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Population-based hospitalization burden estimates for respiratory viruses, 2015-2019
Richard Zimmerman
GK Balasubramani

Richard Zimmerman

and 12 more

July 11, 2022
Background: Acute respiratory infections (ARIs) result in millions of illnesses and hundreds of thousands of hospitalizations annually in the US. The responsible viruses include influenza, parainfluenza, human metapneumovirus, coronaviruses, respiratory syncytial virus (RSV), and human rhinoviruses. This study estimated the population-based hospitalization burden of 18 respiratory viruses (RV) over 4 years, from 7/1/2015 to 6/30/2019 among adults ≥18 years of age for Allegheny County (Pittsburgh), Pennsylvania. Methods: We used population-based statewide hospital discharge data, health system electronic medical record (EMR) data for RV tests, census data, and a published method to calculate burden. Results: Among 26,211 eligible RV tests, 67.6% were negative for any virus. The viruses detected were rhinovirus/enterovirus (2,552; 30.1%), influenza A (2,299; 27.1%), RSV (1,082; 12.7%), human metapneumovirus (832; 9.8%), parainfluenza (601; 7.1%), influenza B (565; 6.7%), non-SARS-CoV-2 coronavirus (420; 4.9% 1.5 years of data available), and adenovirus (136; 1.6%). Most tests were among female (58%) and white (71%) patients with 60% of patients ≥65 years, 24% 50-64 years and 16% 18-49 years. The annual burden, ranged from 137-174/100,000 population for rhinovirus/enterovirus; 99-182/100,000 for influenza A; 56-81/100,000 for RSV. Among adults <65 years, rhinovirus/enterovirus hospitalization burden was higher than influenza A; whereas the reverse was true for adults ≥65 years. RV hospitalization burden increased with increasing age. Conclusions: These virus-specific ARI population-based hospital burden estimates showed significant non-influenza burden. These estimates can serve as the basis for several areas of research that are essential for setting funding priorities and guiding public health policy.
Genetic and serological evidence of Crimean-Congo Hemorrhagic Fever Virus circulation...
Olanrewaju Eyitayo Igah
Chinyere, Chinonyerem N

Olanrewaju Eyitayo Igah

and 6 more

July 11, 2022
Crimean - Congo haemorrhagic fever virus (CCHFV) is a tick-borne viral haemorrhagic febrile disease that is highly pathogenic in humans with enzootic cycle between tick vectors and animal hosts. Human infection with CCHFV takes the clinical form of viral haemorrhagic disease, a major health condition but with limited testing in Nigeria. In this study, blood samples were collected from 333 pastoralists’ cattle in North Central Nigeria and 1,470 ticks were picked from the animals. For serology, Enzyme Linked Immuno Sorbent Assay (ELISA) was performed using a double antigen multi species ELISA kit with sensitivity and specificity of 98.9% and 95% respectively at 95% confidence interval to detect IgG antibody to CCHFV in plasma. RT-qPCR virological technique was used to identify viral antigen in ticks that were pooled based on location and genus. Four species of ticks were morphologically identified to parasitize cattle in the sampled location namely; Rhipicephalus ( Boophilus) decoloratus (34.6%), Hyalomma truncatum (32.9%), Amblyomma variegatum (24.6%) and Rhipicephalus sanguineus (8%). The seroprevalence of CCHFV was found to be 67%. In Kaduna state, 85 of 108 plasma samples tested positive (78.7%) while in Plateau state 138 of 225 plasma samples tested positive (61.3%). Of the 41 pools of tick tested for CCHF, one (1) pool of 35 Rhipicephalus ( Boophilus) ticks (2.4%) was positive for CCHF virus with qPCR cycle threshold of 31.88. Although Hyalomma spp. is documented to be the main vector of CCHFV, in the present investigation, Rhipicephalus ( Boophilus) species was identified to play a role as reservoir of CCHF. The high seroprevalence of CCHF in livestock underscores the public health risk associated with CCHFV at the human-animal interface in Nigeria.
Dietary and temporal partitioning facilitate sympatric coexistence of carnivore assem...
Zhong Hua
Fengjiao Li

