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An accurate, global, full-dimensional potential energy surface (PES) of NaCl + NaCl has been constructed by the fundamental invariant-neural network (FI-NN) fitting based on roughly 13,000 ab initio energies at the level of CCSD(T)-F12a/aug-cc-pVTZ, with the small fitting error of 0.16 meV. Extensive quasiclassical trajectory (QCT) calculations were performed on this PES to investigate the energy transfer process of the NaCl + NaCl collision at four different collision energies. Various quantities were obtained, including the cross-sections, energy transfer probability, average energy transfer, and collision lifetime. The probabilities of energy transfer (P(ΔE)) for prompt trajectories, nonreactive trajectories, and reactive trajectories deviate from a simple exponential decay pattern. Instead, a noteworthy probability is observed in the high-energy transfer region, indicative of supercollisions. The formation of the (NaCl)2complex, coupled with a comparatively extended collision lifetime, promotes vibrational excitation in NaCl molecules. The reactive trajectories exhibit enhanced energy transfer, attributed to the longer lifetime of the NaCl dimer. This study not only provides an accurate and extensive understanding of the NaCl + NaCl collision dynamics but also reveals intriguing phenomena, such as supercollisions and enhanced energy transfer in reactive trajectories, shedding light on the complex intricacies of molecular interactions.

Previous experiments and theories have shown the existence of heavy–light–heavy (HLH) reactivity oscillation in the Cl + CH4reaction and anticipated that similar oscillations should exist in many HLH reactions involving polyatomic reagents. However, the total reaction probabilities for the Cl + CHD3→ HCl + CD3reaction exhibit only a step-like feature, and the total reaction probabilities for Cl + CHT3→ HCl + CT3do not show any structure at all. Here, we report seven-dimensional state-to-state quantum dynamics studies for this reaction on the FI-NN PES, and we demonstrate that HLH reactivity oscillations also exist in these two reactions, manifesting as peaks in the reaction probabilities for low product rotational states. These oscillations, however, are obscured in the total reaction probability because of the higher excitation of j≥ 2 product rotational states. Furthermore, the isotope replacement of nonreactive hydrogen with deuterium and tritium significantly enhances reactivity at collision energies above 0.112 eV, indicating an inverse secondary isotope effect on the probabilities, which is proved to be also caused by HLH mass combination. We also demonstrate that the highly rotational excitation of CHD3substantially enhances reactivity and the HLH oscillations, similar to HLH triatomic reactions. These observations are completely different from those in the H + CHD3reaction, which is also a late-barrier reaction. Therefore, the HLH mass combination is very important, which affects not only the reactivity oscillation but also the amplitude and product rotational state distribution and makes the initial rotation excitation play a pivotal role in the reaction.

Purpose: Primary aldosteronism (PA) diagnosis is affected by antihypertensive drugs that are commonly taken by patients with suspected PA. In this study, we developed and validated a diagnostic model for screening PA without drug washout. Methods: We retrospectively analyzed 1095 patients diagnosed with PA or essential hypertension. Patients were randomly grouped into training and validation sets at a 7:3 ratio. Baseline characteristics, plasma aldosterone concentration (PAC), and direct renin concentration (DRC) before and after drug washout were separately recorded, and the aldosterone-to-renin ratio (ARR) was calculated. Results: PAC and ARR were higher and direct renin concentration was lower in patients with PA than in patients with essential hypertension. Furthermore, the differences in blood potassium and sodium concentrations and hypertension grades between the two groups were significant. Using the abbreviations potassium (P), ARR (A), PAC (P), sodium (S), and hypertension grade 3 (3), the model was named PAPS3. The PAPS3model had a maximum score of 10, with the cutoff value assigned as 5.5; it showed high sensitivity and specificity for screening PA in patients who exhibit difficulty in tolerating drug washout. Conclusion: PA screening remains crucial, and standard guidelines should be followed for patients to tolerate washout. The PAPS3model offers an alternative to minimize risks and enhance diagnostic efficiency in PA for those facing washout challenges. Despite its high accuracy, further validation of this model is warranted through large-scale clinical studies.

