bluuebunny/crossref_metadata_2025_split huggingface dataset:
Accurate evaluation of combustion enthalpy by ab-initio computations
Authors: Alibakhshi Amin , Schäfer Lars V. 
Published: April 2022

AbstractAccurate evaluation of combustion enthalpy is of high scientific and industrial importance. Although ab-initio computation of the heat of reactions is one of the promising and well-established approaches in computational chemistry, reliable and precise computation of heat of combustion reactions by ab-initio methods is surprisingly scarce in the literature. A handful of works carried out for this purpose report significant inconsistencies between the computed and experimentally determined combustion enthalpies and suggest empirical corrections to improve the accuracy of the ab-initio predicted data. The main aim of the present study is to investigate the reasons behind those reported inconsistencies and propose guidelines for a high-accuracy estimation of heat of reactions via ab-initio computations. We show comparably accurate prediction of combustion enthalpy of 40 organic molecules based on a DSD-PBEP86 double-hybrid density functional theory approach and CCSD(T)-F12 coupled-cluster computations, with mean unsigned errors with respect to experimental data being below 0.5% for both methods.
Deletions of the Plasmodium falciparum histidine-rich protein 2/3 genes are common in field isolates from north-eastern Tanzania
Authors: Kaaya Robert D. , Kavishe Reginald A. , Tenu Filemon F. , Matowo Johnson J. , Mosha Franklin W. , Drakeley Chris , Sutherland Colin J. , Beshir Khalid B. 
Published: April 2022

AbstractPlasmodium falciparum parasites lacking histidine-rich protein 2 and 3 (pfhrp2/3) genes have been reported in several parts of the world. These deletions are known to compromise the effectiveness of HRP2-based malaria rapid diagnostic tests (HRP2-RDT). The National Malaria Control Programme (NMCP) in Tanzania adopted HRP2-RDTs as a routine tool for malaria diagnosis in 2009 replacing microscopy in many Health facilities. We investigated pfhrp2/3 deletions in 122 samples from two areas with diverse malaria transmission intensities in Northeastern Tanzania. Pfhrp2 deletion was confirmed in 1.6% of samples while pfhrp3 deletion was confirmed in 50% of samples. We did not find parasites with both pfhrp2 and pfhrp3 deletions among our samples. Results from this study highlight the need for systematic surveillance of pfhrp2/3 deletions in Tanzania to understand their prevalence and determine their impact on the performance of mRDT.
Computer-aided optimal design for flexible cable in aerospace products based on dynamic analogy modeling
Authors: Du Hongwang , Jiang Qinwen , Xiong Wei 
Published: April 2022

AbstractDue to large, complex deformations, the accurate design of cables has become a major problem in the manufacturing of aerospace products. The current design method often leads to large products, uncertain centroids, and poor reliability. To solve these problems, a computer-aided optimal design method for flexible cables was proposed based on dynamic analogy modeling. A nonlinear optimization model was established by combining Cosserat theory and the minimum potential energy principle. The total deformation energy was considered as the optimization object, and Euler parameters were used as control variables to describe the cable geometric shape. Considering the length and bending radius requirements, the normalized form of the cable constraints was expressed by the cross-section position and orientation matrix. An efficient method to solve this problem using finite element discretization and the primitive dual interior point method was proposed. A digital wiring module was developed based on an open source geometry kernel system, and a cable geometry test bench was built. To verify our model, a satellite wiring simulation example was implemented using the module, SolidWorks, and the test bench. Our method achieved the optimal design for the cable length and geometric shape. A theoretical and technical foundation for effectively solving the problem of large cable manufacturing errors and realizing the lightweight design of aerospace products was outlined.
A critical appraisal of the status and hydrogeochemical characteristics of freshwater springs in Kashmir Valley
Authors: Bhat Sami Ullah , Dar Shahid Ahmad , Hamid Aadil 
Published: April 2022

