bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterization of the fragmentation mechanisms in electrospray ionization tandem mass spectrometry of chloroquinoline derivatives with larvicidal activity against Aedes aegypti
Authors: da Silva Rodrigo Moreira , Barbieri Jéssica Guastalli , Murie Valter Eduardo , Silvério Maíra Rosato Silveira , Soldi Rafael Augusto , Albernaz Lorena Carneiro , Espindola Laila Salmen , Vieira Paulo Cézar , Clososki Giuliano Cesar , Vessecchi Ricardo , Lopes Norberto Peporine 
Published: April 2024

Rationale4,7‐Dichloroquinoline (DCQ) represents a group of synthetic molecules inspired by natural products with important roles in biological and biomedical areas. This work aimed to characterize DCQ and its derivatives by high‐resolution electrospray ionization (ESI) mass spectrometry and tandem mass spectrometry (ESI‐MS/MS), supported by theoretical calculations. Biological assays were carried out with DCQ and its derivatives to determine LC50 values against Aedes aegypti larvae.MethodsFive DCQ derivatives were synthesized by using previously described protocols. ESI‐MS/MS analyses were carried out with a quadrupole/time‐of‐flight and ion‐trap instrument. The proposed gas‐phase protonation sites and fragmentation were supported by density functional theory calculations. The larvicidal tests were performed with the Ae. aegypti Rockefeller strain, and the LC50 values were determined by employing five test concentrations. Larval mortality was determined after treatment for 48 h.ResultsDCQ bromides or aldehydes (C‐3 or C‐8 positions), as well as the trimethylsilyl derivative (C‐3 position), were prepared. Detailed ESI‐MS/MS data revealed heteroatom elimination through an exception to the even‐electron rule, to originate open‐shell species. Computational studies were used to define the protonation sites and fragmentation pathways. High activity of DCQ and its derivatives against Ae. aegypti larvae was demonstrated.ConclusionOur results provided a well‐founded characterization of the fragmentation reactions of DCQ and its derivatives, which can be useful for complementary studies of the development of a larvicidal product against Ae. aegypti.
Simultaneous quantification of six proteins related to liver injury using nano liquid chromatography–tandem mass spectrometry
Authors: Cai Siyu , Su Yuan , Shi Mengtian , Wang Dandan , Chen David Da Yong , Yan Binjun 
Published: April 2024

RationaleIn clinical diagnosis of liver injury, which is an important health concern, serum aminotransferase assays have been the go‐to method used worldwide. However, the measurement of serum enzyme activity has limitations, including inadequate disease specificity and enzyme specificity.MethodsWith the high selectivity and specificity provided by nano liquid chromatography–tandem mass spectrometry (LC/MS/MS), this work describes a method for the simultaneous determination of six proteins in liver that can be potentially used as biomarkers for liver injury: glutamic‐pyruvic transaminase 1 (GPT1), glutamic oxaloacetic transaminase 1 (GOT1), methionine adenosyl transferase 1A (MAT1A), glutathione peroxidase 1 (GPX1), cytokeratin 18 (KRT18) and apolipoprotein E (APOE).ResultsIn validation, the method was shown to have good selectivity and sensitivity (limits of detection at pg/mL level). The analytical method revealed that, compared with normal mice, in carbon tetrachloride‐induced acute liver injury mice, liver MAT1A and GPX1 were significantly lower (p < 0.01 and p < 0.05, respectively), KRT18 was significantly higher (p < 0.05) and APOE and GPT1 were marginally significantly lower (p between 0.05 and 0.1). This is the first work reporting the absolute contents of GPT1, GOT1, MAT1A, GPX1 and KRT18 proteins based on LC/MS.ConclusionsThe proposed method provides a basis for establishing more specific diagnostic indicators of liver injury.
Acoustic tracking of moving marine targets using a single autonomous surface receiver
Authors: Git Ilan , Samina Matan , Givon Shachar , Segev Ronen , Kiflawi Moshe , Ben‐Shahar Ohad 
Published: April 2024