• Si atoms diffuse into TiC x and promote the formation of the Ti-rich zone. • The low formation energy of C vacancies facilitates the rapid diffusion of Si. • The wide crystallization range of TiAl x Si y is the key to the TiC x decomposition. • Si remarkably increases the driving force of the decomposition reaction of TiC x. TiC x is an excellent composite strengthening particle and grain refiner for Al alloys. However, the stability of TiC x is poor when solute Si exists in Al alloy melts, which significantly depresses its strengthening and grain refining effects. In this work, the destabilization mechanisms of the TiC x particles in Al-Si alloy melt with a composition of Al-7Si-7.5TiC were explored via experiments, first-principles calculations and thermodynamic calculations. The experimental results show that Si atoms diffuse into TiC x and Ti atoms are released into the Al melt to form a Ti-rich transition zone during the insulation of TiC x in Al-Si melt, and the TiAl y Si z and Al 4 C 3 phases are solidified in the Ti-rich zone and at Ti-rich zone/TiC x interface, respectively. The first principles calculations show that the low formation energy of C vacancies facilitates the rapid diffusion of Si atoms in TiC x , while the doping of Si atoms reduces the energy barrier of diffusion of Ti atoms in TiC x and promotes the formation of Ti-rich zones. The thermodynamic calculations show that the wide crystallization temperature range of the destabilized product TiAl y Si z phase is the key to continuous decomposition of TiC x particles. In addition, the driving force of the main destabilization reaction of TiC x in the Al-Si alloys is about 44 times higher than that in the Al alloys without Si addition. This indicates that the presence of solute Si remarkably promotes the subsequent decomposition process of TiC x in the Al-Si alloy melts. [Display omitted] [ABSTRACT FROM AUTHOR]

The CH2OO + H2O reaction is an important atmospheric process that leads to the formation of formic acid (HCOOH) and water via the intermediate hydroxymethyl hydroperoxide (HOCH2OOH, HMHP). We investigated the intricacies of this process by employing quasiclassical trajectory calculations on an accurate, full-dimensional ab initio potential energy surface (PES). In addition to the direct mechanism via the transition state (TS), an interesting roaming mechanism was found to play the predominant role in producing H2O and HCOOH. This roaming pathway is featured as the near direct dissociation of HMHP into OH and hydroxymethoxy radical, followed by the retraction of OH and abstraction of the H atom, culminating in the formation of H2O. Due to the longer interaction time of the roaming mechanism, less product translational energy was released, but more internal energies of HCOOH were obtained, as compared with the direct TS mechanism. The enhanced yield of H2O and formic acid achieved through roaming dynamics underscores the significance of dynamics simulations based on an accurate full-dimensional PES. This work provides new insights into the dynamics of the CH2OO + H2O reaction and its implications for atmospheric chemistry.

Coconut free fatty acid (CFFA), a mixture of 8 fatty acids derived from coconut oil, is an effective repellent and deterrent against a broad array of hematophagous insects. In this study, we evaluated the oviposition deterrent activity of CFFA on spotted-wing drosophila (SWD; Drosophila suzukii), a destructive invasive pest of berries and cherries, and identified bioactive key-deterrent compounds. In laboratory 2-choice tests, CFFA deterred SWD oviposition in a dose-dependent manner with the greatest reduction (99%) observed at a 20-mg dose compared with solvent control. In a field test, raspberries treated with 20-mg CFFA received 64% fewer SWD eggs than raspberries treated with the solvent control. In subsequent laboratory bioassays, 2 of CFFA components, caprylic and capric acids, significantly reduced SWD oviposition by themselves, while 6 other components had no effect. In choice and no-choice assays, we found that a blend of caprylic acid and capric acid, at equivalent concentrations and ratio as in CFFA, was as effective as CFFA, while caprylic acid or capric acid individually were not as effective as the 2-component blend or CFFA at equivalent concentrations, indicating the 2 compounds as the key oviposition deterrent components for SWD. The blend was also as effective as CFFA for other nontarget drosophilid species in the field. Given that CFFA compounds are generally regarded as safe for humans, CFFA and its bioactive components have potential application in sustainably reducing SWD damage in commercial fruit operations, thereby reducing the sole reliance on insecticides.

The article examines the problem of false or misleading conclusions in science that stem from difficulties in reproducibility associated with porting more efficient scientific software in high performance computing (HPC). It discusses the concept of bisection, statistical combinations testing in the Community Earth System Model (CESM), and the FLiT workflow.

The dissociation of ammonia on an effective catalyst is of practical importance in producing clean hydrogen. In this work, an accurately fitted full-dimensional potential energy surface (PES) for the dissociative chemisorption of NH3on rigid Ni(111) was developed based on the fundamental invariant-neural network method. With the aid of this PES in full 12 dimensions, extensive quasi-classical trajectory calculations were carried out to investigate the dissociative chemisorption dynamics. The dissociation for NH3in the ground vibrational state was most favored at normal incidence and increases steadily as the collision energy increases. The reactivity was substantially enhanced by vibrational excitation of specific modes, in particular for the asymmetric stretch and symmetric stretch modes. Because of the typical late-barrier polyatomic surface reaction, the vibrational excitation is found to be more efficient than increasing the same amount of translational energy. Our study provides valuable insights into the mode-specific dissociative chemisorption dynamics of polyatomic molecules on the surface.