AbstractWith growing water scarcity, jeopardized by climate change, springs are likely to perform a vital role in meeting the domestic water demand in future. This paper examines the water quality status of Kashmir valley springs in relation to their geographical location, regional hydrogeological conditions, anthropogenic activities and climate change. We analyzed data for 258 springs from the whole Kashmir valley using water quality index (WQI) and geographic information system techniques. WQI ranged from 23 (excellent water) to 537 (water unsuitable for drinking). The WQI indicated that 39.5% of the springs had excellent waters, 47.7% had good water, 5% had poor water, 1.6% had very-poor water, and 6.2% of the springs had water unfit for drinking purposes. The Piper diagram identified Ca–Mg–HCO3, Ca–Mg–SO4, and Na–HCO3 as the most predominant hydro-chemical facies, whereas Gibbs diagram revealed that the water of springs in the study region is mainly controlled by rock weathering dominance. The results of the study offer inputs about the water quality to be used by the concerned departments and agencies at a bigger scale for drinking purposes. Our findings therefore suggest that springs which are in thousands in Kashmir landscape have the potential to offer viable solution to the rising drinking water demand and therefore merit an attention for their protection and management.
Output feedback model predictive control for Hammerstein model with bounded disturbance
Authors: Ding Baocang , Wang Jun , Su Benji 
Published: April 2022

AbstractThis paper proposes two model predictive control (MPC) methods for a Hammerstein model with both unmeasurable state and bounded disturbance. First, a dynamic output feedback MPC is designed such that the dynamics of the state estimation error is decoupled from that of the estimated state. Hence, the separation principle holds and a part of the controller parameters can be designed off‐line. Second, a case is considered where Hammerstein nonlinearity is not exactly inverted, that is, a reserved static nonlinearity exists in the closed‐loop system. This reserved nonlinearity is merged into a polytopic description in combination with the linear dynamic part. The control move is then parameterized as a feedback law followed by the approximate inverse of Hammerstein nonlinearity. The recursive feasibility and closed‐loop stability of both approaches are guaranteed. Numerical examples are given in order to show effectiveness of the proposed approaches.
A wide range on‐line energy acquisition method for transmission lines based on resonant choke coil
Authors: Liu Zheng , Tan HengJing , Fan ShaoSheng 
Published: April 2022

AbstractTo the traditional transmission line induction energy acquisition method, large starting current and small output power are the key problems that hinder its wide application in transmission line detection system or detection robot. This paper proposes a wide range on‐line energy acquisition method to solve the problems. By analysing, how large the impedance of the transmission line determines how much power can be transmitted into the parallel connected devices. The novel method tries to couple a high impedance into the transmission line by using a choke coil that is parallel resonated with a matching capacitor. Consequently, the current shunt to the parallel‐connected load will increase and the power output can be significantly improved. Simulation and experiment results show that the novel method can harvest more output power than the conventional inductive acquisition method under the condition of the same bus current and the same magnetic core.
Target priority based optimisation of radar resources for networked air defence systems
Authors: Tuncer Ozgur , Cirpan Hakan Ali 
Published: April 2022

AbstractAir Defence System (ADS) effectiveness relies not only on weapon and sensor performances but also on effective usage of those resources. In an ADS Network, several ADS are deployed in an overlapping coverage in order to increase the protection of defended assets (DA). Limited tracking capacity of ADS fire control radars leads to a limited engagement capability of the whole ADS network. In this paper, a radar resource optimisation algorithm is proposed for networked ADS fire control radars in order to apply an adaptive tracking strategy for threatening targets under the constraint of tracking capacity limitation for each fire control radar. Threat posed by the targets is calculated using a Fuzzy Logic System (FLS) that takes into account the variables related to threat as well as DAs. An optimisation strategy is utilised in order to select the minimum number of tracking radars that will minimise the cost function formed by tracking quality metrics related to threat priorities and Bayesian Cramér–Rao lower bound (BCRLB). Proposed algorithm dynamically selects target tracking quality and minimises tracking resources in an ADS by utilising surrogate optimisation suitable for real‐time implementation. Simulation results are given in order to show the improvement in defence effectiveness of networked ADS.
Preclinical Safety Evaluation: Acute and Repeated-Dose Toxicity of a
New Intranasal Recombinant Vector Vaccine TB/FLU-04L Against
Tuberculosis
Authors: Stosman Kira , Sivak Konstantin , Aleksandrov Andrey , Buzitskaya Zhanna , Rassokha Tatyana , Stukova Marina 
Published: April 2022