AbstractWhile marine animal behavior is often studied in constrained lab setups, a more reliable exploration should be done in their natural environment and without human interference. This task becomes excessively more challenging when quantitative data are needed in large and unconstrained aquatic environments. Toward that end, researchers widely use acoustic positioning telemetry to remotely track their subjects, though this often requires an extensive network of receivers placed in the environment ahead of time. This study proposes a new tracking method that continuously tracks and reports the trajectory of a target in unconstrained marine environments using a single‐moving acoustic receiver. Instead of deploying an extensive array of static receivers, we use a single receiver mounted on an autonomous surface vehicle to obtain highly accurate results with much cheaper and simpler means. The receiver position and earlier target location estimations are used to calculate an optimal trajectory for the receiver, which in turn provides subsequent readings and target localizations based on a new variant of the Time Difference of Arrival approach. We demonstrate the performance of the proposed methods using both simulations and field experiments.
Dissociation Constant of Di‐ and Tri‐Basic Solvents Based on Piperazine and Its Derivatives for Post‐Combustion CO2 Capture
Authors: Darji Mehul , Manhas Anu , Dash Sukanta K. , Mukherjee Kalisadhan 
Published: April 2024

AbstractAmine solvents remain popular in the industries for post combustion carbon dioxide (CO2) capture. Dissociation constant of basic amine solvents plays significant role to influence the CO2 absorption. It is thus important to study the dissociation of new amine solvents for assessing their viability for CO2 capture. In the present work, potentiometric titration method is employed to determine the dissociation constants of dibasic (e. g., Piperazine (PZ), 1‐methyl piperazine (1‐MPZ) and tribasic amines (1‐(2‐aminoethyl‐piperazine) (AEPZ) which could be promising for formulating blended solvent system towards enhancing the rate of CO2 absorption. The estimated dissociation constants for the PZ and 1‐MPZ while match well with reported results, the dissociation constants for AEPZ has been determined newly here within the temperature range 298—318 K. In addition, the structural geometric parameters and Natural Bond Order (NBO) calculations of the amine solvents are performed based on Density Functional Theory (DFT). The NBO calculations predict charge distribution on the nitrogen and other elements, and envisage its effect on the pKa values of the amines. Further, potential energy surface (PES) scanning calculations are performed for AEPZ to explain it's ring inversion which is responsible for obtaining a single pKa value in experimental studies.
Synthesis of Group IIB and IVB Metal Complexes of 3‐Nitroaniline for Photocatalytic Degradation of Organic Dyes
Authors: Zafar Ayesha , Mawat Talib H. , Atiyah Eman M. , Adnan Iqbal Muhammad , Majeed Adnan , Iram Ghazala , Qureshi Rizwana , Khalid Sabha 
Published: April 2024

AbstractIn the current research, new metal complexes have been synthesized by using the greener synthetic approach in which 3‐Nitroaniline reacts with the elements of group‐IIB and group‐IVB. According to this method, ligand and metals were dissolved in 1,4‐dioxane and stirred at room temperature for a specific time period. The method for the preparation of metal‐base complexes is quite simple and cost‐effective. To identify the synthesized compounds various physio‐chemical analytical techniques were used such as Melting point, FT‐Raman Spectroscopy, FT‐IR Spectroscopy, Thermogravimetric analysis, and Scanning electron microscope (SEM) that provide significant data about the general structural characteristics of synthesized compounds. The percentage degradation efficiency of synthetic dyes was obtained as 57 %, 66 %, and 97 % using the synthesized compounds as photocatalysts. A statistical tool, RSM was used for the optimization of parameters (Concentration of Dye, Dose of Catalyst, and contact time).
Anti‐Biofilm and Anti‐Virulence Potential of 2‐Amino‐1,3,4‐Thiadiazole Derivatives
Authors: Saravanan Kiruthika , Venugopal Sharulatha , Murugesan Rajeswari , Ramasamy Monica 
Published: April 2024

AbstractBiofilms are microbial communities that facilitate the pathogenesis of life‐threatening microbial infections through the glazing of mucosal surfaces or implanted devices thus protecting them from medications and increasing mortality rates. To discover a new class of antibiofilm agents 2‐amino‐1,3,4 thiadiazoles hybridized with pharmacologically active heterocycles were designed and synthesized. The compounds were characterized by infrared, nuclear magnetic resonance, mass spectroscopy and elemental analysis. All the compounds were assessed for their anti‐biofilm and anti‐virulence activity against P. aeruginosa and S. aureus. Quinoline‐substituted thiadiazoles were found to possess potent anti‐biofilm activity against P. aeruginosa and S. aureus. The molecular docking analysis further confirms the antibiofilm potential of the compounds. Density functional theory studies were carried out to investigate the electronic and molecular properties of the most active hybrids.
CMOS‐Integrated Ternary Content Addressable Memory using Nanocavity CBRAMs for High Sensing Margin
Authors: Hyun Gihwan , Alimkhanuly Batyrbek , Seo Donguk , Lee Minwoo , Bae Junseong , Lee Seunghyun , Patil Shubham , Hwang Youngcheol , Kadyrov Arman , Yoo Hyungyu , Devnath Anupom , Lee Yoonmyung , Lee Seunghyun 
Published: April 2024

