UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning.

Predicting UV-visible absorption spectra is essential to understand photochemical processes and design energy materials. Quantum chemical methods can deliver accurate calculations of UV-visible absorption spectra, but they are computationally expensive, especially for large systems or when one computes line shapes from thermal averages. Here, we present an approach to predict UV-visible absorption spectra of solvated aromatic molecules by quantum chemistry (QC) and machine learning (ML).

Topological and thermoelectric properties of double antiperovskite pnictides.

Doubling the perovskite cell (double perovskite) has been found to open new possibilities for engineering functional materials, magnetic materials in particular. This route should be applicable to the antiperovskite (aPV) class. In the pnictide based double aPV (2aPV) class introduced here magnetism is very rare, and we address them as new topological materials, possibly with thermoelectric interest.

(PARVOVIRUSES) AT THE DOMESTIC-WILD CARNIVORE INTERFACE IN INDIA.

(CP1, earlier called ) variants such as canine parvovirus (CPV) and feline parvovirus (FPV) are significant, emerging, multihost pathogens of domestic and wild carnivores. The diversity of CP1 variants was studied between 2008 and 2014 in Wayanad, India, where flagship wildlife species such as tigers () and leopards () coexist alongside domestic carnivores, including dogs () and cats (). Using polymerase chain reaction, FPV and CPV sequences were obtained from the heart blood of a necropsied leopard individual for the first time in the world and from rectal swabs of three sympatric and clinically ill domestic dogs.

2,4,6-Tribromophenol Exposure Decreases P-Glycoprotein Transport at the Blood-Brain Barrier.

2,4,6-Tribromophenol (TBP, CAS No. 118-79-6) is a brominated chemical used in the production of flame-retardant epoxy resins and as a wood preservative. In marine environments, TBP is incorporated into shellfish and consumed by predatory fish.

Inhibition of the potassium channel Kv1.3 reduces infarction and inflammation in ischemic stroke.

Objective: Inhibitors of the voltage-gated K channel Kv1.3 are currently in development as immunomodulators for the treatment of autoimmune diseases. As Kv1.

Incidence of Agrobacterium tumefaciens Biovar 1 in and on 'Paradox' (Juglans hindsii × Juglans regia) Walnut Seed Collected from Commercial Nurseries.

The walnut rootstock 'Paradox' (Juglans hindsii × J. regia) is susceptible to Agrobacterium tumefaciens, which often results in a high incidence of crown gall in nursery or walnut production orchards. Though A.

High-density haplotyping with microarray-based expression and single feature polymorphism markers in Arabidopsis.

Expression microarrays hybridized with RNA can simultaneously provide both phenotypic (gene expression) and genotypic (marker) data. We developed two types of genetic markers from Affymetrix GeneChip expression data to generate detailed haplotypes for 148 recombinant inbred lines (RILs) derived from Arabidopsis thaliana accessions Bayreuth and Shahdara. Gene expression markers (GEMs) are based on differences in transcript levels that exhibit bimodal distributions in segregating progeny, while single feature polymorphism (SFP) markers rely on differences in hybridization to individual oligonucleotide probes.

Molecular characterization of the duplicated meristem identity genes HvAP1a and HvAP1b in barley.

The vernalization gene VRN-1 has been identified as a MADS-box transcription factor orthologous to the meristem identity gene APETALA1 (AP1). A single copy of this gene was found in diploid wheat, but 2 copies were reported in barley. In this study, we present a detailed characterization of these 2 copies to understand their respective roles in the vernalization response.

New communication between dermatologists in the age of the Internet.

Dermatologists may benefit from a free Internet resource, RxDerm-L, which is an e-mall discussion group for our specialty. Initiated in November 1993, enrollment has finally passed the 1,000 mark; its daily communication reaches a significant percentage of practitioners. Proceedings of this group were monitored for 4 weeks, with special attention to authors, content, and participants.

Experimental optimization of pivot point height for swing-arm type rear suspensions in off-road bicycles.

Towards the ultimate goal of designing dual suspension off-road bicycles which decouple the suspension motion from the pedaling action, this study focused on determining experimentally the optimum pivot point height for a swing-arm type rear suspension such that the suspension motion was minimized. Specific objectives were (1) to determine the effect of interaction between the front and rear suspensions on the optimal pivot point height, (2) to investigate the sensitivity of the optimal height to the pedaling mechanics of the rider in both the seated and standing postures, (3) to determine the dependence of the optimal height on the rider posture. Eleven experienced subjects rode a custom-built adjustable dual suspension off-road bicycle, [Needle, S.

Transposon mutagenesis of Xylella fastidiosa by electroporation of Tn5 synaptic complexes.

Pierce's disease, a lethal disease of grapevine, is caused by Xylella fastidiosa, a gram-negative, xylem-limited bacterium that is transmitted from plant to plant by xylem-feeding insects. Strains of X. fastidiosa also have been associated with diseases that cause tremendous losses in many other economically important plants, including citrus.

Primary canine and feline nervous system tumors: intraoperative diagnosis using the smear technique.

The recent application of neuroimaging techniques in veterinary neurology has led to the accurate localization of many types of intracranial lesions but has also created a clinical need, particularly with brain tumors, for a specific intraoperative diagnosis. For human brain tumors, a smear technique has been used successfully for many years to provide an extremely rapid, highly accurate intraoperative diagnosis. In similar smear preparations of intracranial lesions, obtained either by computed tomography (CT)-guided stereobiopsy or from a craniotomy, we have described distinguishing cytologic features of some primary spontaneous nervous system tumors in 80 dogs and 13 cats.