Abstract
Background Vaccination against tuberculosis is one of the most successful
medical measures to reduce morbidity and mortality. The BCG vaccine has been in
use for more than 100 years, but its efficacy is still controversial. New
vaccine candidates may offer better protection than available BCG vaccine. In
this work, we studied the acute and the repeated-dose toxicity study of a new
vector vaccine TB/Flu-04L against tuberculosis.
Materials and Methods The study was conducted on 60 BALB/c mice
and 150 Wistar rats. The vaccine was administered intranasally and intravenously
for the acute toxicity study. For the repeated-dose toxicity study, rats were
intranasally immunized by 6.5 log10 TCID50 or 7.5
log10 TCID50 three times with 21-day intervals.
Mortality, temperature, body weight, food and water consumption, hematological
and biochemical parameters, urine analysis, as well as cardiovascular,
respiratory, and central nervous system parameters were evaluated. A macroscopic
examination of internal organs was performed.
Results The TB/FLU-04L vaccine did not cause death among the mice
and rats in the acute toxicity study. There were no pathological abnormalities
in animal condition, behavior, food and water consumption, temperature, and body
weight during the observation period. The results suggest that intranasal
repeated-dose administration of the TB/FLU-04L vaccine does not exhibit
significant toxicity in rats.Hematological and biochemistry analysis and the histological examination
identified no toxicity-associated changes.
Conclusions The toxicity study in mice and rats showed that the intranasal
vector vaccine TB/FLU-04L had no toxic effect. The tests confirm no
adverse effects for laboratory animals in the studied parameters.
Das akute Koronarsyndrom in der präklinischen Notfallmedizin
Authors: Schieffer Bernhard , Kreutz Julian , Markus Birgit , Schäfer Ann-Christin 
Published: April 2022

ZusammenfassungDas akute Koronarsyndrom (ACS) ist eine häufige Arbeitsdiagnose in der präklinischen Notfallmedizin. Durch den potenziell lebensbedrohlichen Verlauf sind eine schnelle Diagnostik und
Einleitung von Therapiemaßnahmen entscheidend. Dabei stehen extrahospital antithrombotische Medikamente und eine Therapie der Begleitsymptomatik im Vordergrund. Ein zügiger Transport in die
Klinik für eine perkutane Koronarintervention (PCI) ist notwendig.
A Lucky Case of Successful Free Fibula Osteocutaneous Flap Harvest in Peronea Arteria Magna
Authors: Rosli Mohamad Aizat , Wan Sulaiman Wan Azman , Halim Ahmad Sukari 
Published: April 2022

AbstractThe free fibula flap (FFF) is based on the peroneal artery (PA) system, and it is well known that several anatomical variations of the lower limb vascular system exist, including peronea arteria magna (PAM). PAM is a rare congenital variation in which both anterior tibial artery and posterior tibial artery are either aplastic or hypoplastic, and as a result, PA will be the dominant blood supply to the foot. This variation was described as type III-C in Kim-Lippert's Classification of the Infra-Popliteal Arterial Branching Variations. The awareness of its existence is crucial as it often precludes FFF from being harvested due to the risk of significant limb ischemia and limb loss. Despite some literature reporting donor site complications and impending limb loss following FFF harvest in PAM, preoperative vascular mapping before FFF transfer remains controversial among the microsurgeons. We present a case with an incidental intraoperative finding of PAM that had a successful FFF harvest by luck, without preoperative vascular mapping.
Lessons learnt applying a systemic functional model to teaching and learning in school contexts over the last thirty years
Authors: Dare Brian , Polias John 
Published: April 2022

AbstractIn this paper we look back at our work over the last thirty years as education consultants in a range of educational contexts in which we sought to promote an explicit, language-based approach to teaching and learning. We trace our pathway from the earliest days of meeting systemic functional theory and its potential application in education to recent times where we now are able to offer a suite of professional development programmes designed to build the capacity of teachers and students to understand how language works to make meaning. We reflect on the many challenges of re-contextualising such an elaborate model of language in educational contexts: challenges that embrace the pedagogical, the political and the logistical among others. The intent is to highlight the affordances we have seen while working closely with teachers over the years in the hope that others will be inspired to continue the work.
Fast heritability estimation based on MINQUE and batch training
Authors: Tang Mingsheng , Hou Tingting , Tong Xiaoran , Shen Xiaoxi , Zhang Xuefen , Wang Tong , Lu Qing 
Published: April 2022

