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Background: Hereditary transthyretin (ATTRv) amyloidosis is rare, autosomal dominant disease with a fatal outcome if left untreated. Early stages detection is crucial for intervention. We aimed identifying early indexes of cardiac involvement and their eventual correlation with neurological indexes, in pre-symptomatic subjects with TTR gene mutation., Methods: Sixteen TTR-mutation carriers (mean age 51 ± 9 years, 6 males, 7 with Val30Met and 9 with Phe64Leu mutation) without left ventricular hypertrophy were studied. Predicted Age of Disease Onset (PADO) and time to PADO (Time-to PADO = PADO-age at evaluation) were computed. Subjects underwent: cardiological and echocardiographic assessment including global longitudinal strain (GLS); tactile and thermal quantitative sensory testing (QST); Perugini score by bone scintigraphy., Results: Time to PADO was 30 ± 15 years. Nine subjects showed abnormal GLS (> -20%), unrelated to age, LVMi, MWT, E/e', NT-proBNP or Time-to PADO. QST findings were abnormal in most subjects. At a worse cold pain threshold corresponded a worse GLS (r = 0.786, p < 0.001). Perugini score was positive in 1 subject., Conclusions: GLS and QST findings support an early involvement of heart and small nerve fibers even many years before PADO. Interestingly, cardiac impairment seems to parallel that of small, nerve fibers, at least in the earliest stage of disease., Competing Interests: Declarations. Ethics approval and consent to participate: Ethical approval was waived by the local Ethics Committee in view of the retrospective nature of the study and all the procedures being performed were part of the routine care. Consent for publication: Informed consent for publication was waived since data. Competing interests: The authors report there are no competing interests to declare., (© 2024. The Author(s).)

Background: In obstructive hypertrophic cardiomyopathy (HOCM), disopyramide is used in patients who remain symptomatic despite β -blockers or verapamil. However, effectiveness of disopyramide therapy has not been clearly established due to inconsistent definition of responders and the insufficient length of follow-ups reported in literature. To address these shortcomings, we have conducted a retrospective analysis from detailed databases with long follow-up, from two HCM Referral Centers., Methods: 62 symptomatic HOCM patients (43% women, age 52 ± 14 years) with left ventricular (LV) outflow tract gradient (LVOTG) ≥ 50 mmHg at rest or during provocation, were recruited from two Italian Centers. Disopyramide was added as second-line therapy in the patients in whom symptoms persisted despite classic pharmacologic treatment. Patients in NYHA class > II at baseline who reached NYHA class II or I, and patients in NYHA class II at baseline who reached NYHA class I or symptoms stabilization were defined as responders., Results: At follow-up, (mean 4.4 years, IQR 1.1-6.6 years), 47 patients (76%) were responders, whereas 15 (24%) were no-responders. Responders showed larger LV diastolic volume index (LVEDVi) at baseline as compared to no-responders (61 ± 14 vs. 49 ± 16 ml, respectively, p  = 0.018), and, at follow-up, reached lower LVOTG than no-responders (43 ± 32 vs. 66 ± 28 mmHg, respectively, p  = 0.013), with a LVOTG <50 mmHg more represented in responders than in no-responders (75% vs. 25%, respectively; p  = 0.004). No side effects requiring discontinuation of the therapy were recorded., Conclusion: HOCM patients treated with disopyramide as second-line therapy in a quite long-follow-up showed a significant improvement of symptoms, which avoided SRT in up to 70% of them. Moreover, our data suggest that a larger LVEDVi at baseline identify the subgroup of patients who benefit the most from the therapy in terms of symptoms and reduction of LVOTG below 50 mmHg during treatment. We will discuss specific situations where disopyramide may be preferred over myosin inhibition to ensure that effective therapeutic options are fully considered and not prematurely dismissed., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest. The author(s) declared that they were an editorial board member of Frontiers, at the time of submission. This had no impact on the peer review process and the final decision., (© 2024 Todde, Dei, Polizzi, Gabrielli, Canciello, Romano, Borrelli, Halasz, Ordine, Di Napoli, Pacella, Lombardi, Esposito, Re and Losi.)