OBJECTIVE--Excessive endogenous glucose production contributes to fasting hyperglycemia in diabetes. This effect stems from inept insulin suppression of hepatic gluconeogenesis. To understand the underlying mechanisms, we studied the ability of forkhead box 06 (FoxO6) to mediate insulin action on hepatic gluconeogenesis and its contribution to glucose metabolism. RESEARCH DESIGN AND METHODS--We characterized FoxO6 in glucose metabolism in cultured hepatocytes and in rodent models of dietary obesity, insulin resistance, or insulin-deficient diabetes. We determined the effect of FoxO6 on hepatic gluconeogenesis in genetically modified mice with FoxO6 gain-versus loss-of-function and in diabetic db/db mice with selective FoxO6 ablation in the liver. RESULTS--FoxO6 integrates insulin signaling to hepatic gluconeogenesis. In mice, elevated FoxO6 activity in the liver augments gluconeogenesis, raising fasting blood glucose levels, and hepatic FoxO6 depletion suppresses gluconeogenesis, resulting in fasting hypoglycemia. FoxO6 stimulates gluconeogenesis, which is counteracted by insulin. Insulin inhibits FoxO6 activity via a distinct mechanism by inducing its phosphorylation and disabling its transcriptional activity, without altering its subcellular distribution in hepatocytes. FoxO6 becomes deregulated in the insulin-resistant liver, accounting for its unbridled activity in promoting gluconeogenesis and correlating with the pathogenesis of fasting hyperglycemia in diabetes. These metabolic abnormalities, along with fasting hyperglycemia, are reversible by selective inhibition of hepatic FoxO6 activity in diabetic mice. CONCLUSIONS--Our data uncover a FoxO6-dependent pathway by which the liver orchestrates insulin regulation of gluconeogenesis, providing the proof-of-concept that selective FoxO6 inhibition is beneficial for curbing excessive hepatic glucose production and improving glycemic control in diabetes. Diabetes 60:2763-2774, 2011, Gluconeogenesis is a life-sustaining process for maintaining blood glucose levels within the physiologic range and providing the sole fuel source for the brain, testes, and erythrocytes during starvation. Gluconeogenesis takes [...]

OBJECTIVE--Cholecystokinin (CCK) is released in response to lipid intake and stimulates insulin secretion. We hypothesized that CCK deficiency would alter the regulation of insulin secretion and glucose homeostasis. RESEARCH DESIGN AND METHODS--We used quantitative magnetic resonance imaging to determine body composition and studied plasma glucose and insulin secretion of CCK gene knockout (CCK-KO) mice and their wild-type controls using intraperitoneal glucose and arginine infusions. The area of anti-insulin staining in pancreatic islets was measured by inununohistochemistry. Insulin sensitivity was assessed with euglycemic-hyperinsulemic clamps. RESULTS--CCK-KO mice fed a low-fat diet had a reduced acute insulin response to glucose but a normal response to arginine and normal glucose tolerance, associated with a trend toward greater insulin sensitivity. However, when fed a high-fat diet (HFD) for 10 weeks, CCK-KO mice developed glucose intolerance despite increased insulin sensitivity that was associated with low insulin secretion in response to both glucose and arginine. The deficiency of insulin secretion in CCK-KO mice was not associated with changes in β-cell or islet size. CONCLUSIONS--CCK is involved in regulating insulin secretion and glucose tolerance in mice eating an HFD. The impaired insulin response to intraperitoneal stimuli that do not typically elicit CCK release suggests that this hormone has chronic effects on β-cell adaptation to diet in addition to acute incretin actions. Diabetes 60:2000-2007, 2011, Obesity and type 2 diabetes are epidemic in both developing and developed countries, and consumption of high-fat diets (HFDs) is thought to be a contributing factor. In particular, consumption of [...]