AbstractThe development of data‐intensive computing methods imposes a significant load on the hardware, requiring progress toward a memory‐centric paradigm. Within this context, ternary content‐addressable memory (TCAM) can become an essential platform for high‐speed in‐memory matching applications of large data vectors. Compared to traditional static random‐access memory (SRAM) designs, TCAM technology using non‐volatile resistive memories (RRAMs) in two‐transistor‐two‐resistor (2T2R) configurations presents a cost‐efficient alternative. However, the limited sensing margin between the match and mismatch states in RRAM structures hinders the potential of using memory‐based TCAMs for large‐scale architectures. Therefore, this study proposes a practical device engineering method to improve the switching response of conductive‐bridge memories (CBRAMs) integrated with existing complementary metal‐oxide‐semiconductor (CMOS) transistor technology. Importantly, this work demonstrates a significant improvement in memory window reaching 1.87 × 107 by incorporating nanocavity arrays and modifying electrode geometry. Consequently, TCAM cells using nanocavity‐enhanced CBRAM devices can exhibit a considerable increase in resistance ratio up to 6.17 × 105, thereby closely approximating the sensing metrics observed in SRAM‐based TCAMs. The improved sensing capability facilitates the parallel querying of extensive data sets. TCAM array simulations using experimentally verified device models indicate a substantial sensing margin of 65× enabling a parallel search of 2048 bits.
A prognostic model established using bile acid genes to predict the immunity and survival of patients with gastrointestinal cancer
Authors: Wu Xin , Liu Peifa , Wang Qing , Sun Linde , Wang Yu 
Published: April 2024

AbstractBackgroundThe metabolism of abnormal bile acids (BAs) is implicated in the initiation and development of gastrointestinal (GI) cancer. However, there was a lack of research on the molecular mechanisms of BAs metabolism in GI.MethodsGenes involved in BAs metabolism were excavated from public databases of The Cancer Genome Atlas (TCGA) database, Gene Expression Omnibus (GEO) database, and Molecular Signatures Database (MSigDB). ConsensusClusterPlus was used to classify molecular subtypes for GI. To develop a RiskScore model for predicting GI prognosis, univariate Cox analysis was performed on the genes in protein–protein interaction (PPI) network, followed by using Lasso regression and stepwise regression to refine the model and to determine the key prognostic genes. Tumor immune microenvironment in GI patients from different risk groups was assessed using the ESTIMATE algorithm and enrichment analysis. Reverse transcription–quantitative real‐time PCR (RT‐qPCR), Transwell assay, and wound healing assay were carried out to validate the expression and functions of the model genes.ResultsThis study defined three molecular subtypes (C1, C2, and C3). Specifically, C1 had the best prognosis, while C3 had the worst prognosis with high immune checkpoint gene expression levels and TIDE scores. We selected nine key genes (AXIN2, ATOH1, CHST13, PNMA2, GYG2, MAGEA3, SNCG, HEYL, and RASSF10) that significantly affected the prognosis of GI and used them to develop a RiskScore model accordingly. Combining the verification results from a nomogram, the prediction of the model was proven to be accurate. The high RiskScore group was significantly enriched in tumor and immune‐related pathways. Compared with normal gastric mucosal epithelial cells, the mRNA levels of the nine genes were differential in the gastric cancer cells. Inhibition of PNMA2 suppressed migration and invasion of the cancer cells.ConclusionWe distinguished three GI molecular subtypes with different prognosis based on the genes related to BAs metabolism and developed a RiskScore model, contributing to the diagnosis and treatment of patients with GI.
Modeling water flow and volumetric water content in a degraded peat comparing unimodal with bimodal porosity and flux with pressure head boundary condition
Authors: Davies Mariel F. , Dietrich Ottfried , Gerke Horst H. , Merz Christoph 
Published: April 2024