Zhong Hua

and 3 more

July 11, 2022
Carnivore communities are extremely important for maintaining the structure/function of ecosystems. Exploring the carnivore coexistence can provide the data needed for the development of effective conservation strategies for endangered species. We aimed to (1) reveal the dietary composition of a carnivore community that inhabits the Everest region by analyzing molecular diets, (2) assess activity patterns by analyzing camera-trapping records. Dietary analysis revealed 22 food MOTUs of 7 orders and 2 classes. Snow leopard and wolf mainly preyed on ungulate mammals (%PR = 61%, 50%), while lynx and red fox mainly consumed small mammals (%PR = 62%, 76%). Higher dietary overlap (Pianka’s index = 0.95 ~ 0.97) was observed between similar-sized predators (snow leopard versus wolf, lynx versus fox); and there was no dietary difference between them (P > 0.05). Lower dietary overlap (Pianka’s index = 0.53 ~ 0.67) was observed between predators with large body size difference (snow leopard versus lynx, snow leopard versus red fox, wolf versus fox); and dietary difference was significant (P < 0.01), indicating the existence of dietary partitioning. In activity pattern analysis, predators exhibited higher temporal overlap with the more frequently consumed prey species, indicating that predator activity can be regulated by prey availability. Snow leopard and wolf had the higher activity overlap (Δ = 0.87) suggesting the lack of temporal partitioning. Red fox had the lower coefficients of overlap with snow leopard and wolf (Δ = 0.60, Δ = 0.59), suggesting that fox temporally avoid snow leopard and wolf slightly. We revealed the coexistence mechanisms of a carnivore community in the Everest region, by confirming that sympatric coexistence was facilitated by both dietary and temporal partitioning. These results will help to increase understanding of carnivore communities, and provide the scientific foundation for the conservation of threatened species in the Mount Everest region.
Predicting geographic distribution and habitat suitability of Opuntia streptacantha i...
Israel Cruz-Jiménez
Pablo Delgado-Sánchez

Israel Cruz-Jiménez

and 5 more

July 11, 2022
1. Mexican territory is one of the centers of origin and dispersion of the genus Opuntia, where several of its species have been an important plant resource for people in arid and semi-arid zones. Opuntia streptacantha is widely distributed in Mexico, however, precise aspects of its geographic distribution and ecological status are still unknown. 2. Here, we modeled its potential distribution under paleoclimatic, current, and future conditions through maximum entropy and predictions from 825 records and seven environmental variables. 3. Potential distribution of Opuntia streptacantha in the interglacial period was contracted and slightly north than current distribution, with 42,850 km2 of optimal habitat including 27 km2 of very suitable habitat. 4. In other periods the central location of potential distribution coincides with the actual current distribution, but the period of the last glacial maximum was characterized by 282 km2 of very suitable habitat, absent in current and future periods. 5. Synthesis and applications. Our findings are relevant in the identification of regions where O. streptacantha may exist but has not yet been detected, in areas where it can potentially spread, suitable habitats due to climate change, and in the selection of areas for protection, conservation, and reproduction of species resistant to the hostile conditions of arid and semi-arid zones of Mexican territory, where the structure and composition of the vegetation will be affected in the next 100 years.
A cubic B-spline finite element method for a class of fourth order nonlinear differen...
Dandan Qin
Wenzhu Huang

Dandan Qin

and 1 more

July 11, 2022
In this paper, the cubic B-spline element method is proposed for a class of fourth order nonlinear parabolic problem with variable coefficient. We prove the boundness of the approximate solutions of the semi-discrete and fully discrete finite element schemes. The boundness is the basis of error analysis of nonlinear parabolic problem, especially in the case of fourth order term with variable coefficient. The error estimates are discussed by constructing the energy functional in $L^2$ norm and $H^2$ norm. Numerical results confirm our results of theoretical analysis.
Research progress of stress echocardiography in coronary heart disease
Hua Zhang
Shaodong Qiu