Hypertrophic cardiomyopathy (HCM) is mainly caused by sarcomeric mutations which may affect myocardial mechano-energetic efficiency (MEE). We investigated the effects of sarcomeric mutations on MEE. A non-invasive pressure/volume (P/V) analysis was performed. We included 49 genetically screened HCM patients. MEEi was calculated as the ratio between stroke volume and heart rate normalized by LV mass. Fifty-seven percent (57%) HCM patients carried a sarcomeric mutation. Patients with and without sarcomeric mutations had similar LV ejection fraction, heart rate, LV mass, and LV outflow gradient. Younger age at diagnosis, family history of HCM, and lower MEEi were associated with presence of sarcomeric mutation (p = 0.017; p = 0.001 and p = 0.0001, respectively). Lower MEEi in HCM with sarcomeric mutation is not related to significant differences on filling pressure as shown on P/V analysis. Sarcomeric mutations determine a reduction of the LV pump performance as estimated by MEEi in HCM. Lower MEEi may predict a positive genetic analysis., (© 2023. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

While considered as hard milkers, both buffaloes and camels are milked with equipment destined for dairy cows based on external morphological similarities with this species. This work aimed to study similarities and differences in milkability traits between Mediterranean buffaloes and Maghrebi she-camels and to evaluate the effect of parity and lactation stage. A total of 422 milk flow curves recorded with an electronic milkmeter (Lactocorder ® ) for both species were accessed. Milking characteristics including milk yield per milking, peak milk flow, average milk flow, duration of the main milking phase, duration of total milking, duration of various phases of milk flow, lag time and time to milk ejection, stripping yield, overmilking time and incidence of bimodal milk flow curves were evaluated for both species. Results showed that the values of milk yield per milking, duration of the main milking phase and duration of total milking were higher in buffaloes (3.98 ± 0.10 kg; 4.07 ± 0.11 min; 9.89 ± 0.21 min, respectively) compared to camels (3.51 ± 0.08 kg; 3.05 ± 0.09 min; 3.76 ± 0.09 min, respectively). However, camels had significantly higher peak and average milk flow (2.45 ± 0.07 kg/min and 1.16 ± 0.03 kg/min, respectively). Camels took significantly less time for milk ejection to occur. Only 15.49% of recorded curves were bimodal in buffaloes while 34.93% of bimodal curves were recorded for camels. Overmilking was significantly higher in buffaloes (3.64 ± 0.21 min vs. 0.29 ± 0.02 min). Parity and lactation stage had a significant effect on most studied milking traits suggesting the need for some particular practices with primiparous animals and animals at different levels of lactation for both species.

Background and Aim: Atrial fibrillation (AF) is the most common sustained arrhythmia in hypertrophic cardiomyopathy (HCM) with significant effects on outcome. We aim to compare the left atrial (LA) diameter measurement with HCM-AF Score in predicting atrial fibrillation (AF) development in HCM., Methods: From the regional cohort of the Campania Region, Italy, 519 HCM patients (38% women, age45 ± 17 years) without history of AF, were enrolled in the study. The primary clinical endpoint was the development of AF, defined as at least 1 episode documented by ECG., Results: During the follow-up (mean 8 ± 6, IQ range 2.5-11.2 years), 99 patients (19%) developed AF. Patients who developed AF were more symptomatic, had higher prevalence of ICD implantation, had larger LA diameter, greater left ventricular (LV) maximal wall thickness and LV outflow tract obstruction (p < 0.01). Both LA diameter and HCM-AF score were higher in patients who developed AF versus those who did not (LA diameter 49 ± 7 versus 43 ± 6 mm; HCM-AF score 22 ± 4 versus 19 ± 4; p < 0.0001); however, ROC curve analysis demonstrated that LA diameter had a significant greater area under the curve than HCM-AF Score (p < 0.0001). At 5 years follow-up, a LA diameter > 46 mm, showed a similar accuracy in predicting AF development of HCM-AF score ≥ 22, which identifies patients at high risk to develop AF., Conclusion: Our analysis shows that LA diameter, a worldwide and simple echocardiographic measure, is capable alone to predict AF development in HCM patients., (Copyright © 2023 Elsevier Ireland Ltd. All rights reserved.)