OBJECTIVE--Macrophages play an important role in the pathogenesis of insulin resistance via the production of proinflammatory cytokines. Our goal is to decipher the molecular linkage between proinflammatory cytokine production and insulin resistance in macrophages. RESEARCH DESIGN AND METHODS--We determined cytokine profiles in cultured macrophages and identified interleukin (IL)-1β gene as a potential target of FoxO1, a key transcription factor that mediates insulin action on gene expression. We studied the mechanism by which FoxO1 mediates insulin-dependent regulation of IL-1β expression in cultured macrophages and correlated FoxO1 activity in peritoneal macrophages with IL-1β production profiles in mice with low-grade inflammation or insulin resistance. RESULTS--FoxO1 selectively promoted IL-1β production in cultured macrophages. This effect correlated with the ability of FoxO1 to bind and enhance IL-1β promoter activity. Mutations of the FoxO1 binding site within the IL-1β promoter abolished FoxO1 induction of IL-1β expression. Macrophages from insulin-resistant obese db/db mice or lipopolysaccharide-inflicted mice were associated with increased FoxO1 production, correlating with elevated levels of IL-1β mRNA in macrophages and IL-1β protein in plasma. In nonstimulated macrophages, FoxO1 remained inert with benign effects on IL-1β expression. In response to inflammatory stimuli, FoxO1 activity was augmented because of an impaired ability of insulin to phosphorylate FoxO1 and promote its nuclear exclusion. This effect along with nuclear factor-κB acted to stimulate IL-1β production in activated macrophages. CONCLUSIONS--FoxO1 signaling through nuclear factor-κB plays an important role in coupling proinflammatory cytokine production to insulin resistance in obesity and diabetes., Low-grade inflammation and insulin resistance are two key components that are interwoven in control subjects with obesity and type 2 diabetes. The former is accompanied by markedly elevated production of [...]

Insect responses to chemical attractants are often measured using olfactory bioassays prior to testing in field experiments. The attraction of sexually mature male Bactrocera dorsalisto methyl eugenol (ME) and the loss of attraction by ME pre-fed males have been demonstrated in laboratory bioassays and field trapping studies. It has been suggested that ME nonresponsiveness can be exploited to improve the effectiveness of B. dorsalismanagement programs by protecting sterile males from ME-based control measures. Currently, work is underway to identify alternatives that reduce or eliminate ME response. To support the development of compounds and evaluation of their effect on B. dorsalisattraction to ME, we compared the effectiveness of three common bioassay methods that have been used to measure lure response in Bactroceraflies under controlled conditions (choice assays using Y-tube [Y], small-cage arena [SC], and rotating carousel field-cage [RC]) to determine which bioassay method is efficient and reliable. A series of bioassays comparing ME-exposed and ME-naïve wild-type and genetic sexing strain males showed that the RC and SC were effective at both observing attraction to ME and detecting a significant reduction in ME response from ME-exposed males. However, the male attraction to ME and a significant decrease in response to ME after ME feeding was not observed in our Y-tube assays. These suggest that RC and SC are preferable options to evaluate ME non-responsiveness in B. dorsalis, and that Y-tube tests are difficult to administer correctly.

Successful islet transplantation depends on the infusion of sufficiently large quantities of islets, but only a small fraction of implanted islets become engrafted. The underlying mechanisms remain elusive. To probe [...]

Abstract Fire hazard of the new architectural feature--double-skinned facade was examined experimentally. Full-scale burning tests on part of the design feature were carried out in a facility developed in a [...]

Successful islet transplantation depends on the infusion of sufficiently large quantities of islets, but only a fraction of transplanted islets can survive and become engrafted, and yet the underlying mechanism remains unclear. In this study, we examined the effect of sirolimus, a key component of the immunosuppressive regimen in clinical islet transplantation, on islet engraftment and function. To distinguish the effect of sirolimus on immune rejection from its effect on islet engraftment, we used a syngeneic model. Diabetic mice were transplanted with 250 islets under the renal capsule, followed by treatment with sirolimus or vehicle for 14 days. Thirty days post-transplantation, islet grafts were retrieved for the determination of insulin content and vascular density. Compared with mock-treated controls, diabetic recipient mice receiving sirolimus exhibited impaired blood glucose profiles and reduced glucose-stimulated insulin secretion, correlating with reduced intragraft insulin content and decreased vascular density. Islets exposed to sirolimus for 24 h in culture displayed significantly diminished glucose-stimulated insulin release, coinciding with decreased pancreas duodenum homeobox-1 and GLUT2 expression in cultured islets. Furthermore, sirolimus-treated diabetic recipient mice, as opposed to mock-treated controls, were associated with dyslipidemia. These data suggest that sirolimus, administered in the early posttransplantation phase, is a confounding factor for reduced islet engraftment and impaired β-cell function in transplants., The Edmonton protocol for islet transplantation depends on the infusion of ~10,000 IE (islet equivalents)/kg body wt, requiring multiple cadaver pancreata per diabetic recipient (1-4). Despite the implantation of such [...]