Hua Zhang

and 2 more

July 11, 2022
:Coronary heart disease (CHD) affects a wide population and has a high mortality rate, which seriously threatens the life safety of patients. Early diagnosis and effective treatment can significantly improve the survival and prognosis of the CHD patients. At present, it is mainly judged by detecting various myocardial biomarkers, myocardial movement and coronary blood flow. Stress echocardiography (SE) is one of the commonly used detection methods. It can not only judge the severity of coronary stenosis, but also evaluate myocardial survival and distinguish hibernating myocardium and stunned myocardium. In recent years, it has also emerged in non-coronary heart disease such as artificial valve and hypertrophic cardiomyopathy. This article briefly reviews the principle and classification of SE, and it mainly discusses its important value in the diagnosis and prognosis of CHD.
Using seconds-resolved pharmacokinetic datasets to assess pharmacokinetic models enco...
Matthew McDonough
Sophie Stocker

Matthew McDonough

and 4 more

July 11, 2022
Aim Pharmacokinetics have historically been assessed using drug concentration data obtained via blood draws and bench-top analysis. The cumbersome nature of these typically constrains studies to at most a dozen concentration measurements per dosing event. This, in turn, limits our statistical power in the detection of hours-scale, time-varying physiological processes. Given recent advent of in-vivo electrochemical aptamer-based (EAB) sensors, however, we can now obtain hundreds of concentration measurements per administration. Our aim in this paper is to assess the ability of these time-dense datasets to describe time-varying pharmacokinetic models with good statistical significance. Methods Here we use seconds-resolved measurements of plasma tobramycin concentrations in rats to statistically compare traditional one- and two-compartmental pharmacokinetic models to new models in which the proportional relationship between a drug’s plasma concentration and its elimination rate varies in response to changing kidney function. Results We find that a modified one-compartment model in which the proportionality between the plasma concentration of tobramycin and its elimination rate falls reciprocally with time either meets or is preferred over the standard two-compartment pharmacokinetic model for half of the datasets characterized. When we reduce the impact of the drug’s rapid distribution phase on the model, this one-compartment, time-varying model is statistically preferred over or tied with the standard two-compartment model for 80% of our datasets. Conclusions Our results highlight both the impact that simple physiological changes (such as varying kidney function) can have on drug pharmacokinetics and the ability of high-time-resolution EAB sensor measurements to identify such impacts.
Vacuolar Phosphate Transporter1 (VvVPT1) positively regulates grape berry soluble sug...
Qian Bai
Zhenzhen Zheng

Qian Bai

and 6 more

July 11, 2022
Vacuolar Phosphate Transporter1 (VPT1)-mediated phosphate uptake in the vacuoles is essential to plant development and fruit ripening. Interestingly, in this study, we find that the VvVPT1 protein positively regulates grape berry soluble sugar accumulation.    
Lipidomic remodeling of contrasting maize (Zea mays L.) hybrids under repeated drough...
Markus Kränzlein
Sandra Schmöckel

Markus Kränzlein

and 7 more

July 11, 2022
The role of recovery after drought has been proposed to play a more prominent role during the whole drought-adaption process than previously thought. Two maize hybrids with comparable growth but contrasting physiological responses were investigated using physiological, metabolic and lipidomic tools to understand the plants' strategies of lipid remodeling in response to repeated drought stimuli. Profound differences in adaptation between hybrids were discovered during the recovery phase of lipidomic adaptation, which likely gave rise to different degrees of sensitivity to the subsequent drought event. These differences in adaptation are visible in galactolipid metabolism and fatty acid saturation patterns during recovery and may lead to a lipidomic dysregulation in the sensitive maize hybrid. Moreover, the more drought tolerant hybrid displays more changes of metabolite and lipid abundance with higher number of differences within individual lipids, despite of a lower physiological response, while the responses in the sensitive hybrid are higher in magnitude, but lower in significance on the level of individual lipids and metabolites. This study suggests that lipid remodeling during recovery plays a key role in the drought response of plants.
Regularity Criterion for the Liquid Crystal Flow in $\mathbb{R}^3$}
Yueli Liu
Shanshan Huang