Modern livestock farm technologies allow operators to have access to a multitude of data thanks to the high number of mobile and fixed sensors available on both the livestock farming machinery and the animals. These data can be consulted via PC, tablet, and smartphone, which must be handheld by the operators, leading to an increase in the time needed for on-field activities. In this scenario, the use of augmented reality smart glasses could allow the visualization of data directly in the field, providing for a hands-free environment for the operator to work. Nevertheless, to visualize specific animal information, a connection between the augmented reality smart glasses and electronic animal identification is needed. Therefore, the main objective of this study was to develop and test a wearable framework, called SmartGlove that is able to link RFID animal tags and augmented reality smart glasses via a Bluetooth connection, allowing the visualization of specific animal data directly in the field. Moreover, another objective of the study was to compare different levels of augmented reality technologies (assisted reality vs. mixed reality) to assess the most suitable solution for livestock management scenarios. For this reason, the developed framework and the related augmented reality smart glasses applications were tested in the laboratory and in the field. Furthermore, the stakeholders' point of view was analyzed using two standard questionnaires, the NASA-Task Load Index and the IBM-Post Study System Usability Questionnaire. The outcomes of the laboratory tests underlined promising results regarding the operating performances of the developed framework, showing no significant differences if compared to a commercial RFID reader. During the on-field trial, all the tested systems were capable of performing the task in a short time frame. Furthermore, the operators underlined the advantages of using the SmartGlove system coupled with the augmented reality smart glasses for the direct on-field visualization of animal data., (© 2023. Springer Nature Limited.)

Aortic stenosis (AS) is a valvular heart disease that significantly contributes to cardiovascular morbidity and mortality worldwide. The condition is characterized by calcification and thickening of the aortic valve leaflets, resulting in a narrowed orifice and increased pressure gradient across the valve. AS typically progresses from a subclinical phase known as aortic sclerosis, where valve calcification occurs without a transvalvular gradient, to a more advanced stage marked by a triad of symptoms: heart failure, syncope, and angina. Echocardiography plays a crucial role in the diagnosis and evaluation of AS, serving as the primary non-invasive imaging modality. However, to minimize misdiagnoses, it is crucial to adhere to a standardized protocol for acquiring echocardiographic images. This is because, despite continuous advances in echocardiographic technology, diagnostic errors still occur during the evaluation of AS, particularly in classifying its severity and hemodynamic characteristics. This review focuses on providing guidance for the imager during the echocardiographic assessment of AS. Firstly, the review will report on how the echo machine should be set to improve image quality and reduce noise and artifacts. Thereafter, the review will report specific emphasis on accurate measurements of left ventricular outflow tract diameter, aortic valve morphology and movement, as well as aortic and left ventricular outflow tract velocities. By considering these key factors, clinicians can ensure consistency and accuracy in the evaluation of AS using echocardiography.

Hypertrophic cardiomyopathy (HCM) is a genetic disease with heterogeneous clinical presentation and prognosis. Within the broad phenotypic expression of HCM, there is a subgroup of patients with a left ventricular (LV) apical aneurysm, which has an estimated prevalence between 2% and 5%. LV apical aneurysm is characterized by an area of apical dyskinesis or akinesis, often associated with regional scarring. To date, the most accepted pathomechanism of this complication is, in absence of coronary artery disease, the high systolic intra-aneurysmal pressure, which, combined with impaired diastolic perfusion from lower stroke volume, results in supply-demand ischemia and myocardial injury. Apical aneurysm is increasingly recognized as a poor prognostic marker; however, the efficacy of prophylactic anticoagulation and/or intracardiac cardioverted defibrillator (ICD) in improving morbidity and mortality is not yet clearly demonstrated. This review aims to elucidate the mechanism, diagnosis and clinical implication of LV aneurysm in patients with HCM.

Smart glasses for augmented reality are digital technology under investigation in the agricultural sector. The potential of augmented reality was underlined, in some scientific contributions, as a support tool for farmers' activities and for the decision-making process. One of the most practical applications studied for augmented reality was in maintenance operations, where the use of smart glasses showed high capability. This work focuses on the evaluation of the performance and applicability of smart glasses with a video see-through display system and testing the device's available functions in agricultural frameworks. In addition, an augmented assistance scenario describing the main steps involved in the functioning of the maintenance operation was developed for milking machine inspection. The audio-video quality, battery life, detection capabilities of markers, and voice control interaction system were evaluated. The results showed the capabilities of smart glasses to reach augmented information from a long distance in a short time interval and to transmit audio and video with a high level of detail, allowing discrimination of small objects during remote assistance with reduced delay. The built maintenance scenario represents an example of augmented reality digital assistance application in the inspection and maintenance of the milking machine. The device performance and the proposed maintenance scenario underline the potential that augmented reality could have in the agricultural sector to assist and guide both farmers and technicians to timely problem solving. This solution fits into the agriculture 4.0 perspective, which is increasingly focused on digital transformation to improve farms' efficiency and sustainability., (© 2022. The Author(s).)

