The Computational Chemistry Prototyping Environment

Evolving technologies, as exemplified by computational grids and Web services, have made it possible to solve new scientific problems that would not have been feasible previously. In order to make such advances available to the community in general and to be able to solve new problems, not necessarily from the same discipline, it is imperative to build tools that provide a common user interface in order that application programmers and users do not have to be concerned with particulars of Web services and their underlying code, computational platforms, or with data file formats. We will describe our efforts in creating a computational chemistry environment that encompasses a general scientific workflow environment, a domain specific example for quantum chemistry, our ongoing design of a workflow user interface, and our efforts at database integration.     

Ho:CaF(2) solid-state saturable-absorber Q switch for the 2-µm Tm,Cr:Y(3)Al(5)O(12) laser

The holmium-doped calcium fluoride (Ho:CaF(2)) crystal was shown to be an effective solid-state saturable-absorber Q-switch for a flash-lamp-pumped Tm,Cr:Y(3)Al(5)O(12) laser at 2.017 μm. With a 1-cm-thick Ho(0.5%),Er(5%):CaP(2) saturable absorber and a 6.3% output coupler, a single Q-switched laser pulse of 51 mJ in energy and 60 ns in duration was obtained at a flash-lamp input energy of 85 J. With a 14.6% output coupler, a typical Q-switched laser pulse of 84 mJ and 82 ns was observed.     

Pulsed-ion laser performance in nitrogen, oxygen, krypton, xenon, and argon

Operational parameters for pulsed-ion laser operation in nitrogen, oxygen, krypton, xenon, and argon in the wavelength range from 350 to 460 nm are presented.     

Q-switched 2-micron lasers by use of a Cr2+:ZnSe saturable absorber

Flash-lamp-pumped Ho:YAG (2090-nm) and Tm:YAG (2017-nm) lasers were, for the first time to our knowledge, passively Q switched by use of a Cr(2+):ZnSe saturable absorber. A Q-switched Ho laser with 1.3-mJ pulse energy and ~90-ns pulse duration and a Q-switched Tm laser with ~3.2-mJ pulse energy and 90-ns pulse duration were demonstrated. Compared with the free-running output energies at the Q-switching threshold pump levels, the Q-switching efficiencies were approximately 5% for the Ho:YAG laser and 16% for the Tm:YAG laser.     

The sensory innervation of the hip joint--an anatomical study

Typically obturator nerve blockade is used to relieve hip pain. It sometimes only has a minor effect in resolving symptoms. This clinical observation led us to examine comprehensively the sensory nerve innervation of formalin-fixed hip joint capsules. Following macroscopic preparation, the area of the hip joint capsule was inspected with the aid of an operating microscope. We discovered a separation between the anterior and posterior sensory innervation of the hip joint capsule. The anteromedial innervation was determined by the articular branches of the obturator n. Additionally, the anterior hip joint capsule was innervated by sensory articular branches from the femoral n. In the posterior part we found articular branches from the sciatic n., which in addition to the articular branches from the nerves to the quadratus femoris m., innervate the postero-medial section of the hip joint capsule. Moreover, articular branches of the superior gluteal n. were found, which innervate the posterolateral section of the hip joint capsule. This anatomical study demonstrates that the obturator n. block is insufficient for the treatment of hip pain. Further investigations will determine if these nn. can be reached percutaneously. Effective neural blockade of the hip joint must include the femoral n., the sciatic n. and the superior gluteal n.     

Calcipotriol toxicity in a dog

The article describes the objectives and design of a prospective study of the prevalence, incidence and course of psychiatric disorders in a representative sample of non-institutionalized Dutch adults. A total of 7146 men and women aged 18-64, contacted through a multistage sample of municipalities and households, were interviewed at home in 1996. The primary diagnostic instrument was the CIDI, which determines the lifetime occurrence of DSM-III-R disorders. The disorders included were: mood disorders, anxiety disorders, eating disorders, schizophrenia and other non-affective psychotic disorders, and dependence and abuse of psychoactive substances. Follow-up measurements in the same sample were scheduled at 12 and 36 months. The net response to the first measurement was 69.7%. Poststratification weightings were applied for gender, age, marital status and degree of urbanization. Limitations and advantages of the study design are discussed. Findings are reported elsewhere in this issue.     

A Leu-Leu sequence is essential for COOH-terminal targeting signal of GLUT4 glucose transporter in fibroblasts

In the insulin-responsive tissues, muscle and adipose, the GLUT4 glucose transporter isoform accounts for most of the increase in hexose flux in response to hormone. In these cell types, as well as in fibroblasts transfected with cDNAs encoding the transporters, GLUT1 and GLUT4 are sorted to different subcellular locations. In the latter, GLUT1 is found primarily at the cell surface whereas GLUT4 localizes to the interior of the cell in a perinuclear distribution. The construction and analysis of chimeras of these two transporter isoforms have allowed identification of the COOH-terminal 30 amino acids as a critical sorting signal for differential localization of the transporters. In this study, we show that 2 residues present in the GLUT4 COOH terminus, Leu-489 and Leu-490, are critical for the intracellular sequestration of this isoform in NIH3T3 cells.     

Pudendal nerve terminal motor latency influences surgical outcome in treatment of rectal prolapse

PURPOSE: This study was undertaken to document the effect of pudendal nerve function on anal incontinence after repair of rectal prolapse. METHODS: Patients with full rectal prolapse (n = 24) were prospectively evaluated by anal manometry and pudendal nerve terminal motor latency (PNTML) before and after surgical correction of rectal prolapse (low anterior resection (LAR; n = 13) and retrorectal sacral fixation (RSF; n = 11)). RESULTS: Prolapse was corrected in all patients; there were no recurrences during a mean 25-month follow-up. Postoperative PNTML was prolonged bilaterally (> 2.2 ms) in six patients (3 LAR; 3 RSF); five patients were incontinent (83 percent). PNTML was prolonged unilaterally in eight patients (4 LAR; 4 RSF); three patients were incontinent (38 percent). PNTML was normal in five patients (3 LAR; 2 RSF); one was incontinent (20 percent). Postoperative squeeze pressures were significantly higher for patients with normal PNTML than for those with bilateral abnormal PNTML (145 vs. 66.5 mmHg; P = 0.0151). Patients with unilateral abnormal PNTML had higher postoperative squeeze pressures than those with bilateral abnormal PNTML, but the difference was not significant (94.8 vs. 66.5 mmHg; P = 0.3182). The surgical procedure did not affect postoperative sphincter function or PNTML. CONCLUSION: Injury to the pudendal nerve contributes to postoperative incontinence after repair of rectal prolapse. Status of anal continence after surgical correction of rectal prolapse can be predicted by postoperative measurement of PNTML.