Yueli Liu

and 1 more

July 11, 2022
We obtain that a weak solution $(u,d)$ to the Liquid Crystal system is strong, if any two components of $u$ and $\nabla d$ satisfy Ladyzhenskaya-Prodi-Serrin’s condition, that is $$\|u^1\|_{L^{r,s}}+\|u^2\|_{L^{r,s}}+\|\nabla d\|_{L^{r,s}}\leq \infty, \qquad\frac{3}{r}+\frac{2}{s}\leq1.$$ We also prove that the velocity $u$ is bounded locally if any two comonents of $u$ and $\nabla d$ belong to $L^{6,\infty}$ and $u$ belongs to $L^{2+\delta}$ ($\delta>0$).
Optimal control strategies for the reliable and competitive mathematical analysis of...
Azhar Iqbal Kashif BUTT
Muhammad Imran

Azhar Iqbal Kashif BUTT

and 3 more

July 11, 2022
To understand dynamics of the COVID-19 disease realistically, a new SEIAPHR model has been proposed in this article where the infectious individuals have been categorized as symptomatic, asymptomatic and super-spreaders. The model has been investigated for existence of a unique solution. To measure the contagiousness of COVID-19, reproduction number R0 is also computed using next generation matrix method. It is shown that model is locally stable at disease free equilibrium point when R0 <1 and unstable for R0 >1. The model has been analyzed for global stability at both of the disease free and endemic equilibrium points. Sensitivity analysis is also included to examine the effect of parameters of the model on reproduction number R0. Couple of optimal control problems have been designed to study the effect of control strategies for disease control and eradication from the society. Numerical results show that the adopted control approaches are much effective in reducing new infections.
Anisohydric characteristics of a rice genotype ‘ARC 11094’ contribute to increased ph...
Kazuki Taniyoshi
Yu Tanaka

Kazuki Taniyoshi

and 3 more

July 11, 2022
Photosynthetic induction, which is the response of the CO 2 assimilation rate to a stepwise increase in light intensity, potentially affects plant carbon gain and crop productivity in field environments. Although natural variations in photosynthetic induction are determined by CO 2 supply and its fixation, detailed factors, especially CO 2 supply, are unclear. This study investigated photosynthesis at steady and non-steady states in three rice ( Oryza sativa L.) genotypes: ARC 11094, Takanari, and Koshihikari. Stomatal traits and water relations in the plants were evaluated to characterise CO 2 supply. Photosynthetic induction was higher in ARC 11094 and Takanari than in Koshihikari owing to an efficient CO 2 supply. The CO 2 supply in Takanari is attributed to its high stomatal density, long guard cell length, and extensive root mass, whereas that in ARC 11094 is attributed to its high stomatal conductance per stoma and stomatal opening in leaves with insufficient water (i.e. anisohydric stomatal behaviour). Our results suggest that there are various mechanisms for realising an efficient CO 2 supply during the induction response. These characteristics can be useful for improving photosynthetic induction and, thus, crop productivity in field environments in future breeding programs.
Spatial metabolomics reveals potential biomarkers for red secretory cavities in Atrac...
Daiquan Jiang
Zhen-Hua Liu

Daiquan Jiang

and 11 more

July 11, 2022
Atractylodes lancea, known as Cangzhu in Chinese , has been widely used in the traditional Chinese medicine (TCM). The colour of secretory cavity (SC) at Atractylodis Rhizoma (AR) differs greatly among geographic origins and cinnabar-like red SCs of AR is considered of high quality in TCM. However, chemical basis underlying this colour variation across natural accessions and within plant tissues are largely unknown, impeding implications of efficacy of cinnabar-like spots for Cangzhu in TCM. Here, we carried out laser capture microdissection (LCM) based metabolomics on three A. lancea natural accessions with distinct AR colour patterns. Multivariate statistics across various SC types identified three polyacetylenes significantly associated with the red SCs of AR. Mass spectrometry imaging (MSI) further indicated that they are likely the causal compounds underlying the cinnabar-like colour of SCs in A. lancea. We thus provide a clear example of using spatial metabolomics to reveal key metabolite markers associated with important pharmaceutical properties by using very limited number of natural accessions in a non-model plant. It will further guide the elucidation of biosynthetic pathways for polyacetylenes in herbaceous plant A. lancea.
A Case of Recurring Kikuchi Disease and Autoimmune Hepatitis
Umaima  Dhamrah
Branden  Ireifej