Cardiac surgery is necessary in almost 50% of patients with endocarditis. Early surgery, i.e., the surgery performed during the first hospitalization, is required in the following cases: heart failure secondary to valve regurgitation; S. aureus , fungal organism, or other highly resistant organism infection; heart block, annular or aortic abscess, or destructive penetrating lesions; evidence of persistent infection as manifested by persistent bacteremia or fevers lasting >5 days after onset of appropriate antimicrobial therapy. A 62-year-old man developed a fever (38 °C) 3 days after a transaortic electrophysiological study; blood cultures were positive for S. aureus , and were sensitive to vancomycin and ceftaroline. Antibiotic therapy was started, controlling the fever and the patient's infective and inflammatory profiles well; however, 3 days later, acute aortic regurgitation developed. At transesophageal echocardiography (TEE), a rare condition was revealed-vegetation was attached to the aortic wall, impeding correct aortic valve closure. Cardiac operation was carried out and the time for surgery was discussed; based on the patient's clinically stable condition, and on the infection, which was controlled well by antibiotics therapy, surgery was not performed in emergency circumstance (within 24-48 h)-rather, it was programmed during the hospitalization. A TEE surveillance was initiated, and after 7 days, TEE revealed a new picture, with images of an aortic abscess with small perforation in the right atrium, requiring emergency surgery, carried out 20 h later. In our case, the rapid evolution of the vegetation attached to the aortic wall suggested the following: (1) that the time for the surgery cannot be guided only by clinical procedure but must also be guided by imaging pictures; (2) that strictly TEE surveillance is mandatory in patients with aortic endocarditis not initially referred for emergency surgery.

The objectives of this study were to evaluate and compare the effect of working vacuum levels (35 and 44 kPa) and liners dimensions (mouthpiece lip diameter and overall length, 20-185 and 22-170 mm) on the main milking characteristics of goats. The results highlight that both the working vacuum level and the liner dimension have influenced the milk flow curve parameters. The maximum variations were found for peak flow rate, which increased significantly with liner dimensions of 20-185 mm at a working vacuum level of 44 kPa as well as average milk flow rate and for plateau phase duration. The incorrect adoption of operative parameters and unsuitable milking machine components, might affect the performance of the mechanical milking and negatively affecting animal productions and welfare., (© 2021 The Authors. Animal Science Journal published by John Wiley & Sons Australia, Ltd on behalf of Japanese Society of Animal Science.)

FMS-like tyrosine kinase 3 (FLT3) is mutated in ∼30% of patients that suffer from acute myeloid leukemia (AML). In about 25% of all AML patients, in-frame insertions are observed in the sequence. Most of those insertions are internal tandem duplications (ITDs) of a sequence from the protein. The characteristics of such mutations in terms of length, sequence, and location were hitherto studied in different populations, but not in a comprehensive mutation database. Here, in-frame insertions into the FLT3 gene were extracted from the Catalogue of Somatic Mutations in Cancer (COSMIC) database. These were analyzed with respect to the length, location, and sequence of the mutations. Furthermore, characteristic strings (sequences) of different lengths were identified. Mutations were shown to occur most often in the juxtamembrane zipper (JM-Z) domain of FLT3, followed by the hinge domain and first tyrosine kinase domain (TKD1), upstream of the phosphate-binding loop (P-loop). Interestingly, there are specific hot spot residues where insertions are more likely to occur. The insertions vary in length between one and 67 amino acids, with the largest insertions spanning the phosphate binding loop. Insertions that occur downstream of the P-loop are shorter. Our analysis further shows that acidic and aromatic residues are enriched in the insertions. Finally, molecular dynamics simulations were run for FLT3 with ITD insertions in the hinge and tyrosine kinase domains. On the basis of the findings, a mechanism is proposed for activation by ITDs, according to which there is no direct coupling between the length of the insertion and the activity of the mutated protein. The effect of insertions on the sensitivity of FLT3 to kinase inhibitors is discussed based on our findings.