AbstractDegraded peatlands release large amounts of greenhouse gases. The development of effective mitigation and management measures requires an understanding of relevant site‐specific biogeochemical and hydraulic processes. However, the simulation of water fluxes and vadose zone state variables of degrading peatlands relies on proper process description, parameterization of hydraulic functions, and representation of the boundary conditions. The objective of this study was to analyze the effects of unimodal versus bimodal soil hydraulic functions and pressure head versus flux‐type lower boundary conditions (LBCs) on the calculated hydraulic characteristics of a degraded peat profile. HYDRUS‐1D was used to study the hydraulic flow dynamics parameterized with data from a weighable groundwater lysimeter for the period from May 1 to December 31, 2019. Simulations comparing uni‐ and bimodal hydraulic functions showed only minor differences. Simulations of soil water pressure at a depth of 30 cm using a flux‐type LBC (RMSE: 27 cm, where RMSE is root mean square error) performed better than simulations using a pressure head LBC (RMSE: 48 cm). The pressure head LBC performed better at simulating volumetric water contents in 30‐cm depth than the flux LBC variant (RMSE: 0.05 vs. 0.09 cm3 cm−3). For specific site conditions with a shallow, fluctuating groundwater table and temporary air entrapment, the choice of LBC was important for a more accurate simulation of soil water fluxes and volumetric water content.
Transforming Kanak Knowledge to Teach Students and Train Teachers in New Caledonia
Authors: Wadrawane Eddie Wayuone 
Published: April 2024

AbstractThe reconfiguration of New Caledonian schools and curricula seems to be essential in times of complex political and environmental changes. It should rehabilitate the memory of the Indigenous Kanak cultures and genealogical itineraries. Six fundamental elements of Kanak culture (éléments fondamentaux de la culture Kanak, or EFCK) are therefore currently integrated into school curricula following their official introduction in 2016 in the New Caledonian Education Project (PENC). Their implementation in schooling contributes to innovative teaching and teacher training techniques and will progressively lead to socio-school rebalancing. The transfer of Indigenous Kanak knowledge into so-called academic contexts can contribute to a greater balance between humans and their environment. Based on qualitative methods in human and social sciences, I will demonstrate the possibilities for teaching Indigenous knowledge and life skills. Examples for the transposition of Kanak knowledge and cultural practices include the Aengeni hnameneng ceremony on Maré island and a yam calendar produced by teacher candidates in their second year of training. I conclude that schools and universities should encourage teachers, teacher candidates, educators, and students to critically reflect the didactic resources of Kanak and Oceanic cultures.
Gender, Politics and Power in New Caledonia
Authors: Baker Kerryn 
Published: April 2024

AbstractThis chapter explores women’s engagement in politics in New Caledonia over time. Despite widespread resistance to western conceptualisations of feminism, women’s organising in New Caledonia has a long history. Although women’s movement has historically been fragmented along ethnic and ideological lines, a strong women’s coalition emerged during the debate over the French parity laws. Activists from both the pro-independence and loyalist sides of politics campaigned strongly to ensure the parity laws would be implemented in the territory. These laws, and the advocacy from local women’s groups, have ensured that since 2004 women have been represented in New Caledonian politics in near-equal numbers to men. Men still dominate key positions of political power, and in the complex political environment of New Caledonia, gender is just one political identity among many, making issues of representation fraught. Yet women’s increased access to politics has had a substantive impact in New Caledonia: enabling the articulation of diverse viewpoints, enhancing women’s status as leaders and increasing attention paid to key gender policy issues. Building on a long history of women’s participation in decision-making, collective action and political activism in the territory, the parity laws have created an expanded political sphere for women.
Which Environmental Policies for New Caledonia?
Authors: Rodary Estienne 
Published: April 2024

AbstractScientists identified the extraordinary terrestrial and marine biodiversity of New Caledonia over 70 years ago. Campaigns to preserve endemic flora and fauna by international NGOs have existed since the 1960s, but established interests lying behind the extractive economy on Grande Terre helped delay effective environmental regulations and actions until the 2000s. The territory still has some of the highest CO2 emissions per capita in the world. Multi-layered governance is in place, applied through the Convention on Biological Diversity (initiated in 1992), the UNESCO World Heritage listing for reefs and lagoons (2008) and the Natural Park of the Coral Sea (2014). Ecological policies are hampered by the divergence of views on the environment at the provincial and territorial scales and the degree of local participation that is permitted in environmental decision-making. Different resources also fall under different management regimes, and some campaigns target environmental issues alongside social and economic justice issues.
Minimal periods for semilinear parabolic equations
Authors: Herzog Gerd , Kunstmann Peer Christian 
Published: April 2024

AbstractWe show that, if $$-A$$

-
A

generates a bounded holomorphic semigroup in a Banach space X, $$\alpha \in [0,1)$$

α
∈
[
0
,
1
)