Abstract
Heritability, the proportion of phenotypic variance explained by genome-wide single nucleotide polymorphisms (SNPs) in unrelated individuals, is an important measure of the genetic contribution to human diseases and plays a critical role in studying the genetic architecture of human diseases. Linear mixed model (LMM) has been widely used for SNP heritability estimation, where variance component parameters are commonly estimated by using a restricted maximum likelihood (REML) method. REML is an iterative optimization algorithm, which is computationally intensive when applied to large-scale datasets (e.g. UK Biobank). To facilitate the heritability analysis of large-scale genetic datasets, we develop a fast approach, minimum norm quadratic unbiased estimator (MINQUE) with batch training, to estimate variance components from LMM (LMM.MNQ.BCH). In LMM.MNQ.BCH, the parameters are estimated by MINQUE, which has a closed-form solution for fast computation and has no convergence issue. Batch training has also been adopted in LMM.MNQ.BCH to accelerate the computation for large-scale genetic datasets. Through simulations and real data analysis, we demonstrate that LMM.MNQ.BCH is much faster than two existing approaches, GCTA and BOLT-REML.
Determination of Venetoclax Concentration in Plasma Using High-Performance Liquid Chromatography
Authors: Yasu Takeo , Gando Yoshito , Nomura Yuka , Kosugi Nobuharu , Kobayashi Masayuki 
Published: April 2022

Abstract
Venetoclax is an oral B-cell lymphoma-2 protein inhibitor. It is a key drug for the treatment of chronic lymphocytic leukemia and acute myeloid leukemia. However, venetoclax is administered at a fixed dose, irrespective of body surface area or weight. Furthermore, the plasma concentration of venetoclax varies widely between individuals and is influenced by diet. Therefore, individualized dosing using therapeutic drug monitoring (TDM) may help to optimize treatment in clinical practice. In this study, we aimed to develop a simple method to determine venetoclax concentrations in plasma. The analysis required the extraction of a 50-μL plasma sample and precipitation of proteins using acetonitrile extraction. Venetoclax and the internal standard (12.5-μg/mL ibrutinib) were separated by high-performance liquid chromatography (HPLC). The calibration curve was linear over the plasma venetoclax concentration range 0.25–10 μg/mL with a coefficient of determination (r2) of 0.9999. The coefficients of intra-day and inter-day validation were 0.8–4.1% and 1.3–3.3%, respectively. The assay accuracy was −2.8 to 1.6%, and the recovery was &gt;97.2%. These results demonstrate a very simple, novel and sensitive HPLC-UV-based method for determining the concentration of plasma venetoclax, and confirm its applicability to the TDM of venetoclax in a clinical setting.
Novel somatic PBX1 mosaicism likely masking syndromic CAKUT in an adult with bilateral kidney hypoplasia
Authors: Petzold Friederike , Jin Wenjun , Hantmann Elena , Korbach Katharina , Schönauer Ria , Halbritter Jan 
Published: April 2022

ABSTRACT

Background
Congenital abnormalities of the kidney and urinary tract (CAKUT) are characterized by vast phenotypic heterogeneity and incomplete penetrance. Although CAKUT represent the main cause of pediatric chronic kidney disease, only ∼20% can be explained by single-gene disorders to date. While pathogenic alterations of PBX1 were recently associated with a severe form of syndromic CAKUT, most CAKUT patients survive childhood and adolescence to reach end-stage kidney disease later in life. Although somatic mosaicism is known to attenuate severity in other kidney diseases, it has rarely been described or systematically been assessed in CAKUT.

Methods
We conducted an in-depth phenotypic characterization of the index patient and his family using targeted next-generation sequencing, segregation analysis and workup of mosaicism with DNA isolated from peripheral blood cells, oral mucosa and cultured urinary renal epithelial cells (URECs).