Mechanical milking is a critical operation in ewe dairy farming where the operative parameters and the milking routine strongly influence milk production and animal welfare. The challenge in adapting dairy animals to the farm environmental conditions may cause illness and compromise the quality of the products. From this perspective, it is important to evaluate the technological and operational aspects that can influence milk quality and animal welfare. Thus, the aim of this work was to investigate the effects on the pulsation curve of several teat cup characteristics (volume of the pulsation chamber) at determined operating parameters (vacuum level and pulsator rate) recorded from nine different milking units. Moreover, the touch point pressure of different liners was measured. Data analysis showed that the sheep milking unit characteristics affected the pulsation curve significantly. The length of both the increasing vacuum phase and the decreasing vacuum phase (phase "a" and "c", respectively), which affect the milking and massage phases, was directly related to the pulsation chamber volume (R 2 = 0.86) and the pulsator rate. No relationship emerged between the touch point pressure and specific characteristics of the liners such as the material, the shape, the diameter, the length, or the extension of the body. Considering the delicate role that the pulsation plays in ensuring animal welfare during milking, it is important to take into account the complete configuration and operative characteristics of the milking units. This will ensure that the complex interaction between the pulsation system and the milking units is considered when planning and assembling milking systems.

The growing interest in Augmented Reality (AR) systems is becoming increasingly evident in all production sectors. However, to the authors' knowledge, a literature gap has been found with regard to the application of smart glasses for AR in the agriculture and livestock sector. In fact, this technology allows farmers to manage animal husbandry in line with precision agriculture principles. The aim of this study was to evaluate the performances of an AR head-wearable device as a valuable and integrative tool in precision livestock farming. In this study, the GlassUp F4 Smart Glasses (F4SG) for AR were explored. Laboratory and farm tests were performed to evaluate the implementation of this new technology in livestock farms. The results highlighted several advantages of F4SG applications in farm activities. The clear and fast readability of the information related to a single issue, combined with the large number of readings that SG performed, allowed F4SG adoption even in large farms. In addition, the 7 h of battery life and the good quality of audio-video features highlighted their valuable attitude in remote assistance, supporting farmers on the field. Nevertheless, other studies are required to provide more findings for future development of software applications specifically designed for agricultural purposes., Competing Interests: The authors declare no conflict of interest.

The aberrant expression of FLT3 tyrosine kinase is associated primarily with acute myeloid leukaemia. This blood malignancy is often related to the onset of internal tandem duplications (ITDs) in the native sequence of the protein. The ITDs occur mainly in the juxtamembrane domain of the protein and alter the normal activity of the enzyme. In this work, we have studied the native form of FLT3 and six mutants by molecular dynamics simulations. The catalytic activity of FLT3 is exerted by the tyrosine kinase domain (KD) and regulated by the juxtamembrane (JM) domain. Analysis of the dynamics of these two domains have shown that the introduction of ITDs in the JM domain alters both structural and dynamic parameters. The presence of ITDs allowed the protein to span a larger portion of the conformational space, particularly in the JM domain and the activation loop. The FLT3 mutants were found to adopt more stable configurations than the native enzyme. This was due to the different arrangements assumed by the JM domain. Larger fluctuations of the activation loop were found in four of the six mutants. In the native FLT3, the key residue Tyr572 is involved in a strong and stable interaction with an ion pair. This interaction, which is thought to keep the JM in place hence regulating the activity of the enzyme, was found to break in all FLT3 mutants.

The aberrant expression of kinases is often associated with pathologies such as cancer and autoimmune diseases. Like other types of enzymes, kinases can adopt active and inactive states, where a shift toward more stable active state often leads to disease. Dozens of kinase inhibitors are, therefore, used as drugs. Most of these bind to either the inactive or active state. In this work, we study the transitions between these two states in FLT3, an important drug target in leukemias. Kinases are composed of two lobes (N- and C-terminal lobes) with the catalytic site in-between. Through projection of the largest motions obtained through molecular dynamics (MD) simulations, we show that each of the end-states (active or inactive) already possess the ability for transition as the two lobes rotate which initiates the transition. A targeted simulation approach known as essential dynamics sampling (EDS) was used to speed up the transition between the two protein states. Coupling the EDS to implicit-solvent MD was performed to estimate the free energy barriers of the transitions. The activation energies were found in good agreement with previous estimates obtained for other kinases. Finally, we identified FLT3 intermediates that assumed configurations that resemble that of the c-Src nonreceptor tyrosine kinase. The intermediates show better binding to the drug ponatinib than c-Src and the inactive state of FLT3. This suggests that targeting intermediate states can be used to explain the drug-binding patterns of kinases and for rational drug design.

