Automatic Orbital Pair Selection for Multilevel Local Coupled-Cluster Based on Orbital Maps.

We present an automatic, orbital-map based orbital-pair selection scheme for multilevel local coupled-cluster approaches that exploits the locality of chemical reactions by focusing on the part of the molecule directly involved in the reaction. The previously introduced pair-selected multilevel extension to domain-based local pair natural orbital coupled-cluster with singles, doubles, and semicanonical perturbative triples [DLPNO-CCSD(T)] partitions the orbital pairs according to relative changes in pair correlation energies [Bensberg, M.; Neugebauer, J.

On the accuracy of orbital based multi-level approaches for closed-shell transition metal chemistry.

In this work, we investigate the accuracy of the local molecular orbital molecular orbital (LMOMO) scheme and projection-based wave function-in-density functional theory (WF-in-DFT) embedding for the prediction of reaction energies and barriers of typical reactions involving transition metals. To analyze the dependence of the accuracy on the system partitioning, we apply a manual orbital selection for LMOMO as well as the so-called direct orbital selection (DOS) for both approaches. We benchmark these methods on 30 closed shell reactions involving 16 different transition metals.

Risk Factors of Proximal Junctional Kyphosis in Adolescent Idiopathic Scoliosis-The Spinous Processes and Proximal Rod Contouring.

Proximal junctional kyphosis (PJK), as one of the most discussed problems after corrective surgery in adolescent idiopathic scoliosis (AIS), is still not fully clarified and seems to be multifactorial. Biomechanical and a few clinical studies have shown the influence of destruction of posterior ligaments by resection of spinous processes and some parameters concerning rod contouring as risk factors for PJK. To verify these results, 192 patients with AIS and corrective surgery via a posterior approach between 2009 and 2017 were included.

Surgeons' non-transparent facemasks challenge the physician-patient relationship in the orthopedic outpatient clinic of a tertiary university hospital during the COVID-19 pandemic: a prospective cohort study of 285 patients.

Background and purpose - Facemasks play a role in preventing the respiratory spread of SARS-CoV-2, but their impact on the physician-patient relationship in the orthopedic outpatient clinic is unclear. We investigated whether the type of surgeons' facemask impacts patients' perception of the physician-patient relationship, influences their understanding of what the surgeon said, or affects their perceived empathy. Patients and methods - All patients with an appointment in the orthopedic outpatient clinic of a tertiary university hospital during the 2-week study period were included.

Effectiveness of Radial Extracorporeal Shockwave Therapy in Patients with Acute Low Back Pain-Randomized Controlled Trial.

The aim of this study was to investigate the effect of radial extracorporeal shockwave therapy (rESWT) primarily on acute lumbar back pain (aLBP), and secondarily on physical function and quality of life. This randomized, placebo-controlled, single-blinded trial with 12-week follow-up (FU) randomized 63 patients with aLBP 1:1 into two groups receiving either rESWT (intervention) or sham rESWT (placebo) with a manipulated shockwave head not delivering any shockwaves. Both, rESWT and sham procedure were carried out eight times for four weeks.

Poor performance of open incisional biopsy for the microbiological diagnosis of periprosthetic knee joint infection.

The accurate preoperative diagnosis of periprosthetic joint infection (PJI) of total knee arthroplasty (TKA) can be difficult despite the use of a combination of serum and synovial markers. In such inconclusive cases, incisional open biopsy might be considered. This study investigates the usefulness of biopsies in patients with inconclusive diagnostic findings.

Invasive diagnostic and therapeutic measures are unnecessary in patients with symptomatic van Neck-Odelberg disease (ischiopubic synchondrosis): a retrospective single-center study of 21 patients with median follow-up of 5 years.

Background and purpose - Van Neck-Odelberg disease (VND) is a self-limiting skeletal phenomenon characterized by a symptomatic or asymptomatic uni- or bilateral overgrowth of the pre-pubescent ischiopubic synchondrosis. It is frequently misinterpreted as a neoplastic, traumatic, or infectious process, often resulting in excessive diagnostic and therapeutic measures. This study assessed the demographic, clinical, and radiographic features of the condition and analyzed diagnostic and therapeutic pathways in a large single-center cohort.

Complications in TLIF spondylodesis-do they influence the outcome for patients? A prospective two-center study.