Background: A common single-nucleotide polymorphism (SNP) in the promoter region of the MDM2 gene, known as T-309G and referred to as SNP309 for this study, leads to increased expression of Mdm2 protein and attenuated function of the p53 tumor suppressor protein. We investigated whether genetic variants in MDM2 were associated with breast cancer incidence and survival and whether the variant status could interact with the tumor p53 status to modify breast cancer survival. Methods: We used multivariable logistic and Cox regression analyses to study the relationship of SNP309 status and the status of a second MDM2 SNP in exon 12 at codon 354 (SNP354) with breast cancer incidence and with disease-specific survival among 293 case patients and 317 cancer-free control subjects. Survival analysis included 248 of the 293 case patients who had known tumor p53 status. All statistical tests were two-sided. Results: We did not observe an association between SNP309 status and breast cancer incidence in the unstratified analysis, but we did find a statistically significant association between SNP354 status and breast cancer incidence (odds ratio = 3.34, 95% confidence interval [CI] = 1.88 to 5.93). We also discovered a statistically significant interaction between SNP309 status and tumor p53 expression for breast cancer survival ([P.sub.interaction] =.002). Among homozygous carriers of the common MDM2 SNP309 allele (T/T), a mutant p53 status (risk ratio [RR] of death = 2.33, 95% CI = 1.08 to 5.03) and aberrant p53 protein expression (RR = 2.61, 95% CI = 1.22 to 5.57) in breast tumors were associated with poor survival. Tumor p53 status was not associated with breast cancer survival among carriers of the variant MDM2 SNP309 allele (G/T or G/G), which is consistent with a dominant effect of the variant allele. Conclusion: A strong interaction between SNP309 status and tumor p53 status appears to modify the association between p53 status and breast cancer survival.

Ethyl formate (EF) was evaluated as a potential alternative to methyl bromide (MB) for phytosanitary treatment of imported citrus fruit in the Republic of Korea. Planococcus citri(Risso) (Hemiptera: Pseudococcidae), a mealybug with known tolerance against EF and MB, was used as a representative pest to test efficacy of the two fumigants against eggs. In nine commercial-scale refrigerated container (67.5 m3) trials using imported orange, lemon and grapefruit, EF applied at the currently approved dose for citrus (70 g·m-3at 5°C for 4 h, developed for Aspidiotus excisusGreen (Hemiptera: Diaspididae), a species less EF tolerant than P. citri) resulted in 76.9–98.3% mortality of P. citrieggs. The EF treatment did not affect the sugar content or the color of peel and pulp of the treated fruit. When oranges were treated according to the current MB (64 g·m-3at >5°C for 2 h) or EF treatment guidelines, the concentration of fumigant around the fruit fluctuated between 9.4 and 185.1 ppm for EF and 9.5–203.0 ppm for MB during the 72-h post-fumigation processes (venting [0–2 h], transportation to storage [2–24 h], and storage periods [24–72 h]) with both EF and MB maintained between 10 and 100 ppm during the storage period. Considering the efficacy of EF, its apparent lack of phytotoxicity, and its more manageable threshold limit value for humans (100 ppm EF compared to 1 ppm MB for an 8-h time weighted average exposure), our results suggest that EF may be a promising alternative to MB for the phytosanitary treatment of imported citrus in Korea.

The dissociative chemisorption of the N2molecule is the rate-limiting step in the ammonia synthesis process. Here, we carried out the full-dimensional quantum dynamics study for the dissociative chemisorption of N2on rigid Fe(111) based on a new, accurately fitted potential energy surface (PES). The computed dissociation probabilities reveal significant quantum effects for this heavy-diatomic reaction, as compared with the quasi-classical trajectory (QCT) results. This is due to the deep pretransition state adsorption well for this reaction, which also leads to the strong dynamical steering effects, as confirmed in the QCT calculations. The current magnitude of quantum and quasi-classical dissociation probabilities on a rigid surface agrees much better with the experimental data than the previous theoretical results with approximate surface atom motion treatment at incident energies lower than 4.0 eV. This is also the first time the full-dimensional quantum dynamics study is accomplished for the dissociative chemisorption of a heavy-diatomic molecule.

