Alperovich Michael 
Published: October 2023

Abstract

Background
Rhinoplasty is one of the most commonly performed facial gender-affirming surgeries (FGASs) for transgender females, but well-established morphometric parameters describing feminizing nasal changes do not exist.

Objectives
Describe the author's technique for feminization rhinoplasty, analyze the changes in 3-dimensional nasal anthropomorphic parameters, and describe patient-reported outcomes.

Methods
Three-dimensional photogrammetric evaluation was performed both preoperatively and postoperatively in transgender female patients who underwent FGAS. Measurements assessed included the nasofrontal angle, nasolabial angle, dorsal height, mid-dorsal width, alar width, nasal tip width, and tip projection. Patients were surveyed preoperatively and postoperatively using the FACE-Q Nose module. Paired t-tests were utilized to assess changes in postoperative measurements and FACE-Q Nose satisfaction scores.

Results
Twenty patients underwent FGAS during the study period. The average time between surgery and postoperative 3-dimensional images was 13.6 ± 6.8 months. The nasofrontal angle increased by 8.2° (148.0 ± 7.4° to 156.1 ± 6.7°, P &lt; .001) and tip projection increased by 0.017 (0.58 ± 0.03 to 0.60 ± 0.04, P &lt; .01). Dorsal height, mid-dorsal width, and tip width all decreased significantly (P &lt; .05). There were significant improvements in patients’ “Satisfaction with Nose,” “Satisfaction with Facial Appearance Overall,” “Psychological Function,” and “Social Function” on FACE-Q. One revision rhinoplasty was performed, and no documented surgical complications were reported.

Conclusions
There were statistically significant changes in the nasofrontal angle, tip projection, dorsal height, mid-dorsal width, and tip width in patients receiving feminization rhinoplasty. These data may help surgeons with preoperative planning and intraoperative decision making.

Level of Evidence: 4
Computational identification of long non-coding RNAs associated with graphene therapy in glioblastoma multiforme
Authors: Zou Zhuoheng , Zhang Ming , Xu Shang , Zhang Youzhong , Zhang Junzheng , Li Zesong , Zhu Xiao 
Published: October 2023

Abstract
Glioblastoma multiforme represents the most prevalent primary malignant brain tumour, while long non-coding RNA assumes a pivotal role in the pathogenesis and progression of glioblastoma multiforme. Nonetheless, the successful delivery of long non-coding RNA-based therapeutics to the tumour site has encountered significant obstacles attributable to inadequate biocompatibility and inefficient drug delivery systems. In this context, the use of a biofunctional surface modification of graphene oxide has emerged as a promising strategy to surmount these challenges. By changing the surface of graphene oxide, enhanced biocompatibility can be achieved, facilitating efficient transport of long non-coding RNA-based therapeutics specifically to the tumour site. This innovative approach presents the opportunity to exploit the therapeutic potential inherent in long non-coding RNA biology for treating glioblastoma multiforme patients. This study aimed to extract relevant genes from The Cancer Genome Atlas database and associate them with long non-coding RNAs to identify graphene therapy–related long non-coding RNA. We conducted a series of analyses to achieve this goal, including univariate Cox regression, least absolute shrinkage and selection operator regression and multivariate Cox regression. The resulting graphene therapy–related long non-coding RNAs were utilized to develop a risk score model. Subsequently, we conducted Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway analyses on the identified graphene therapy–related long non-coding RNAs. Additionally, we employed the risk model to construct the tumour microenvironment model and analyse drug sensitivity. To validate our findings, we referenced the IMvigor210 immunotherapy model. Finally, we investigated differences in the tumour stemness index. Through our investigation, we identified four promising graphene therapy–related long non-coding RNAs (AC011405.1, HOXC13-AS, LINC01127 and LINC01574) that could be utilized for treating glioblastoma multiforme patients. Furthermore, we identified 16 compounds that could be utilized in graphene therapy. Our study offers novel insights into the treatment of glioblastoma multiforme, and the identified graphene therapy–related long non-coding RNAs and compounds hold promise for further research in this field. Furthermore, additional biological experiments will be essential to validate the clinical significance of our model. These experiments can help confirm the potential therapeutic value and efficacy of the identified graphene therapy–related long non-coding RNAs and compounds in treating glioblastoma multiforme.