, and $$f:D(A)\rightarrow X$$

f
:
D
(
A
)
→
X

satisfies $$\Vert f(x)-f(y)\Vert \le L\Vert A^\alpha (x-y)\Vert $$

‖
f

(
x
)

-
f

(
y
)

‖
≤
L
‖

A
α

(
x
-
y
)

‖

, then a non-constant T-periodic solution of the equation $${\dot{u}}+Au=f(u)$$

u
˙

+
A
u
=
f

(
u
)

satisfies $$LT^{1-\alpha }\ge K_\alpha $$

L

T

1
-
α

≥

K
α

where $$K_\alpha >0$$

K
α

>
0

is a constant depending on $$\alpha $$
α
and the semigroup. This extends results by Robinson and Vidal-Lopez, which have been shown for self-adjoint operators $$A\ge 0$$

A
≥
0

in a Hilbert space. For the latter case, we obtain - with a conceptually new proof - the optimal constant $$K_\alpha $$

K
α

, which only depends on $$\alpha $$
α
, and we also include the case $$\alpha =1$$

α
=
1

. In Hilbert spaces H and for $$\alpha =0$$

α
=
0

, we present a similar result with optimal constant where Au in the equation is replaced by a possibly unbounded gradient term $$\nabla _H{\mathscr {E}}(u)$$

∇
H

E

(
u
)

. This is inspired by applications with bounded gradient terms in a paper by Mawhin and Walter.
On real analytic functions on closed subanalytic domains
Authors: Rainer Armin 
Published: April 2024

AbstractWe show that a function$$f: X \rightarrow {\mathbb {R}}$$f:X→Rdefined on a closed uniformly polynomially cuspidal setXin$${\mathbb {R}}^n$$Rnis real analytic if and only iffis smooth and all its composites with germs of polynomial curves inXare real analytic. The degree of the polynomial curves needed for this is effectively related to the regularity of the boundary ofX. For instance, if the boundary ofXis locally Lipschitz, then polynomial curves of degree 2 suffice. In this Lipschitz case, we also prove that a function$$f: X \rightarrow {\mathbb {R}}$$f:X→Ris real analytic if and only if all its composites with germs of quadratic polynomial maps in two variables with images inXare real analytic; here it is not necessary to assume thatfis smooth.
Functional connectivity-hemodynamic (un)coupling changes in chronic mild brain injury are associated with mental health and neurocognitive indices: a resting state fMRI study
Authors: Kagialis Antonios , Simos Nicholas , Manolitsi Katina , Vakis Antonios , Simos Panagiotis , Papadaki Efrosini 
Published: April 2024

Abstract
Purpose
To examine hemodynamic and functional connectivity alterations and their association with neurocognitive and mental health indices in patients with chronic mild traumatic brain injury (mTBI).

Methods
Resting-state functional MRI (rs-fMRI) and neuropsychological assessment of 37 patients with chronic mTBI were performed. Intrinsic connectivity contrast (ICC) and time-shift analysis (TSA) of the rs-fMRI data allowed the assessment of regional hemodynamic and functional connectivity disturbances and their coupling (or uncoupling). Thirty-nine healthy age- and gender-matched participants were also examined.

Results
Patients with chronic mTBI displayed hypoconnectivity in bilateral hippocampi and parahippocampal gyri and increased connectivity in parietal areas (right angular gyrus and left superior parietal lobule (SPL)). Slower perfusion (hemodynamic lag) in the left anterior hippocampus was associated with higher self-reported symptoms of depression (r =  − 0.53, p = .0006) and anxiety (r =  − 0.484, p = .002), while faster perfusion (hemodynamic lead) in the left SPL was associated with lower semantic fluency (r =  − 0.474, p = .002). Finally, functional coupling (high connectivity and hemodynamic lead) in the right anterior cingulate cortex (ACC)) was associated with lower performance on attention and visuomotor coordination (r =  − 0.50, p = .001), while dysfunctional coupling (low connectivity and hemodynamic lag) in the left ventral posterior cingulate cortex (PCC) and right SPL was associated with lower scores on immediate passage memory (r =  − 0.52, p = .001; r =  − 0.53, p = .0006, respectively). Uncoupling in the right extrastriate visual cortex and posterior middle temporal gyrus was negatively associated with cognitive flexibility (r =  − 0.50, p = .001).

Conclusion
Hemodynamic and functional connectivity differences, indicating neurovascular (un)coupling, may be linked to mental health and neurocognitive indices in patients with chronic mTBI.