Umaima Dhamrah

and 7 more

July 11, 2022
We present a case of a 47-year-old female with a history of diagnosed KD and autoimmune hepatitis 13 years ago who presented with recurrent fevers and a desquamative rash on the lower extremities. Patient has elevated ASMA titer, and a subsequent liver biopsy confirmed the diagnosis of autoimmune hepatitis
The usability of Isparta-Keçiborlu sulphur mine flotation wastes in the reclamation o...
Barış BAHÇECİ
Ìdris Bahçeci

Barış BAHÇECİ

and 1 more

July 11, 2022
This study was carried out on the usability of sulphur mine flotation wastes (SMFW) in the reclamation of calcareous sodic soils. SMFW are formed during the mineral ore beneficiation process and are stored in ponds built around the plant. However, from time to time, there are complaints that SMFW overflows from ponds and damages the environment. SMFW is very acidic (pH =1.0) and, according to chemical tests, it contains free sulphur, iron, and calcium sulphate. Due to these features of SMFW, it is thought that it can be used in calcareous sodic soil rehabilitation and also contribute to the solution of the waste management problem. For this purpose, the field trial was carried out for three years. The soil improvement tests were carried out in random blocks with 3 replicates, and 0, 30, 60, 90, and 120 tons of SMFW per hectare have been used. SMFW raised the infiltration rate of soil by nearly double. At the same time, the effect of SMFW on sodium leaching was very rapid, and exchangeable sodium was removed from the upper layer with 30 cm of leaching water. In conclusion, SMFW improved the physical properties of sodic soils and established low-cost soil reclamation. SMFW doses of 30, 60, 90, and 120 tons per hectare provided exchangeable sodium leach equivalent to 32, 58, 59, and 86 tons of pure gypsum, respectively, and exchangeable sodium percentage (ESP) decreased significantly, particularly in the topsoil layer. These results showed that SMFW can be used in the reclamation of calcareous sodic soils.
A numerical study of Two-Dimensional Magnetized Bioconvective Unsteady fluid flow in...
Waris Khan
Haroon Rasheed

Waris Khan

and 1 more

July 11, 2022
Driven by scientific development, the bio-convection unsteady nanofluid flow has gained enormous attention in research due to its applications in various disciplines such as biosensors, biological polymer synthesis, pharmaceutics, microbial improved oil recovery, and environment-friendly applications. As such, this study aims to investigate the mixed bio-convective magnetized and electrically conducting 2-dimensional flow in view of two extended wall channels subjected to MHD, thermal radiation, and binary chemical reaction effects. A mathematical framework is developed underflow of a nonofluid based on certain conditions. The implication of Soret and Dufour impacts is considered in the model problem. Such a nonlinear mathematical model is tackled by invoking similarity solutions for mass conservation, momentum, temperature, concentration, and micro-organisms expressions. The dimensionless principles (ODEs) are addressed by the efficacy Nactsheim-Swigert shooting along with the iteration process, explicitly through shooting technique (RK-4). The outlines of distinguished emerging constraints on flow fields are offered through the plotted graphic visuals. The impact of physical quantities of engineering interest is offered numerically via tabulated values.
Global existence for semi-linear time fractional σ-evolution equations
Xinhai He
Mei Liu

Xinhai He

and 2 more

July 11, 2022
We investigate the global existence of small data solutions to the Cauchy problem for the semi-linear time fractional σ-evolution equation models with nonlinearity of derivative type and memory. Based on the Lr − Lq estimates obtained in linear problem, and combined with the global iteration method, the global existence of small data solutions is proved under certain conditions of power p. Furthermore, we find that in the low-dimensional case, the limit of our conclusion can match the critical exponent in classical results.
Knowledge, Attitude and Practices among cardiac surgical patients towards Coronavirus...
Danishwar Meena
Pramod Chandolia