Hemodialysis.

Hemodialysis is a therapeutic procedure that uses the extracorporeal circulation of a patient's blood to ameliorate the azotemia, fluid, electrolyte, and acid-base abnormalities characteristic of the uremic syndrome. Hemodialysis is principally used for the management of acute and chronic renal failure that is refractory to conventional medical therapy. Additional applications include acute intoxications (e.

Fritz Haber: December 9, 1868-January 29, 1934.

Fritz Haber (1868-1934) was a German physical chemist. Nobel laureate and foreign member of the US National Academy of Sciences. His greatest accomplishment in science was the development of a practical method to prepare nitrogen from air (nitrogen fixation or Haber-Bosch process).

Renal transplantation in cats.

Feline renal transplantation can offer long-term survival with a normal quality of life for cats with renal failure. However, it is important to remember that renal transplantation is a treatment option and not a cure. Renal transplantation is never performed on an emergency basis or prophylactically.

Animal models for studies on cold-induced platelet activation in human beings.

When human platelets are chilled below about 20 degrees C, they spontaneously activate, a phenomenon that limits their storage lifetime. We have previously shown that this activation in chilled human platelets is associated with passage through a lipid phase transition. Because animal models are necessary for Investigating methods for cold storage of platelets, it is essential to determine whether such phase transitions and chilling-induced activation are found in these models.

Characterisation of headshaking syndrome--31 cases.

Headshaking is a maturity onset condition with the most commonly reported clinical signs being 'flipping' of the nose, nose rubbing, snorting or sneezing, and acting like a bee is flying up the nostril. A questionnaire was completed by owners of 31 horses with headshaking syndrome. The history, time of onset, clinical presentation and treatment of this condition were reported.

Microorganisms and microbial toxins.

The primary concern in food safety issues focuses on microorganisms and microbial toxins. Effective food preservation requires that the growth and proliferation of hazardous microorganisms be well controlled, and that the presence of significant quantities of microbial toxins in foods be prevented. The traditional effective preservation methodologies, such as canning, are being supplemented by new technologies which are less destructive of the food qualities.

Reference intervals and physiologic alterations in hematologic and biochemical values of free-ranging desert tortoises in the Mojave Desert.

Desert tortoise (Gopherus agassizii) populations have experienced precipitous declines resulting from the cumulative impact of habitat loss, and human and disease-related mortality. Evaluation of hematologic and biochemical responses of desert tortoises to physiologic and environmental factors can facilitate the assessment of stress and disease in tortoises and contribute to management decisions and population recovery. The goal of this study was to obtain and analyze clinical laboratory data from free-ranging desert tortoises at three sites in the Mojave Desert (California, USA) between October 1990 and October 1995, to establish reference intervals, and to develop guidelines for the interpretation of laboratory data under a variety of environmental and physiologic conditions.

Spatial distribution of deoxymyoglobin in human muscle: an index of local tissue oxygenation.

The proximal histidyl NdeltaH signal of myoglobin is detectable in 1H NMR spectra of myocardial and skeletal muscle, and its intensity reflects the intracellular oxygenation. At 1.5 Tesla (T), the typical field strength of clinical magnetic resonance imaging (MRI) magnets, the paramagnetic relaxation contribution decreases sufficiently to permit the implementation of chemical shift imaging technique to map the spatial distribution of the deoxy Mb NdeltaH signal from human gastrocnemius muscle.

Multiple stressors in the Sacramento River watershed.

Aquatic biota in the Sacramento River watershed are stressed by diversion of river flows, by historical mining resulting in cadmium, copper, zinc, and mercury, and, more recently, contamination by agricultural and urban chemical runoff. In addition, the proposed redirection of drainage of saline waters--containing selenium--from the western slope of the San Joaquin River into the Delta formed by the confluence of the Sacramento and San Joaquin Rivers could add to the stress on resident organisms. These combined stressors have led to deterioration in surface water quality and the aquatic habitat.

Characterization of a monoclonal antibody that recognizes a lymphocyte surface antigen for the cetacean homologue to CD45R.

As part of our current efforts to develop assays and reagents to study the immune system of marine mammals, and in view of the effort currently made to develop monoclonal antibodies to cell surface proteins of lymphocyte subsets in different species, the present paper reports on the characterization of a monoclonal antibody against the homologue of CD45R on cetacean lymphocytes. The specificity of this antibody has been characterized on the basis of immunoprecipitation of the antigen it recognized, immunoperoxidase staining on cetacean lymph node and thymus sections, as well as one and two-colour flow cytometric analysis of cetacean peripheral blood mononuclear cells and single-cell suspensions of thymus, lymph node and spleen. Anticetacean CD45R (F21.

Spontaneous leprosy in a wild-caught cynomolgus macaque.

Naturally occurring Mycobacterium leprae has been previously documented in only two species of nonhuman primates from West Africa--the chimpanzee and the sooty mangabey. We report here the first known case of spontaneous leprosy in an Asian macaque. A wild-caught cynomolgus macaque imported from The Philippines developed a reaction to a tuberculin skin test after 3 years at the California Regional Primate Research Center (CRPRC), University of California-Davis, Davis, California, U.