Background: Abl1 is a protein tyrosine kinase whose aberrant activation due to mutations is the culprit of several cancers, most notably chronic myeloid leukaemia. Several Abl1 inhibitors are used as anti-cancer drugs. Unfortunately, drug resistance limits their effectiveness. The main cause for drug resistance is mutations in the kinase domain (KD) of Abl1 that evolve in patients. The T315I mutation confers resistance against all clinically-available inhibitors except ponatinib. Resistance to ponatinib can develop by compound (double) mutations., Methods: Kinetic measurements of the KD of Abl1 and its mutants were carried out to examine their catalytic activity. Specifically, mutants that lead to drug resistance against ponatinib were considered. Molecular dynamics simulations and multiple sequence analysis were used for explanation of the experimental findings., Results: The catalytic efficiency of the T315I pan-resistance mutant is more than two times lower than that of the native KD. All ponatinib resistant mutations restore the catalytic efficiency of the enzyme. Two of them (G250E/T315I and Y253H/E255V) have a catalytic efficiency that is more than five times that of the native KD., Conclusions: The measurements and analysis suggest that resistance is at least partially due to the development of a highly efficient kinase through subsequent mutations. The simulations highlight modifications in two structurally important regions of Abl1, the activation and phosphate binding loops, upon mutations., General Significance: Experimental and computational methods were used together to explain how mutations in the kinase domain of Abl1 lead to resistance against the most advanced drug currently in use to treat chronic myeloid leukaemia., (Copyright © 2019 Elsevier B.V. All rights reserved.)

Over the last decades, traditional olive production has been converted to intensive and super-intensive cultivation systems, characterized by high plant density and irrigation. Although this conversion improves product quality and quantity, it requires a larger amount of energy input. The new contributions in this paper are, first, an analysis of the energy and environmental performance of two commercial-scale high peak-power hybrid photovoltaic irrigation systems (HPVIS) installed at intensive and super-intensive Mediterranean olive orchards; second, an analysis of PV hybrid solutions, comparing PV hybridization with the electric power grid and with diesel generators; and finally, a comparison of the environmental benefits of HPVIS with conventional power sources. Energy and environmental performances were assessed through energy and carbon payback times (EPBT and CPBT). The results show EPBT of 1.98 and 4.58 years and CPBT of 1.86 and 9.16 years for HPVIS in Morocco and Portugal, respectively. Moreover, the HPVIS were able to achieve low emission rates, corresponding to 48 and 103 g CO 2 e per kWh generated. The EPBT and CPBT obtained in this study were directly linked with the irrigation schedules of the olive orchards; therefore, weather conditions and irrigation management may modify the energy and environmental performances of HPVIS. The consumption of grid electricity and diesel fuel, before and after the implementation of HPVIS, was also analyzed. The results obtained show fossil energy savings of 67% for the Moroccan farm and 41% for the Portuguese installation. These savings suggest that the energy produced by HPVIS in olive orchards will avoid the emissions of a large amount of greenhouse gas and the exploitation of natural resources associated with fossil fuel production., (Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.)

The setting up of innovative irrigation water management might contribute to the mitigation of negative issues related to climate change. Our hypothesis was that globe artichoke irrigated with a traditionally drip system could be converted to an innovative water management system based on precision irrigation techniques and on evaporative cooling application in order to improve crop physiological status with positive impacts on earliness, total heads yield and water saving. Over two experiments carried out at plot- and field-scale, two irrigation management systems, differing in type and application time, were compared: (i) conventional, and (ii) canopy-cooling. Plant physiological status at a weekly sampling interval and the head atrophy incidence (as the ratio of the total primary heads collected) were monitored. We also recorded and determined heads production, and yield components. In both experiments, throughout the application period of evaporative cooling (three months), canopy-cooling showed the lowest value of leaf temperature and the highest photosynthesis values compared with the conventional one (+3 °C and -30%, respectively). The physiological advantage gained by the crop with evaporative cooling has led to a higher production both in terms of total yield (+30%), and in terms of harvested first order heads that from an economic viewpoint are the most profitable for farmers. At farm-scale, the canopy-cooling treatment resulted in a higher earliness (35 days) and water productivity (+36%) compared with conventional one. Our findings show that by combining evaporative cooling practice with precision irrigation technique the heads yield can be optimized also leading to a relevant water saving (-34%). Moreover, the study proved that canopy-cooling set up might be a winning strategy in order to mitigate climatic changes and heat stress conditions., (Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.)