The improvement of lightweight and safety is the development requirement of automobile parts. Therefore, the demand of thin-walled parts with ultra-high strength is more urgent. However, with the increase of strength, the springback phenomenon of parts is particularly serious, which greatly affects the forming quality of parts. Generally, the springback of automobile parts should be controlled within 5%. Thus, the accurate simulation and prediction of springback can provide important support for the manufacture of ultra-high strength automobile thin-walled parts. In this paper, the bending springback of the medium-Mn steel, as one of the third-generation automobile steels, was studied based on experiment and simulation under different conditions. Tensile tests were carried out to evaluate comprehensive mechanical properties with high strength and high plasticity. Cyclic loading-unloading tests were conducted to analyze the changing rules of unloading elastic modulus and inelastic recovery with strain. The correlation model between unloading elastic modulus and true plastic strain was further established and the model parameters were obtained. Furthermore, V-shaped bending tests were carried out under different conditions to analyze the effects of rolling direction, bending angle, and punch fillet radius on springback. The effect of rolling direction on springback angle is negligible. The bending angle has a positive effect on springback angle, while the punch fillet radius has a negative effect. Finally, the material model with constant and variable elastic moduli were developed by using user-defined material subroutines for the medium-Mn steel. V-shaped bending tests under constant and variable elastic moduli were simulated and compared with the experimental result. The simulated result with variable elastic modulus was closer to the experimental one, which proves the importance of considering the change of unloading elastic modulus in the numerical simulation of medium-Mn steel. The research result of this paper is helpful to enhance the simulation accuracy of springback of medium-Mn steel part and promote its industrial application.

This paper describes three interface systems used to record and play back the compressed digital data from the DSC-HDTV system. The first interface is for recording the compressed data from the DSC-HDTV to the HD-VCR system, the second is for the DSC-HDTV to the D3 digital VTR and the third is for the HD-VCR to D3 VTR. The interface hardware was fully developed and demonstrated the feasibility of recording and playing back the digital data from the DSC-HDTV to both the HD-VCR and the D3 machine.

The article focuses on debugging high-performance computing (HPC) applications. It is noted that these applications can run long numerical simulations which model the real world. The numerical correctness and software reliability of these applications is very important for scientists. Debugging parallel programs is much more difficult compared to debugging serial programs. According to the authors, dynamic analysis tools and algorithms which match an application's input and number of compute nodes allow programmers identify the root cause of bugs. INSET: Real-World Debugging Case.

Glaucoma is an abnormal condition of elevated pressure within the eye. Glaucoma results in gradual loss of peripheral vision, followed later by loss of central vision and blindness due to atrophy of the optic nerve. One of the most frequently seen early signs of glaucoma is the development of paracentral scotomas, which are areas of decreased vision involving the central point of fixation of vision. Defects in the field of vision due to glaucoma are most often found in the superior rather than inferior half of the visual field. However, the inferior rather than the superior field of vision may be more affected in some patients who have both glaucoma and diabetes. A study was undertaken to determine the qualitative differences in visual field defects between 87 diabetic and 110 non-diabetic patients with glaucoma. Patients with retinal abnormalities were excluded from the study. Forty of the non-diabetic patients (36.4 percent) had vision defects mainly in the inferior field of vision, whereas 56 (64.4 percent) of the diabetic patients showed this pattern; the difference between groups was significant. It is suggested that a vascular (blood vessel-related) element, as may occur in diabetic patients, may influence the damage to the optic nerve from glaucoma. This could cause the different pattern of loss of visual field in diabetic patients. (Consumer Summary produced by Reliance Medical Information, Inc.)

A neural network (NN) approach was recently developed to construct accurate quasidiabatic Hamiltonians for two-state systems with conical intersections. Here, we derive the transformation properties of elements of 3 × 3 quasidiabatic Hamiltonians based on a valence bond (VB) model and extend the NN-based method to accurately diabatize the three lowest electronic singlet states of H3+, which exhibit the avoided crossing between the ground and first excited states and the conical intersection between the first and second excited states for equilateral triangle configurations (D3h). The current NN framework uses fundamental invariants (FIs) as the input vector and appropriate symmetry-adapted functions called covariant basis to account for the special symmetry of complete nuclear permutational inversion (CNPI). The resulting diabatic potential energy matrix (DPEM) can reproduce the ab initioadiabatic energies, energy gradients, and derivative couplings between adjacent states as well as the particular symmetry. The accuracy of DPEM is further validated by full-dimensional quantum dynamics calculations. The flexibility of the FI-NN approach based on the VB model shows great potential to resolve diabatization problems for many extended and multistate systems.

Supplemental Digital Content is available in the text.