Results
Somatic mosaicism was identified in a 20-year-old male with sporadic but mild syndromic renal hypoplasia. He was found to carry a novel de novo truncating variant in PBX1 [c.992C&gt;A, p.(Ser331*)]. This variant was detected in 26% of sequencing reads from blood cells, 50% from oral mucosa and 20% from cultured URECs.

Conclusions
PBX1-associated CAKUT is characterized by a wealth of de novo mutations. As in de novo cases, mutations can occur intra- or post-zygotically and genetic mosaicism might represent a more common phenomenon in PBX1 disease, accounting for variable expressivity on a general basis. Consequently we suggest ruling out somatic mosaicism in sporadic CAKUT, notably in attenuated and atypical clinical courses.
Gestational Exposure to Perchlorate in the Rat: Thyroid Hormones in Fetal Thyroid Gland, Serum, and Brain
Authors: Gilbert Mary E , Hassan Iman , Wood Carmen , O’Shaughnessy Katherine L , Spring Stephanie , Thomas Susan , Ford Jermaine 
Published: April 2022

Abstract
Iodine is essential for the production of thyroid hormones. Perchlorate is an environmental contaminant that interferes with iodine uptake into the thyroid gland to reduce thyroid hormone synthesis. As thyroid hormones are critical for brain development, exposure to perchlorate during pregnancy is of concern for the developing fetal brain. In this study, we (1) define profiles of thyroid hormone in the maternal and fetal compartments of pregnant rats in response to inhibition of the sodium-iodide symporter (NIS) by perchlorate and (2) expand inquiry previously limited to serum to include fetal thyroid gland and brain. Perchlorate was added to the drinking water (0, 1, 30, 300, and 1000 ppm) of pregnant rat dams from gestational days (GD) 6–20. On GD20, blood, thyroid gland, and brain were collected from the fetus and dam for thyroid hormone and molecular analyses. Thyroid gland and serum thyroid hormones were dose-dependently reduced, with steeper declines evident in the fetus than in the dam. The thyroid gland revealed perturbations of thyroid hormone-action with greater sensitivity in the fetus than the dam. Thyroid hormones and thyroid hormone-responsive gene expression were reduced in the fetal cortex portending effects on brain development. These findings are the first quantitative assessments of perchlorate-induced deficits in the fetal thyroid gland and fetal brain. We provide a conceptual framework to develop a quantitative NIS adverse outcome pathway for serum thyroid hormone deficits and the potential to impact the fetal brain. Such a framework may also serve to facilitate the translation of in vitro bioactivity to the downstream in vivo consequences of NIS inhibition in the developing fetus.
Autobiographical memory predicts postsurgical pain up to 12 months after major surgery
Authors: Waisman Anna , Kleiman Valery , Slepian P. Maxwell , Clarke Hance , Katz Joel 
Published: April 2022

Abstract
Recent cross-sectional studies have identified differences in autobiographical memory (AM) among individuals with chronic pain, but the temporal relationship between the 2 is unknown. Moreover, AM has yet to be studied in patients undergoing major surgery. This study addressed these gaps by conducting a prospective, longitudinal study of memory performance, postsurgical pain, and psychosocial factors in 97 adult participants scheduled for major surgery. Memories were evaluated using the Autobiographical Memory Test before and one month after surgery when participants were asked to recall personal events related to positive and pain-related word cues. Responses were coded for level of specificity, emotional valence, and surgery-related content. Questionnaires assessing presence/absence of pain and psychological functioning were administered before and at 1-, 3-, 6-, and 12-month follow-ups. Generalized estimating equations modelled pain at each postsurgical time point with memory variables as predictors. As hypothesized, higher numbers of specific pain memories recalled before surgery predicted lower odds of pain across all time points (OR = 0.58, 95% CI [0.37-0.91]). Participants who took longer to recall pain memories before surgery (OR = 2.65, 95% CI [1.31-5.37]) and those who produced more surgery-related content at the one-month assessment (OR = 1.31, 95% CI [1.02-1.68]) had greater odds of reporting postsurgical pain up to 12 months later. These findings indicate that presurgical AM biases are risk factors for development and maintenance of postsurgical pain. To the extent that these biases are causal, presurgical interventions that modify the quality and content of patients' memories may prove to be promising strategies in the prevention of chronic postsurgical pain.