We investigate computationally the role of Stone-Wales (SW) defects on the interfacial interactions among graphene, carbon nanotubes (CNTs), and Nylon 6 using density functional theory (DFT) and the empirical force-field. Our first-principles DFT calculations were performed using the Quantum ESPRESSO electronic structure code with the highly accurate van der Waals functional (vdW-DF2). Both pristine and SW-defected carbon nanomaterials were investigated. The computed results show that the presence of SW defects on CNTs weakens the CNT-graphene interactions. Our result that CNT-graphene interaction is much stronger than CNT-CNT interaction indicates that graphene would be able to promote the dispersion of CNTs in the polymer matrix. Our results demonstrate that carbon nanomaterials form stable complexes with Nylon 6 and that the van der Waals interactions, as revealed by the electronic charge density difference maps, play a key stabilizing role on the interfacial interactions among graphene, CNTs, and Nylon 6. Using the density of states calculations, we observed that the bandgaps of graphene and CNTs were not significantly modified due to their interactions with Nylon 6. The Young's moduli of complexes were found to be the averages of the moduli of their individual constituents.

We examine the effects of compressive external forces on the mechanisms of the parent Diels-Alder (DA) reaction between butadiene and ethylene. Reaction pathways and transition states were calculated using the nudged elastic band method within a mechanochemical framework at the CASSCF(6,6)/6-31G**, as well as the B3LYP/6-311++G** levels of theory. Our results suggest that compressive hydrostatic pressure lowers the energy barrier for the parent DA reaction while suppressing the undesirable side reaction, thereby leading to a direct increase in the yield of cyclohexene. Compressive pressure also increases the exothermicity of the parent DA reaction, which would lead to increased temperatures in a reaction vessel and thereby indirectly increase the yield of cyclohexene. Our estimates indicate that the compression used in our study corresponds to a range of 68 MPa-1410 MPa.

Four mutated hemoglobin (Hb) variants and wild type hemoglobin as a reference have been investigated using density functional theory methods focusing on oxygen binding. Dispersion-corrected B3LYP functional is used and found to provide reliable oxygen binding energies. It also correctly reproduces the spin distribution of both bound and free heme groups as well as provides correct geometries at their close vicinity. Mutations in hemoglobin are not only an intrigued biological problem and it is also highly important to understand their effects from a clinical point of view. This study clearly shows how even small structural differences close to the heme group can have a significant effect in reducing the oxygen binding of mutated hemoglobins and consequently affecting the health condition of the patient suffering from the mutations. All of the studied mutated Hb variants did exhibit much weaker binding of molecular oxygen compared to the wild type of hemoglobin.

Antifreeze proteins (AFP) are responsible for the survival of several species, ranging from bacteria to fish, that encounter subzero temperatures in their living environment. AFPs have been divided into two main families, moderately and hyperactive, depending on their thermal hysteresis activity. We have studied one protein from both families, the AFP from the snow flea (sfAFP) and from the winter flounder (wfAFP), which belong to the hyperactive and moderately active family, respectively. On the basis of molecular dynamics simulations, we have estimated the thickness of the water/ice interface for systems both with and without the AFPs attached onto the ice surface. The calculation of the diffusion profiles along the simulation box allowed us to measure the interface width for different ice planes. The obtained widths clearly show a different influence of the two AFPs on the ice/water interface. The different impact of the AFPs here studied on the interface thickness can be related to two AFPs properties: the protein hydrophobic surface and the number of hydrogen bonds that the two AFPs faces form with water molecules.