Purpose: Transforaminal lumbar interbody fusion (TLIF) is a widely accepted surgical procedure for degenerative disk disease. While numerous studies have analyzed complication rates and risk factors this study investigates the extent to which complications after TLIF spondylodesis alter the clinical outcome regarding pain and physical function.

Methods: A prospective clinical two-center study was conducted, including 157 patients undergoing TLIF spondylodesis with 12-month follow-up (FU).

Magnetically Controlled Growing Rods in Treatment of Early-Onset Scoliosis: A Single Center Study With a Minimum of 2-Year-Follow up and Preliminary Results After Converting Surgery.

Study Design: Case series.

Objective: To evaluate complications and radiographic parameters after magnetically controlled growing rod (MCGR) index surgery (IS), during lengthening and following converting surgery (CS) with a minimum of 2-year follow up (FU).

Summary Of Background Data: MCGR are maintaining skeletal growth in treatment of early onset scoliosis (EOS).

Motor deficits following dorsal corticospinal tract transection in rats: voluntary versus skilled locomotion readouts.

Following spinal cord injury, severe deficits result from damages to ascending and descending tracts, such as the corticospinal tract (CST) which is highly relevant for the motor execution in humans. Unfortunately, no curative treatment is available and intensive efforts are deployed in animal models, such as the CST transection model, to identify interventions providing functional regeneration after spinal cord injury. The CatWalk XT is a system for multi-parameter gait analysis of voluntary locomotion.

Cervical Spinal Fusion: 16-Year Trends in Epidemiology, Indications, and In-Hospital Outcomes by Surgical Approach.

Background: The rate of cervical spinal fusion has been increasing significantly. However, there is a paucity of literature describing trends based on surgical approach using complete population databases. We investigated the approach-based trends in epidemiology, indications, and in-hospital outcomes of cervical spinal fusion.

Postoperative Emergency Department Utilization and Hospital Readmission After Cervical Spine Arthrodesis: Rates, Trends, Causes, and Risk Factors.

Study Design: Retrospective state database analysis.

Objective: To quantify the 30- and 90-day emergency department (ED) utilization and inpatient readmission rates after primary cervical arthrodesis, to stratify these findings by surgical approach, and to describe risk factors and conditions precipitating these events.

Summary Of Background Data: Limited data exist on ED utilization and hospital readmission rates after cervical spine arthrodesis.

C2 Bone Erosion Secondary to Iatrogenic Pseudomeningocele: A Case Report and Description of a Novel Surgical Technique.

Background: Pseudomeningoceles are a rare cause of bone erosions. Development of such erosions in the C2 vertebral body and the odontoid process can lead to life-threatening instability. Treatment options to regain stability include atlantoaxial and occipitocervical fusion.

Single-Level Lateral Lumbar Interbody Fusion for the Treatment of Adjacent Segment Disease: A Retrospective Two-Center Study.

Study Design: A retrospective case series.

Objective: The aim of this study was to assess the postoperative outcome after single-level lateral lumbar interbody fusion (LLIF) for adjacent segment disease (ASD).

Summary Of Background Data: Although there is a plethora of literature on ASD following traditional arthrodesis techniques, literature on ASD following LLIF is limited.

Atlantoaxial Fusion: Sixteen Years of Epidemiology, Indications, and Complications in New York State.

Study Design: A retrospective state database analysis.

Objective: The aim of this study was to describe the epidemiology and complications of as well as indications for primary isolated atlantoaxial fusion.

Summary Of Background Data: Atlantoaxial fusion involves unique indications, techniques, and complications.

Demographic, Clinical, and Operative Factors Affecting Long-Term Revision Rates After Cervical Spine Arthrodesis.

Background: Limited data exist on long-term revision rates following cervical spine arthrodeses. The purposes of this study were to define reoperation rates after primary cervical arthrodeses and to identify risk factors for revisions.

Methods: New York State's all-payer health-care database was queried to identify all primary subaxial cervical arthrodeses occurring in the 16 years from 1997 through 2012.

A Novel Radiographic Indicator of Developmental Cervical Stenosis.

Background: Developmental cervical stenosis of the spinal canal predisposes patients to neural compression and loss of function. The Torg-Pavlov ratio has been shown to provide high sensitivity but low specificity for identifying developmental cervical stenosis. A more sensitive and specific radiographic index has not been reported to our knowledge.