MazF is an Escherichia coli-derived endoribonuclease that selectively cleaves ACA sequences of mRNA prevalent in HIV. We administered a single infusion of autologous CD4 T lymphocytes modified to express a Tat-dependent MazF transgene to 10 HIV-infected individuals (six remaining on antiretroviral therapy [ART]; four undergoing treatment interruption post-infusion) in order to provide a population of HIV-resistant immune cells. In participants who remained on ART, increases in CD4 and CD8 T cell counts of ~200 cells/mm3each occurred within 2 weeks of infusion and persisted for at least 6 months. Modified cells were detectable for several months in the blood and trafficked to gastrointestinal lymph tissue. HIV-1 Tat introduced ex vivoto the modified CD4+T cells induced MazFexpression in both pre- and post-infusion samples, and MazF expression was detected in vivopost-viral-rebound during ATI. One participant experienced mild cytokine release syndrome. In sum, this study of a single infusion of MazF-modified CD4 T lymphocytes demonstrated safety of these cells, distribution to lymph tissue and maintenance of Tat-inducible MazF endoribonuclease activity, as well as sustained elevation of blood CD4 and CD8 T cell counts. Future studies to assess effects on viremia and latent proviral reservoir are warranted.

Introduction: Susceptibility-Eeighted Imaging (SWI) enables visualization of thrombotic material in acute ischemic stroke. We analyzed the association between thrombus length on SWI and the success rate of recanalization in stent-retriever mechanical thrombectomy. Methods: A retrospective study was performed on 128 patients with Middle Cerebral Artery (MCA) thrombus on pretreatment SWI. The patients were divided into 2 groups, the successful recanalization and the failed recanalization group. Thrombus visibility and location on SWI were compared to those on Maximum Intensity Projection (MIP) in Computed Tomography (CT) angiography. A comparative analysis was performed in terms of clinical and radiologic outcomes as well as complications with respect to multiple categories. Results: No significant differences were noted in terms of baseline characteristics and clinical outcomes between the 2 groups. However, compared with the successful recanalization group, the failed recanalization group had a larger number of stent-retriever passages and a longer thrombus length (p = 0.027 and 0.014, respectively). Multivariate analyses revealed that a larger mean number of stent-retriever passages was a predictive factor for failure of recanalization (odds ratio [OR] 1.60; 95% confidence Interval [CI] 1.12-2.08; p = 0.04). Thrombus length (OR 9.91; 95% CI 3.89-13.87; p < 0.001) and atrial fibrillation (OR 5.38; 95% CI 1.51-9.58; p = 0.008) were separately associated with more than 3 stent-retriever passages. Conclusion: Thrombus length has been identified as a predictor of recanalization failure in mechanical thrombectomy. A significant decline in the success rate of recanalization was associated with longer thrombus length.

Objective: Our study investigated the association between the level of HbA1c (glycated hemoglobin) at admission and the prognosis of aneurysmal subarachnoid hemorrhage (SAH). Methods: A total of 510 patients treated with neuro-intervention for aneurysmal SAH and with data for admission HbA1c (glycated hemoglobin) were included. Favorable clinical outcome was defined as modified Rankin Scale (mRS) score of 0-2 at 3 months. Receiver operating characteristic (ROC) curve analysis was used to identify the optimal cutoff value of HbA1C for unfavorable clinical outcomes. Logistic regression was used to evaluate the association between HbA1C level and outcomes. Results: The optimal cutoff value of HbA1C was identified as 6.0% (P < 0.001), and patients with a high HbA1C (≥ 6.0%) had a lower prevalence of favorable clinical outcomes than patients with low HbA1C (< 6.0%) (P < 0.001). High HbA1C (≥ 6.0%) was independently associated with unfavorable clinical outcome (OR 2.84; 95% CI: 1.52-5.44; P = 0.004). The risk of unfavorable clinical outcome was significantly increased in patients with HbA1C (≥ 7.0%, < 8%) and HbA1C (≥ 8.0%) compared with lower baseline HbA1C (≥ 6.0%, < 7%) values (OR 2.17; 95% CI: 1.87-5.13; P = 0.011 and OR 4.25; 95% CI: 3.17-8.41; P = 0.005). Conclusion: Our study showed that HbA1C could be an independent predictor of worse outcomes following neuro-intervention for aneurysmal SAH. High HbA1C (≥ 6.0%) was associated with unfavorable clinical outcomes, and gradual elevation of HbA1C contributed to an increase in the risk of worse clinical outcomes after SAH.