Antifreeze proteins (AFP) allow different life forms, insects as well as fish and plants, to survive in subzero environments. AFPs prevent freezing of the physiological fluids. We have studied, through molecular dynamics simulations, the behavior of the small isoform of the AFP found in the snow flea (sfAFP), both in water and at the ice/water interface, of four different ice planes. In water at room temperature, the structure of the sfAFP is found to be slightly unstable. The loop between two polyproline II helices has large fluctuations as well as the C-terminus. Torsional angle analyses show a decrease of the polyproline II helix area in the Ramachandran plots. The protein structure instability, in any case, should not affect its antifreeze activity. At the ice/water interface the sfAFP triggers local melting of the ice surface. Bipyramidal, secondary prism, and prism ice planes melt in the presence of AFP at temperatures below the melting point of ice. Only the basal plane is found to be stable at the same temperatures, indicating an adsorption of the sfAFP on this ice plane as confirmed by experimental evidence.

Glucose oxidase (GOx) is a flavoenzyme having applications in food and medical industries. However, GOx, as many other enzymes when extracted from the cells, has relatively short operational lifetimes. Several recent studies (both experimental and theoretical), carried out on small proteins (or small fractions of large proteins), show that a detailed knowledge of how the breakdown process starts and proceeds on molecular level could be of significant help to artificially improve the stability of fragile proteins. We have performed extended molecular dynamics (MD) simulations to study the denaturation of GOx (a protein dimer containing nearly 1200 amino acids) to identify weak points in its structure and in this way gather information to later make it more stable, for example, by mutations. A denaturation of a protein can be simulated by increasing the temperature far above physiological temperature. We have performed a series of MD simulations at different temperatures (300, 400, 500, and 600 K). The exit from the protein's native state has been successfully identified with the clustering method and supported by other methods used to analyze the simulation data. A common set of amino acids is regularly found to initiate the denaturation, suggesting a moiety where the enzyme could be strengthened by a suitable amino acid based modification., (© 2014 Wiley Periodicals, Inc.)

Cryptophane-D is composed of two nonequivalent cyclotribenzylene caps bound together by three OCH2CH2O bridges in a syn arrangement. Host-guest complexes with chloroform and dichloromethane were investigated in solution by NMR spectroscopy. Variable temperature NMR (1)H and (13)C spectra showed effects of chemical exchange between the free and bound guest and of conformational exchange for the host, strongly and specifically affected by guest binding. We found in particular that the carbon-13 chemical shifts for the linkers connecting the two cyclotribenzylene units are very informative. The NMR results were supported by DFT calculations. The guest exchange was also studied quantitatively, either by EXSY measurements (for chloroform as guest) or by line-shape analysis (for dichloromethane as guest). In the case of chloroform guest, we also investigated cross-relaxation between the guest and host protons, as well as carbon-13 longitudinal relaxation and heteronuclear NOE at three different fields. The results were interpreted in terms of orientation and dynamics of the guest inside the host cavity. Putting together various types of evidence resulted in remarkably detailed insight into the process of molecular recognition of the two guests by cryptophane-D host.

Non parasitic splenic cysts are an uncommon clinical and pathologic entities, out of these, epitelias splenic cysts (ESC) occurred in 10% of cases. Until recently the treatment of choice for the large ESC consisted of splenectomy. Splenic preservation, for avoiding risks of sepsis, is a modern concept uniformly accepted for treating childhood splenic injury and benign pathology. The Authors report a case of prenatal diagnosis of large left upper quadrant mass that was apparent at Ultrasonography (US) at 32th week of gestational age. Laparotomy at 3rd day of life: a large cyst splenic mass was found (7 x 7 cm), it was situated all in lower pole. Partial splenectomy was performed; cysts were not found in other organs. Histology of specimen: ESC. The postoperative course was uneventful. Postoperative (6 months) Scintigraphy demonstrated the good vascularization of the spleen.

The authors report 6 cases of colonic stenosis (three males and three females, range of age 9 days-4 months) observed from 1982 to 1985 in the Department of Pediatric Surgery in Bambino Gesù Hospital. Three out of six have been admitted with the diagnosis of necrotizing enterocolitis soon after birth. The authors have observed 2 cases of colonic stenosis in neonatal age, 1 case aged month, both suffering from Hirschsprung's disease. A file for the diagnosis has been performed for all patients. Stenosis have been observed in the descending colon, sigmoid colon, rectosigmoid tract, multiple stenosis were present in 2 patients. In 5 patients the surgical treatment has been the removal of stenotic tract. In three patients a colostomy on transverse colon has been performed followed by abdominal perineal intestinal lowering. The authors stress the importance of anorectal manometry among investigations usually performed to exclude Hirschsprung's disease.