Danishwar Meena

and 8 more

July 11, 2022
Abstract: Purpose: This study was conducted to assess the Knowledge, Attitude, and Practice (KAP) of cardiac surgical patients towards the ongoing Coronavirus Disease  (COVID-19) pandemic, as they are among the high-risk group for morbidity and mortality associated with COVID-19. Methods: This cross-sectional survey was conducted from September 2021 to November 2021 at a tertiary care hospital in western Rajasthan. A total of 88 patients were enrolled, and a questionnaire was created with 20 questions to assess KAP towards COVID-19. The KAP of enrolled patients was compared according to age, gender, place of residence, and education status. Results: A total of 88 participants completed the survey questionnaire, of whom 41 were male, and 47 were female. The mean age of the participants was 41.5 years. The mean knowledge score of our study group was 21.49±7.42, the mean attitude score was 4.08±1.84, and the mean practice score was 4.60±0.74. In the subgroup analysis, the difference in the knowledge score was statistically significant (p<0.05) in different age groups, however, the attitude and practice scores were comparable for all the age groups. There was no difference in KAP scores concerning the gender of the participants. KAP scores were significantly higher for the participants residing in urban areas than those from rural places. The KAP scores also showed a statistically significant relationship with the education status of the population (p<0.001). The knowledge score of the participants with graduation and above was 32.50±2.31, whereas the illiterate subgroup scored 13.72±3.15. Similar results were seen in the attitude and practice scores, with the mean values showing a gradual rise with the education status of the study population. Conclusion: This single-center KAP study on COVID-19 among cardiac patients who are considered high risk was able to postulate a comprehensive evaluation. The findings suggest that high-risk patients have decent knowledge scores and an overall optimistic outlook on surviving the pandemic. However, novel and far-reaching awareness programs are required for patients who are less educated and reside in rural areas as they are found to have lower KAP scores. Keywords: KAP, COVID 19, Cardiac surgery, Knowledge, Attitude, Practice
Report of Arias Syndrome: Crigler-Najjar syndrome type II (CN-II)
ASHISH ANJANKAR
NAMRATA  CHOUDHARY

ASHISH ANJANKAR

and 3 more

July 11, 2022
This case concerns 8-year-old boy who reported the chief complaints of severe nausea, persistent sore throat and pain in the abdomen. Laboratory investigation reveals high unconjugated serum bilirubin levels with normal liver function enzymes. One month of oral phenobarbital therapy showed an excellent response and lowered hyperbilirubinemia significantly.
Spontaneous hemothorax in a 10-year-old boy with COVID-19.
Abir Boussetta
Nesrine Abida

Abir Boussetta

and 3 more

July 11, 2022
Spontaneous hemothorax occurs in the absence of trauma or iatrogenic causes. Etiologies of spontaneous hemothorax in children include connective tissue disease, neoplasia and coagulopathy which is associated with thromboembolic events. We present the case of a 10-year-old chronic hemodialysis patient with spontaneous hemothorax with a concurrent COVID 19 infection.
HOW WE APPROACH CONSERVATIVE TREATMENT OF RETINOBLASTOMA IN SOUTH AMERICA IN THE ERA...
Juan López
Claudia Sampor

Juan López

and 19 more

July 11, 2022
Local therapies replaced systemic chemotherapy for ocular preservation in retinoblastoma. In middle income countries, these techniques pose specific challenges mostly related to more advanced disease at diagnosis. The Grupo de America Latina de Oncologia Pediatrica (GALOP developed a consensus document for the management of conservative therapy for retinoblastoma. Intra-arterial chemotherapy (OAC) is the preferred therapy, except those with less advanced disease or age younger than 6 months. OAC allowed for the elimination of the use of external beam radiotherapy in our setting. Intravitreal chemotherapy is the preferred treatment for vitreous seeding. Enucleation is the treatment of choice for advanced eyes.
Plant Phytochemistry Influences the Niche Breadth of Oligophagous Parasitoids (Hymeno...
Ryan Ridenbaugh
Jordan Dowell