The eutectic Ag-Cu alloys exhibiting fine Ag-Cu lamellar eutectic structure formed upon rapid solidification have great potentials being used in various engineering fields. However, the desired fine primary lamellar eutectic structure (PLES) is usually replaced by a coarse anomalous eutectic structure (AES) when the undercooling prior to solidification exceeds a certain value. The forming mechanism of AES in the undercooled eutectic Ag-Cu alloy has been a controversial issue. In this work, the undercooled Ag-39.9 at.% Cu eutectic alloy is solidified under different cooling conditions by using techniques of melt fluxing and copper mold casting. The results show that the coupled eutectic growth of this alloy undergoes a transition from a slow eutectic-cellular growth (ECG) to a rapid eutectic-dendritic growth (EDG) above a undercooling of 72 K, accompanying with an abrupt change of the distribution and amount of AES in as-solidified microstructures. Two kinds of primary lamellar eutectic structures are formed by ECG and EDG during recalescence, respectively. The destabilization of PLES that causes the formation of AES is ascribed to two different mechanisms based on the microstructural examination and theoretical calculations. Below 72 K, the destabilization of PLES formed by slow ECG is caused by the mechanism of "termination migration" driven by interfacial energy. While above 72 K, the destabilization of PLES formed by rapid EDG is attributed to the unstable perturbation of interface driven by interfacial energy and solute supersaturation. [ABSTRACT FROM AUTHOR]

This paper elucidates the effects of micro-alloying (Cr, Mo, rare earth and Ag) on the microstructure, element distribution and mechanical properties including Brinell hardness and tensile strength in cast gray irons. Experimental results show that the morphology of main graphite transforms from type C to type A and is refined obviously in the modified gray iron after micro-alloying. The pearlite content is also reduced, and the pearlite interlamellar spacing is smaller in the modified gray iron. The distribution and segregation of micro-alloying elements have determined the change of microstructure. More Cr and Mo atoms are tended to dissolve in pearlite and are likely to replace Fe atoms to form M3P in final solidified phosphorus eutectic regions. Meanwhile, segregation of rare earth metals toward boundaries should be considered into roles in refining graphite and pearlite interlamellar spacing. No obvious enrichment of Ag is found in matrix or at grain boundaries from experimental EPMA results. Multiple micro-alloying in gray irons improves the hardness and tensile strength at room temperature and at 700 °C by modifying the microstructure as well. Finer graphite and smaller pearlite interlamellar spacing results in better hardness, tensile strength and elongation in modified gray irons.

The extent to which donor multidrug‐resistant organisms (MDROs) affect organ utilization remains unclear. We performed a retrospective cohort study at 4 transplant centers between 2015 and 2016 to evaluate this question. All deceased donors who donated at least one organ were included. Exposed donors had at least one MDRO on culture. Unexposed donors had no MDRO‐positive cultures. Only cultures obtained during the donor's terminal hospitalization were evaluated. Multivariable regression was used to determine the association between donor MDRO and (1) number of organs transplanted per donor and (2) the match run at which each organ was accepted. Subsequently, we restricted the analysis to donors with MDR‐Gram‐negative (GN) organisms. Of 440 total donors, 29 (7%) donors grew MDROs and 7 (2%) grew MDR‐GNs. There was no significant association between donor MDRO and either measure of organ utilization. However, donor MDR‐GNs were associated with a significant reduction in the number of organs transplanted per donor (incidence rate ratio 0.43, 95% confidence interval [CI] 0.39‐0.48, P< .01), and organs were accepted significantly further down the match list (relative count 5.08, 95% CI 1.64‐15.68, P= .01). Though donor MDR‐GNs were infrequent in our study, their growing prevalence could meaningfully reduce the donor pool over time. This multicenter retrospective cohort study reports that multidrug‐resistant Gram‐negative organisms specifically were associated with significantly reduced deceased donor organ utilization.

Methyl bromide (MB) use for quarantine and phytosanitary purposes is being phased out. Several effective MB alternatives have been identified depending on the target system. Industry commitment for the shift to new technologies will depend not only on the efficacy of alternatives but also on their compatibility and integrability into existing operations. We compared the efficacy of MB and ethyl formate (EF) for disinfestation of Planococcus citri(Risso) (Hemiptera: Pseudococcidae) as a representative surface pest on banana and evaluated whether EF fumigation is compatible with the current packaging materials and loading ratio used by the South Korean banana import industry. Fumigation trials with P. citriadults and eggs showed that EF was at least as effective as MB at the EF and MB concentrations recommended under the current phytosanitary disinfestation guidelines. From a logistical standpoint, EF gas could not effectively penetrate plastic bagging typically used in banana cartons during commercial shipping. Also, EF sorption to bananas and packing materials (used as cushioning inside bagging) further lowered realized EF concentrations around bananas. These reductions in EF concentration translated into reduced mortality of P. citrieggs, indicating that despite similar efficacy of MB and EF for controlling P. citri, further consideration and optimization of other industry logistics such as packaging and loading ratio is necessary to enhance the adoption of this MB alternative.