Ryan Ridenbaugh

and 5 more

July 11, 2022
The order Hymenoptera is one of, if not the most, species-rich order of animals, primarily driven by the many parasitoid wasps and their unique arthropod hosts. As hosts are necessary for survival, host location and selection have direct fitness implications. Semiochemicals, also known as infochemicals, from either the host herbivore or the plant are just one of many cues that parasitoid wasps use to locate a suitable host. The reliability-detectability hypothesis suggests that infochemicals from the host herbivore are the most reliable indicators of host presence. However, as localized signals, infochemicals are less detectable by parasitoids. Alternatively, infochemicals from plants are detectible over longer distances, although these signals are less reliable indicators of host herbivore presence. In this study, we explore the occurrence of infochemicals emitted by plants and their association with parasitoid host selection. We identified 112 phytochemical compounds extracted from Eucalyptus leaves that had been attacked by leaf beetle herbivores (Chrysomelidae) which had in turn been parasitized by Eadya larval-parasitoid wasps (Braconidae). Using several phylogenetic and statistical approaches, we conclude that host selection in two species of Eadya wasps is heavily influenced by infochemicals from the plant 1st trophic level. With this evidence, we propose amending the reliability-detectability hypothesis to include direct interaction between the 1st and 3rd trophic levels in a scenario where an oligophagous parasitoid utilizes oligophagous hosts.
Density Functional Theory Study on the Catalytic Behavior of OH Functionalized N-Dope...
Thangaraj  Thiruppathiraj
Senthil Kumar L

Thangaraj Thiruppathiraj

and 1 more

July 11, 2022
Catalytic behavior of metal-free Hydroxyl group (OH) functionalized single nitrogen (N-Gra(OH)16), and triple nitrogen (N3-Gra(OH)16) doped graphene surface are investigated in the 4e- reduction pathway under oxygen reduction reaction (ORR) process. The thermodynamical parameters indicate the reaction to be highly exothermic and feasible with the N-Gra(OH)16 and N3-Gra(OH)16 as catalysts. However, N3-Gra(OH)16 shows better catalytic properties than N-Gra(OH)16. First, all reactive species (*O2, *OOH, *O, and *OH) chemisorb via a covalent bond on the N3-Gra(OH)16, which is essential for the efficient reaction kinetics. Secondly, the product H2O is physisorbed on the N3-Gra(OH)16, required for the uninterrupted reaction cycle. Categorically, the N3-Gra(OH)16 shows excellent catalytic activity due to a higher number of nitrogen atoms which has a lowered EHOMO-LUMO gap, concomitantly increasing the surface’s reactivity. Besides the above, the barrier energies are comparable with platinum (Pt) catalyst. Our results show that the N3-Gra(OH)16 surface is the most suitable catalyst for ORR activity.
A superstructure-based approach for integrating work-heat within hydrogen allocation...
Huiquan Hong
Yu Zhuang

Huiquan Hong

and 5 more

July 11, 2022
The use of hydrogen gases has expanded significantly in chemical industry due to its contribution to the decarbonization. The temperatures and pressures of hydrogen gases should be managed to satisfy the different hydrogen consumers that leads to considerable energy consumption. Such a serious challenge highlights the importance of work-heat integration for energy savings of hydrogen networks. Towards this end, a superstructure-based method is proposed for the work-heat integration specific to hydrogen allocation network, wherein the complex thermophysical properties of hydrogen are represented via an accurate surrogate model derived from the data of process simulation. To perform the optimal design of the system, a mixed integer nonlinear programming model is formulated to reflect all considered work-heat interactive relationship and constraints in hydrogen networks. Two examples are studied. 10.8% reduction in the net power consumption and 44.3% decrease in the total annual cost have shown the superiority of the proposed method.
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